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Materials Data on Te(HO)6 by Materials Project

Te(OH)6 is Copper structured and crystallizes in the tetragonal I4/m space group. The structure is zero-dimensional and consists of two Te(OH)6 clusters. there are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.96 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. Te6+ is bonded in an octahedral geometry to six O2- atoms. There is two shorter (1.87 Å) and four longer (1.95 Å) Te–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one H1+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one Te6+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Te(HO)6 by Materials Project

Te(OH)6 crystallizes in the orthorhombic Fmm2 space group. The structure is two-dimensional and consists of two Te(OH)6 sheets oriented in the (0, 0, 1) direction. there are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.70 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.04 Å) and one longer (1.52 Å) H–O bond length. Te6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.84–2.12 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent H1+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one H1+ and one Te6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two H1+ and one Te6+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to two equivalent H1+ and one Te6+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Te(HO)6 by Materials Project

Te(OH)6 is Copper structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Te(OH)6 cluster. there are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. Te6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.94–1.97 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one H1+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one H1+ and one Te6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one Te6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one H1+ and one Te6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one H1+ and one Te6+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one Te6+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Te(HO)6 by Materials Project

Te(OH)6 is Copper structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Te(OH)6 cluster. there are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. Te6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.94–1.97 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one H1+ and one Te6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one Te6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one Te6+ atom. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to one H1+ and one Te6+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one Te6+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Te(HO)6 by Materials Project

Te(OH)6 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two Te(OH)6 ribbons oriented in the (1, 0, 1) direction. there are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the third H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the fourth H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.68 Å) H–O bond length. In the fifth H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded in an octahedral geometry to six O2- atoms. All Te–O bond lengths are 1.95 Å. In the second Te6+ site, Te6+ is bonded in an octahedral geometry to six O2- atoms. All Te–O bond lengths are 1.95 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two H1+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one Te6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one Te6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one Te6+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one Te6+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one Te6+ atom.

36 MATERIALS SCIENCE↗

Materials Data on KNaTe(HO)6 by Materials Project

KNaTe(HO)6 crystallizes in the trigonal P31c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to three equivalent H1+ and six O2- atoms. All K–H bond lengths are 2.86 Å. There are three shorter (2.91 Å) and three longer (3.14 Å) K–O bond lengths. Na1+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.43 Å) and three longer (2.57 Å) Na–O bond lengths. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one O2- atom. The H–O bond length is 0.99 Å. Te4+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Te–O bond lengths are 1.89 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Na1+, and one Te4+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one K1+, one Na1+, and two H1+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on CsHoCdTe3 by Materials Project

CsHoCdTe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Cs–Te bond distances ranging from 3.95–4.19 Å. Ho3+ is bonded to six Te2- atoms to form HoTe6 octahedra that share corners with two equivalent HoTe6 octahedra, edges with two equivalent HoTe6 octahedra, and edges with four equivalent CdTe4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There are four shorter (3.12 Å) and two longer (3.17 Å) Ho–Te bond lengths. Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with two equivalent CdTe4 tetrahedra and edges with four equivalent HoTe6 octahedra. There are two shorter (2.82 Å) and two longer (2.88 Å) Cd–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Cs1+, two equivalent Ho3+, and one Cd2+ atom. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent Cs1+, two equivalent Ho3+, and two equivalent Cd2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on HoUTe4 by Materials Project

UHoTe4 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. U5+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.06–3.22 Å. Ho3+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Ho–Te bond distances ranging from 3.06–3.25 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent U5+ and two equivalent Ho3+ atoms to form a mixture of distorted edge and corner-sharing TeHo2U2 trigonal pyramids. In the second Te2- site, Te2- is bonded to two equivalent U5+ and two equivalent Ho3+ atoms to form a mixture of distorted edge and corner-sharing TeHo2U2 trigonal pyramids. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent U5+ and two equivalent Ho3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Ho2Te5 by Materials Project

Ho2Te5 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Ho2Te5 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 9-coordinate geometry to nine Te+1.20- atoms. There are a spread of Ho–Te bond distances ranging from 3.23–3.27 Å. In the second Ho3+ site, Ho3+ is bonded in a 9-coordinate geometry to nine Te+1.20- atoms. There are a spread of Ho–Te bond distances ranging from 3.15–3.30 Å. There are four inequivalent Te+1.20- sites. In the first Te+1.20- site, Te+1.20- is bonded in a 6-coordinate geometry to two equivalent Ho3+ and four equivalent Te+1.20- atoms. All Te–Te bond lengths are 3.10 Å. In the second Te+1.20- site, Te+1.20- is bonded in a 8-coordinate geometry to four equivalent Ho3+ and four equivalent Te+1.20- atoms. All Te–Te bond lengths are 3.10 Å. In the third Te+1.20- site, Te+1.20- is bonded to five Ho3+ atoms to form a mixture of distorted corner and edge-sharing TeHo5 trigonal bipyramids. In the fourth Te+1.20- site, Te+1.20- is bonded in a 5-coordinate geometry to five Ho3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on CsHo2Ag3Te5 by Materials Project

CsHo2Ag3Te5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Cs–Te bond distances ranging from 3.86–3.98 Å. Ho3+ is bonded to six Te2- atoms to form HoTe6 octahedra that share a cornercorner with one HoTe6 octahedra, corners with four equivalent AgAgTe4 tetrahedra, edges with four equivalent HoTe6 octahedra, and edges with five AgTe4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of Ho–Te bond distances ranging from 3.06–3.15 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four Te2- atoms to form AgTe4 tetrahedra that share corners with six AgTe4 tetrahedra and edges with four equivalent HoTe6 octahedra. There are two shorter (2.82 Å) and two longer (2.89 Å) Ag–Te bond lengths. In the second Ag1+ site, Ag1+ is bonded to one Ag1+ and four Te2- atoms to form distorted AgAgTe4 tetrahedra that share corners with four equivalent HoTe6 octahedra, corners with four AgTe4 tetrahedra, edges with three equivalent HoTe6 octahedra, and an edgeedge with one AgAgTe4 tetrahedra. The corner-sharing octahedra tilt angles range from 7–61°. The Ag–Ag bond length is 3.02 Å. There are two shorter (2.88 Å) and two longer (2.91 Å) Ag–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent Cs1+, two equivalent Ho3+, and two equivalent Ag1+ atoms. In the second Te2- site, Te2- is bonded in a 7-coordinate geometry to two equivalent Cs1+, two equivalent Ho3+, and three Ag1+ atoms. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to one Cs1+, three equivalent Ho3+, and two equivalent Ag1+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on HoUTe6 by Materials Project

UHoTe6 crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two UHoTe6 sheets oriented in the (0, 1, 0) direction. U3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of U–Te bond distances ranging from 3.16–3.24 Å. Ho3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are six shorter (3.25 Å) and three longer (3.27 Å) Ho–Te bond lengths. There are six inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent U3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.09 Å. In the second Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent Ho3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.09 Å. In the third Te1- site, Te1- is bonded in a 5-coordinate geometry to one U3+ and four equivalent Ho3+ atoms. In the fourth Te1- site, Te1- is bonded in a 5-coordinate geometry to four equivalent U3+ and one Ho3+ atom. In the fifth Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Ho3+ and four equivalent Te1- atoms. In the sixth Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent U3+ and four equivalent Te1- atoms.

36 MATERIALS SCIENCE↗

Phonon modes and Raman signatures of MnBi 2n Te 3n+1 (n=1,2,3,4) magnetic topological heterostructures

An intrinsic antiferromagnetic topological insulator MnBi 2 Te 4 arises when intercalating a Mn-Te bilayer chain in a topological insulator, Bi 2 Te 3 . We present observations on the inter- and intralayer phonon modes of the generalized MnBi 2n Te 3n+1 (n=1,2,3,4) family using cryogenic low-frequency Raman spectroscopy with various polarization configurations. Two peaks at 66 and 112 cm –1 show abnormal perturbation in Raman linewidths below magnetic transition temperature due to spin-phonon coupling. In MnBi 4 Te 7 , B i2 Te 3 layers induce Davydov splitting of the A1g mode around 137 cm –1 at 5 K. The out-of-plane interlayer force constant estimated using the linear chain model was (3.98±0.14)×10 19 N/m 3 , three times weaker than that of Bi 2 Te 3 . Adding more Bi 2 Te 3 layers, such as MnBi 6 Te 10 and MnBi 8 Te 13 , makes Bi 2 Te 3 properties more dominant than magnetic properties. Our work experimentally and theoretically discovers the dynamics of phonon modes of MnBi 2n Te 3n+ 1 family, facilitating utilization of magnetic topological heterostructures.

74 ATOMIC AND MOLECULAR PHYSICS↗

Materials Data on HoTe2ClO5 by Materials Project

HoTe2O5Cl crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one HoTe2O5Cl sheet oriented in the (0, 0, 1) direction. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 6-coordinate geometry to six O2- and one Cl1- atom. There are a spread of Ho–O bond distances ranging from 2.28–2.36 Å. The Ho–Cl bond length is 2.88 Å. In the second Ho3+ site, Ho3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.30–2.56 Å. There are four inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- and one Cl1- atom. There are a spread of Te–O bond distances ranging from 1.89–2.55 Å. The Te–Cl bond length is 3.20 Å. In the second Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- and one Cl1- atom. There are a spread of Te–O bond distances ranging from 1.89–2.59 Å. The Te–Cl bond length is 3.14 Å. In the third Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- and one Cl1- atom. There are a spread of Te–O bond distances ranging from 1.92–2.35 Å. The Te–Cl bond length is 3.01 Å. In the fourth Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- and one Cl1- atom. There are a spread of Te–O bond distances ranging from 1.91–2.36 Å. The Te–Cl bond length is 3.09 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two Te4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ho3+ and one Te4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ho3+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te4+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Ho3+ and two Te4+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ho3+ and one Te4+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one Ho3+ and two Te4+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ho3+ and one Te4+ atom. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ho3+ and two Te4+ atoms. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ho3+ and two Te4+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Ho3+ atom. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Te4+ atoms.

36 MATERIALS SCIENCE↗

Highly Efficient Room‐Temperature Spin‐Orbit‐Torque Switching in a Van der Waals Heterostructure of Topological Insulator and Ferromagnet

Abstract All‐Van der Waals (vdW)‐material‐based heterostructures with atomically sharp interfaces offer a versatile platform for high‐performing spintronic functionalities at room temperature. One of the key components is vdW topological insulators (TIs), which can produce a strong spin‐orbit‐torque (SOT) through the spin‐momentum locking of their topological surface state (TSS). However, the relatively low conductance of the TSS introduces a current leakage problem through the bulk states of the TI or the adjacent ferromagnetic metal layers, reducing the interfacial charge‐to‐spin conversion efficiency ( q ICS ). Here, a vdW heterostructure is used consisting of atomically‐thin layers of a bulk‐insulating TI Sn‐doped Bi 1.1 Sb 0.9 Te 2 S 1 and a room‐temperature ferromagnet Fe 3 GaTe 2, to enhance the relative current ratio on the TSS up to ≈20%. The resulting q ICS reaches ≈1.65 nm −1 and the critical current density J c ≈0.9 × 10 6 Acm −2 at 300 K, surpassing the performance of TI‐based and heavy‐metal‐based SOT devices. These findings demonstrate that an all‐vdW heterostructure with thickness optimization offers a promising platform for efficient current‐controlled magnetization switching at room temperature.

2D ferromagnet↗

The Atacama Cosmology Telescope: DR6 power spectra, likelihoods and ΛCDM parameters

We present power spectra of the cosmic microwave background (CMB) anisotropy in temperature and polarization, measured from the Data Release 6 maps made from Atacama Cosmology Telescope (ACT) data. These cover 19,000 deg 2 of sky in bands centered at 98, 150 and 220 GHz, with white noise levels three times lower than Planck in polarization. We find that the ACT angular power spectra estimated over 10,000 deg 2 , and measured to arcminute scales in TT, TE and EE, are well fit by the sum of CMB and foregrounds, where the CMB spectra are described by the ΛCDM model. Combining ACT with larger-scale Planck data, the joint P-ACT dataset provides tight limits on the ingredients, expansion rate, and initial conditions of the universe. We find similar constraining power, and consistent results, from either the Planck power spectra or from ACT combined with WMAP data, as well as from either temperature or polarization in the joint P-ACT dataset. When combined with CMB lensing from ACT and Planck, and baryon acoustic oscillation data from the Dark Energy Spectroscopic Instrument (DESI DR1), we measure a baryon density of Ω b h 2 = 0.0226 ± 0.0001, a cold dark matter density of Ω c h 2 = 0.118 ± 0.001, a Hubble constant of H 0 = 68.22 ± 0.36 km/s/Mpc, a spectral index of n s = 0.974 ± 0.003, and an amplitude of density fluctuations of σ 8 = 0.813 ± 0.005. Including the DESI DR2 data tightens the Hubble constant to H 0 = 68.43 ± 0.27 km/s/Mpc; ΛCDM parameters agree between the P-ACT and DESI DR2 data at the 1.6σ level. We find no evidence for excess lensing in the power spectrum, and no departure from spatial flatness. The contribution from Sunyaev-Zel'dovich (SZ) anisotropy is detected at high significance; we find evidence for a tilt with suppressed small-scale power compared to our baseline SZ template spectrum, consistent with hydrodynamical simulations with feedback.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗