cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1722689
title: Materials Data on Rb3DyV2O8 by Materials Project

description: Rb3DyV2O8 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.75–3.30 Å. In the second Rb1+ site, Rb1+ is bonded to twelve O2- atoms to form RbO12 cuboctahedra that share edges with six equivalent RbO12 cuboctahedra, edges with six equivalent VO4 tetrahedra, and faces with two equivalent DyO6 octahedra. There are six shorter (3.19 Å) and six longer (3.53 Å) Rb–O bond lengths. Dy3+ is bonded to six equivalent O2- atoms to form DyO6 octahedra that share corners with six equivalent VO4 tetrahedra and faces with two equivalent RbO12 cuboctahedra. All Dy–O bond lengths are 2.28 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent DyO6 octahedra and edges with three equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 16°. There is one shorter (1.68 Å) and three longer (1.77 Å) V–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four Rb1+ and one V5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+, one Dy3+, and one V5+ atom.
DOI: 10.6084/m9.figshare.13684780
title: Additional file 1 of Systematic review on wearable lower-limb exoskeletons for gait training in neuromuscular impairments

description: Additional file 1. Clinical trial identification assessment.
DOI: 10.6084/m9.figshare.13684792.v1
title: Additional file 4 of Systematic review on wearable lower-limb exoskeletons for gait training in neuromuscular impairments

description: Additional file 4. Outcomes measures.
DOI: 10.17188/1722690
title: Materials Data on MnGa2(CuSe2)3 by Materials Project

description: MnGa2(CuSe2)3 is Stannite-like structured and crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Mn2+ is bonded to four Se2- atoms to form MnSe4 tetrahedra that share corners with four equivalent GaSe4 tetrahedra and corners with eight CuSe4 tetrahedra. All Mn–Se bond lengths are 2.47 Å. There are two inequivalent Cu+1.33+ sites. In the first Cu+1.33+ site, Cu+1.33+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with three equivalent MnSe4 tetrahedra, corners with four CuSe4 tetrahedra, and corners with five equivalent GaSe4 tetrahedra. There are three shorter (2.42 Å) and one longer (2.43 Å) Cu–Se bond lengths. In the second Cu+1.33+ site, Cu+1.33+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with two equivalent MnSe4 tetrahedra, corners with four equivalent CuSe4 tetrahedra, and corners with six equivalent GaSe4 tetrahedra. There are two shorter (2.42 Å) and two longer (2.43 Å) Cu–Se bond lengths. Ga3+ is bonded to four Se2- atoms to form GaSe4 tetrahedra that share corners with two equivalent MnSe4 tetrahedra, corners with two equivalent GaSe4 tetrahedra, and corners with eight CuSe4 tetrahedra. There are a spread of Ga–Se bond distances ranging from 2.45–2.48 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two Cu+1.33+ and two equivalent Ga3+ atoms to form corner-sharing SeGa2Cu2 tetrahedra. In the second Se2- site, Se2- is bonded to one Mn2+, two Cu+1.33+, and one Ga3+ atom to form corner-sharing SeMnGaCu2 tetrahedra. In the third Se2- site, Se2- is bonded to one Mn2+, two equivalent Cu+1.33+, and one Ga3+ atom to form corner-sharing SeMnGaCu2 tetrahedra.
DOI: 10.17188/1722691
title: Materials Data on Ce2Mn3Si4Pd by Materials Project

description: Ce2Mn3PdSi4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Ce3+ is bonded in a distorted body-centered cubic geometry to eight Si4- atoms. All Ce–Si bond lengths are 3.10 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing MnSi4 tetrahedra. All Mn–Si bond lengths are 2.41 Å. In the second Mn2+ site, Mn2+ is bonded to four equivalent Si4- atoms to form MnSi4 tetrahedra that share corners with four equivalent MnSi4 tetrahedra and edges with four equivalent PdSi4 tetrahedra. All Mn–Si bond lengths are 2.47 Å. Pd4+ is bonded to four equivalent Si4- atoms to form PdSi4 tetrahedra that share corners with four equivalent PdSi4 tetrahedra and edges with four equivalent MnSi4 tetrahedra. All Pd–Si bond lengths are 2.47 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Ce3+, two equivalent Mn2+, two equivalent Pd4+, and one Si4- atom. The Si–Si bond length is 2.42 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Ce3+, four equivalent Mn2+, and one Si4- atom.
DOI: 10.17188/1722692
title: Materials Data on HfP2O9 by Materials Project

description: (Hf(PO4)2)2O2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four water molecules and two Hf(PO4)2 sheets oriented in the (0, 0, 1) direction. In each Hf(PO4)2 sheet, Hf is bonded to six O atoms to form HfO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Hf–O bond distances ranging from 2.05–2.07 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent HfO6 octahedra. The corner-sharing octahedra tilt angles range from 11–33°. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent HfO6 octahedra. The corner-sharing octahedra tilt angles range from 17–34°. There is three shorter (1.54 Å) and one longer (1.57 Å) P–O bond length. There are eight inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Hf and one P atom. In the second O site, O is bonded in a single-bond geometry to one P atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Hf and one P atom. In the fourth O site, O is bonded in a linear geometry to one Hf and one P atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Hf and one P atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Hf and one P atom. In the seventh O site, O is bonded in a single-bond geometry to one P atom. In the eighth O site, O is bonded in a linear geometry to one Hf and one P atom.
DOI: 10.17188/1722693
title: Materials Data on Yb2Mg by Materials Project

description: MgYb2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight Yb atoms. There are a spread of Mg–Yb bond distances ranging from 3.43–3.54 Å. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to six equivalent Mg and four equivalent Yb atoms. There are two shorter (3.78 Å) and two longer (3.98 Å) Yb–Yb bond lengths. In the second Yb site, Yb is bonded to two equivalent Mg and ten Yb atoms to form a mixture of distorted edge, face, and corner-sharing YbYb10Mg2 cuboctahedra. There are four shorter (3.68 Å) and two longer (3.72 Å) Yb–Yb bond lengths.
DOI: 10.17188/1722694
title: Materials Data on MgScTiS4 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1722695
title: Materials Data on LaMgCu by Materials Project

description: LaCuMg crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to six equivalent La and four Cu atoms. There are two shorter (3.39 Å) and four longer (3.46 Å) Mg–La bond lengths. There are two shorter (2.78 Å) and two longer (3.00 Å) Mg–Cu bond lengths. La is bonded in a 5-coordinate geometry to six equivalent Mg and five Cu atoms. There are four shorter (3.12 Å) and one longer (3.18 Å) La–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent La atoms. In the second Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent La atoms.
DOI: 10.17188/1722696
title: Materials Data on HoPRu2C by Materials Project

description: HoRu2CP crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho3+ is bonded in a 4-coordinate geometry to four equivalent C4- and three equivalent P3- atoms. All Ho–C bond lengths are 2.63 Å. There are one shorter (3.06 Å) and two longer (3.11 Å) Ho–P bond lengths. Ru2+ is bonded in a distorted single-bond geometry to one C4- and three equivalent P3- atoms. The Ru–C bond length is 1.86 Å. There are one shorter (2.42 Å) and two longer (2.46 Å) Ru–P bond lengths. C4- is bonded to four equivalent Ho3+ and two equivalent Ru2+ atoms to form a mixture of corner and edge-sharing CHo4Ru2 octahedra. The corner-sharing octahedral tilt angles are 21°. P3- is bonded in a 9-coordinate geometry to three equivalent Ho3+ and six equivalent Ru2+ atoms.
DOI: 10.17188/1722697
title: Materials Data on CrN2 by Materials Project

description: CrN2 is Keatite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are seven inequivalent Cr6+ sites. In the first Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.72–1.74 Å. In the second Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There is three shorter (1.73 Å) and one longer (1.74 Å) Cr–N bond length. In the third Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.72–1.75 Å. In the fourth Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There is one shorter (1.72 Å) and three longer (1.74 Å) Cr–N bond length. In the fifth Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There is three shorter (1.73 Å) and one longer (1.74 Å) Cr–N bond length. In the sixth Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. All Cr–N bond lengths are 1.73 Å. In the seventh Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There is one shorter (1.72 Å) and three longer (1.73 Å) Cr–N bond length. There are eighteen inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to two equivalent Cr6+ atoms. In the second N3- site, N3- is bonded in a bent 150 degrees geometry to two equivalent Cr6+ atoms. In the third N3- site, N3- is bonded in a bent 150 degrees geometry to two equivalent Cr6+ atoms. In the fourth N3- site, N3- is bonded in a linear geometry to two equivalent Cr6+ atoms. In the fifth N3- site, N3- is bonded in a bent 150 degrees geometry to two equivalent Cr6+ atoms. In the sixth N3- site, N3- is bonded in a bent 150 degrees geometry to two equivalent Cr6+ atoms. In the seventh N3- site, N3- is bonded in a bent 150 degrees geometry to two equivalent Cr6+ atoms. In the eighth N3- site, N3- is bonded in a linear geometry to two Cr6+ atoms. In the ninth N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the tenth N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the eleventh N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the twelfth N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the thirteenth N3- site, N3- is bonded in a linear geometry to two Cr6+ atoms. In the fourteenth N3- site, N3- is bonded in a linear geometry to two equivalent Cr6+ atoms. In the fifteenth N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the sixteenth N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the seventeenth N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the eighteenth N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms.
DOI: 10.17188/1722698
title: Materials Data on V(PO3)3 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1722699
title: Materials Data on LiV(PO3)4 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1722700
title: Materials Data on LiCo2(PO4)2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1722701
title: Materials Data on SmSiOs2C by Materials Project

description: SmOs2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm3+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent C4- atoms. All Sm–C bond lengths are 2.71 Å. Os+1.50- is bonded in a 1-coordinate geometry to three equivalent Si4+ and one C4- atom. All Os–Si bond lengths are 2.50 Å. The Os–C bond length is 1.89 Å. Si4+ is bonded in a 6-coordinate geometry to six equivalent Os+1.50- atoms. C4- is bonded to four equivalent Sm3+ and two equivalent Os+1.50- atoms to form a mixture of edge and corner-sharing CSm4Os2 octahedra. The corner-sharing octahedral tilt angles are 22°.
DOI: 10.17188/1722702
title: Materials Data on CsMgAlF6 by Materials Project

description: CsMgAlF6 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Cs1+ is bonded to six F1- atoms to form distorted CsF6 octahedra that share corners with six equivalent MgF6 octahedra and corners with six equivalent AlF6 octahedra. The corner-sharing octahedra tilt angles range from 66–74°. There are a spread of Cs–F bond distances ranging from 3.03–3.31 Å. Mg2+ is bonded to six F1- atoms to form MgF6 octahedra that share corners with two equivalent MgF6 octahedra, corners with four equivalent AlF6 octahedra, and corners with six equivalent CsF6 octahedra. The corner-sharing octahedra tilt angles range from 40–74°. There are two shorter (1.98 Å) and four longer (2.03 Å) Mg–F bond lengths. Al3+ is bonded to six F1- atoms to form AlF6 octahedra that share corners with two equivalent AlF6 octahedra, corners with four equivalent MgF6 octahedra, and corners with six equivalent CsF6 octahedra. The corner-sharing octahedra tilt angles range from 34–73°. There is four shorter (1.82 Å) and two longer (1.87 Å) Al–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Cs1+ and two equivalent Al3+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Cs1+ and two equivalent Mg2+ atoms. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Cs1+, one Mg2+, and one Al3+ atom.
DOI: 10.17188/1722703
title: Materials Data on Sr3Yb by Materials Project

description: Sr3Yb is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded to eight equivalent Sr and four equivalent Yb atoms to form SrSr8Yb4 cuboctahedra that share corners with four equivalent YbSr12 cuboctahedra, corners with fourteen equivalent SrSr8Yb4 cuboctahedra, edges with six equivalent YbSr12 cuboctahedra, edges with twelve equivalent SrSr8Yb4 cuboctahedra, faces with four equivalent YbSr12 cuboctahedra, and faces with sixteen equivalent SrSr8Yb4 cuboctahedra. There are a spread of Sr–Sr bond distances ranging from 4.15–4.23 Å. There are two shorter (4.17 Å) and two longer (4.19 Å) Sr–Yb bond lengths. Yb is bonded to twelve equivalent Sr atoms to form YbSr12 cuboctahedra that share corners with six equivalent YbSr12 cuboctahedra, corners with twelve equivalent SrSr8Yb4 cuboctahedra, edges with eighteen equivalent SrSr8Yb4 cuboctahedra, faces with eight equivalent YbSr12 cuboctahedra, and faces with twelve equivalent SrSr8Yb4 cuboctahedra.
DOI: 10.17188/1722704
title: Materials Data on CaYb2(GeO3)4 by Materials Project

description: CaYb2(GeO3)4 crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share corners with eight equivalent GeO4 tetrahedra. There are four shorter (2.29 Å) and two longer (2.54 Å) Ca–O bond lengths. There are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six O2- atoms to form YbO6 octahedra that share corners with eight equivalent GeO4 tetrahedra. There are four shorter (2.27 Å) and two longer (2.51 Å) Yb–O bond lengths. In the second Yb3+ site, Yb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.40 Å) and four longer (2.41 Å) Yb–O bond lengths. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent CaO6 octahedra, corners with two equivalent YbO6 octahedra, and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 52–69°. There are a spread of Ge–O bond distances ranging from 1.74–1.82 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ca2+ and two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Yb3+ and two equivalent Ge4+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Ca2+, one Yb3+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Yb3+ and one Ge4+ atom.
DOI: 10.17188/1722705
title: Materials Data on Tb3Ga8Ir3 by Materials Project

description: Tb3Ir3Ga8 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to four equivalent Ir and twelve Ga atoms to form distorted face-sharing TbGa12Ir4 cuboctahedra. All Tb–Ir bond lengths are 3.52 Å. All Tb–Ga bond lengths are 3.22 Å. In the second Tb site, Tb is bonded in a 12-coordinate geometry to four Ir and eight Ga atoms. There are two shorter (3.00 Å) and two longer (3.02 Å) Tb–Ir bond lengths. There are four shorter (3.06 Å) and four longer (3.17 Å) Tb–Ga bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Tb and four equivalent Ga atoms. All Ir–Ga bond lengths are 2.62 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to four Tb and six Ga atoms. There are two shorter (2.57 Å) and four longer (2.61 Å) Ir–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three Tb, three Ir, and three equivalent Ga atoms. There are two shorter (2.67 Å) and one longer (2.72 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Tb, one Ir, and four Ga atoms. The Ga–Ga bond length is 2.56 Å.
DOI: 10.17188/1722706
title: Materials Data on Lu2Fe4Si9 by Materials Project

description: Lu2Fe4Si9 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Lu is bonded in a 6-coordinate geometry to three equivalent Fe and eight Si atoms. All Lu–Fe bond lengths are 3.14 Å. There are a spread of Lu–Si bond distances ranging from 2.83–3.13 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 7-coordinate geometry to ten Si atoms. There are a spread of Fe–Si bond distances ranging from 2.30–2.69 Å. In the second Fe site, Fe is bonded in a 10-coordinate geometry to three equivalent Lu and seven Si atoms. There are a spread of Fe–Si bond distances ranging from 2.31–2.46 Å. There are five inequivalent Si sites. In the first Si site, Si is bonded in a 11-coordinate geometry to one Lu, four equivalent Fe, and six Si atoms. There are three shorter (2.50 Å) and three longer (2.65 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 4-coordinate geometry to one Lu, four equivalent Fe, and six Si atoms. All Si–Si bond lengths are 2.65 Å. In the third Si site, Si is bonded in a 10-coordinate geometry to three equivalent Lu, three equivalent Fe, and four Si atoms. The Si–Si bond length is 2.42 Å. In the fourth Si site, Si is bonded in a 6-coordinate geometry to three equivalent Lu, three equivalent Fe, and three equivalent Si atoms. In the fifth Si site, Si is bonded in a 8-coordinate geometry to six equivalent Fe and eight Si atoms.
DOI: 10.17188/1722707
title: Materials Data on CoO2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1722708
title: Materials Data on LiTlHg2 by Materials Project

description: LiHg2Tl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiHg2Tl ribbons oriented in the (0, 1, 0) direction. Li is bonded in a linear geometry to two equivalent Hg atoms. Both Li–Hg bond lengths are 2.71 Å. Hg is bonded in a linear geometry to one Li and one Tl atom. The Hg–Tl bond length is 3.13 Å. Tl is bonded in a linear geometry to two equivalent Hg atoms.
DOI: 10.17188/1722709
title: Materials Data on Fe6O5F7 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations