cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1722661
title: Materials Data on Li3Mn2CoO6 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: 10.17188/1722662
title: Materials Data on KTbH(SO4)2 by Materials Project

description: KTbH(SO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.66–3.24 Å. Tb4+ is bonded in a 7-coordinate geometry to one H1+ and seven O2- atoms. The Tb–H bond length is 2.76 Å. There are a spread of Tb–O bond distances ranging from 2.26–2.45 Å. H1+ is bonded in a single-bond geometry to one Tb4+ atom. There are two inequivalent S5+ sites. In the first S5+ site, S5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. In the second S5+ site, S5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.50 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Tb4+, and one S5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Tb4+, and one S5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Tb4+, and one S5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Tb4+, and one S5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+, one Tb4+, and one S5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+ and one S5+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Tb4+, and one S5+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+, one Tb4+, and one S5+ atom.
DOI: 10.17188/1722663
title: Materials Data on Li2MnBAsO7 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: 10.17188/1722665
title: Materials Data on Ho2AgSb3 by Materials Project

description: (HoSb)2AgSb crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one antimony molecule, one silver molecule, and two HoSb clusters. In each HoSb cluster, Ho3+ is bonded in a single-bond geometry to one Sb+2.33- atom. The Ho–Sb bond length is 2.62 Å. Sb+2.33- is bonded in a single-bond geometry to one Ho3+ atom.
DOI: 10.17188/1722666
title: Materials Data on K4B10H4O19 by Materials Project

description: K4B10H4O19 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to one H1+ and eight O2- atoms. The K–H bond length is 2.91 Å. There are a spread of K–O bond distances ranging from 2.83–3.13 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.75–3.06 Å. There are five inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of B–O bond distances ranging from 1.46–1.52 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.38 Å) and one longer (1.39 Å) B–O bond length. In the third B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.53 Å. In the fourth B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.42 Å. In the fifth B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.39 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one O2- atom. The H–O bond length is 1.00 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. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+ and two B3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+ and two B3+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two K1+, one B3+, and one H1+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two B3+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+ and two B3+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two K1+ and two B3+ atoms. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent K1+ and two B3+ atoms. In the eighth O2- site, O2- is bonded in a water-like geometry to two equivalent B3+ atoms. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two K1+ and two B3+ atoms. In the tenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two K1+, one B3+, and one H1+ atom.
DOI: 10.17188/1722667
title: Materials Data on SbSe2NCl8 by Materials Project

description: N2(SbCl6)2(SeCl)4 crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of twelve ammonia molecules, twenty-four chloroselenurane molecules, and twelve SbCl6 clusters. In each SbCl6 cluster, Sb3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.39–2.46 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom.
DOI: 10.17188/1722668
title: Materials Data on Nd2Y by Materials Project

description: Nd2Y is beta-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd is bonded to nine equivalent Nd and three equivalent Y atoms to form NdNd9Y3 cuboctahedra that share corners with six equivalent YNd6Y6 cuboctahedra, corners with nine equivalent NdNd9Y3 cuboctahedra, edges with six equivalent YNd6Y6 cuboctahedra, edges with fifteen equivalent NdNd9Y3 cuboctahedra, faces with seven equivalent YNd6Y6 cuboctahedra, and faces with twelve equivalent NdNd9Y3 cuboctahedra. There are six shorter (3.65 Å) and three longer (3.75 Å) Nd–Nd bond lengths. All Nd–Y bond lengths are 3.61 Å. Y is bonded to six equivalent Nd and six equivalent Y atoms to form YNd6Y6 cuboctahedra that share corners with six equivalent YNd6Y6 cuboctahedra, corners with twelve equivalent NdNd9Y3 cuboctahedra, edges with six equivalent YNd6Y6 cuboctahedra, edges with twelve equivalent NdNd9Y3 cuboctahedra, faces with six equivalent YNd6Y6 cuboctahedra, and faces with fourteen equivalent NdNd9Y3 cuboctahedra. All Y–Y bond lengths are 3.65 Å.
DOI: 10.17188/1722669
title: Materials Data on U11S20 by Materials Project

description: U11S20 crystallizes in the tetragonal P4 space group. The structure is three-dimensional. there are five inequivalent U+3.64+ sites. In the first U+3.64+ site, U+3.64+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.72–3.03 Å. In the second U+3.64+ site, U+3.64+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.73–3.09 Å. In the third U+3.64+ site, U+3.64+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (2.77 Å) and four longer (2.80 Å) U–S bond lengths. In the fourth U+3.64+ site, U+3.64+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (2.78 Å) and four longer (2.82 Å) U–S bond lengths. In the fifth U+3.64+ site, U+3.64+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (2.77 Å) and four longer (2.81 Å) U–S bond lengths. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to four U+3.64+ atoms. In the second S2- site, S2- is bonded to four U+3.64+ atoms to form distorted SU4 trigonal pyramids that share corners with four SU4 tetrahedra, corners with two equivalent SU5 trigonal bipyramids, a cornercorner with one SU4 trigonal pyramid, an edgeedge with one SU4 tetrahedra, an edgeedge with one SU5 trigonal bipyramid, and edges with two equivalent SU4 trigonal pyramids. In the third S2- site, S2- is bonded in a 5-coordinate geometry to five U+3.64+ atoms. In the fourth S2- site, S2- is bonded to five U+3.64+ atoms to form distorted SU5 trigonal bipyramids that share corners with four SU4 tetrahedra, corners with two equivalent SU4 trigonal pyramids, an edgeedge with one SU4 tetrahedra, an edgeedge with one SU5 trigonal bipyramid, an edgeedge with one SU4 trigonal pyramid, and faces with two equivalent SU5 trigonal bipyramids. In the fifth S2- site, S2- is bonded to four U+3.64+ atoms to form SU4 tetrahedra that share corners with six equivalent SU5 trigonal bipyramids, corners with six equivalent SU4 trigonal pyramids, and edges with two equivalent SU4 tetrahedra. In the sixth S2- site, S2- is bonded to four U+3.64+ atoms to form SU4 tetrahedra that share corners with two equivalent SU5 trigonal bipyramids, corners with two equivalent SU4 trigonal pyramids, edges with two equivalent SU4 tetrahedra, edges with two equivalent SU5 trigonal bipyramids, and edges with two equivalent SU4 trigonal pyramids.
DOI: 10.17188/1722671
title: Materials Data on Fe3OF5 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: 10.17188/1722672
title: Materials Data on Ce(NF3)2 by Materials Project

description: CeF4(NF)2 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of eight monofluoroamine molecules and two CeF4 ribbons oriented in the (1, 0, 0) direction. In each CeF4 ribbon, there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded to six F1- atoms to form edge-sharing CeF6 octahedra. There are a spread of Ce–F bond distances ranging from 2.03–2.30 Å. In the second Ce4+ site, Ce4+ is bonded to six F1- atoms to form edge-sharing CeF6 octahedra. There are a spread of Ce–F bond distances ranging from 2.03–2.30 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a water-like geometry to two Ce4+ atoms. In the second F1- site, F1- is bonded in a water-like geometry to two Ce4+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Ce4+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Ce4+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Ce4+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Ce4+ atom. In the seventh F1- site, F1- is bonded in a water-like geometry to two Ce4+ atoms. In the eighth F1- site, F1- is bonded in a water-like geometry to two Ce4+ atoms.
DOI: 10.17188/1722674
title: Materials Data on K2NaMnF6 by Materials Project

description: K2NaMnF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent MnF6 octahedra. All K–F bond lengths are 2.99 Å. Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent MnF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.27 Å. Mn3+ is bonded to six equivalent F1- atoms to form MnF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–F bond lengths are 1.96 Å. F1- is bonded in a distorted linear geometry to four equivalent K1+, one Na1+, and one Mn3+ atom.
DOI: 10.17188/1722675
title: Materials Data on H2 by Materials Project

description: H2 is Cubic alpha N2-like structured and crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of sixteen hydrogen molecules. H is bonded in a single-bond geometry to one H atom. The H–H bond length is 0.75 Å.
DOI: 10.17188/1722676
title: Materials Data on Cs3As2Cl9 by Materials Project

description: Cs3As2Cl9 crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded to twelve Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with six equivalent AsCl6 octahedra. There are a spread of Cs–Cl bond distances ranging from 3.66–3.90 Å. In the second Cs1+ site, Cs1+ is bonded to twelve Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve CsCl12 cuboctahedra, faces with six CsCl12 cuboctahedra, and faces with five equivalent AsCl6 octahedra. There are a spread of Cs–Cl bond distances ranging from 3.65–3.87 Å. As3+ is bonded to six Cl1- atoms to form AsCl6 octahedra that share corners with three equivalent AsCl6 octahedra and faces with eight CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 5°. There are three shorter (2.35 Å) and three longer (2.75 Å) As–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four Cs1+ and two equivalent As3+ atoms to form a mixture of distorted corner and face-sharing ClCs4As2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Cs1+ and one As3+ atom.
DOI: 10.17188/1722677
title: Materials Data on Pr2W2O9 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: 10.17188/1722678
title: Materials Data on Os by Materials Project

description: Os is High pressure (38.9 GPa) phase of lithium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Os sites. In the first Os site, Os is bonded in a 11-coordinate geometry to eleven Os atoms. There are a spread of Os–Os bond distances ranging from 2.60–2.76 Å. In the second Os site, Os is bonded in a 11-coordinate geometry to eleven Os atoms. There are three shorter (2.72 Å) and two longer (2.81 Å) Os–Os bond lengths.
DOI: 10.17188/1722679
title: Materials Data on CoHO2 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: 10.17188/1722680
title: Materials Data on Li3FePCO7 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: 10.17188/1722682
title: Materials Data on TbLu by Materials Project

description: LuTb crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Lu is bonded to six equivalent Lu and six equivalent Tb atoms to form LuTb6Lu6 cuboctahedra that share corners with eighteen equivalent LuTb6Lu6 cuboctahedra, edges with six equivalent LuTb6Lu6 cuboctahedra, edges with twelve equivalent TbTb6Lu6 cuboctahedra, faces with eight equivalent LuTb6Lu6 cuboctahedra, and faces with twelve equivalent TbTb6Lu6 cuboctahedra. All Lu–Lu bond lengths are 3.56 Å. All Lu–Tb bond lengths are 3.50 Å. Tb is bonded to six equivalent Lu and six equivalent Tb atoms to form TbTb6Lu6 cuboctahedra that share corners with eighteen equivalent TbTb6Lu6 cuboctahedra, edges with six equivalent TbTb6Lu6 cuboctahedra, edges with twelve equivalent LuTb6Lu6 cuboctahedra, faces with eight equivalent TbTb6Lu6 cuboctahedra, and faces with twelve equivalent LuTb6Lu6 cuboctahedra. All Tb–Tb bond lengths are 3.56 Å.
DOI: 10.17188/1722683
title: Materials Data on Ba2HgSb by Materials Project

description: Ba2HgSb crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ba2HgSb ribbons oriented in the (0, 1, 0) direction. Ba is bonded in a linear geometry to one Hg and one Sb atom. The Ba–Hg bond length is 3.79 Å. The Ba–Sb bond length is 3.08 Å. Hg is bonded in a linear geometry to two equivalent Ba atoms. Sb is bonded in a linear geometry to two equivalent Ba atoms.
DOI: 10.17188/1722684
title: Materials Data on Ni(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: 10.17188/1722685
title: Materials Data on PrTeAs by Materials Project

description: PrAsTe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to four equivalent As1- and five equivalent Te2- atoms. There are a spread of Pr–As bond distances ranging from 3.11–3.31 Å. There are a spread of Pr–Te bond distances ranging from 3.22–3.33 Å. As1- is bonded in a 6-coordinate geometry to four equivalent Pr3+ and two equivalent As1- atoms. Both As–As bond lengths are 2.65 Å. Te2- is bonded in a 5-coordinate geometry to five equivalent Pr3+ atoms.
DOI: 10.17188/1722686
title: Materials Data on Ta3Ir by Materials Project

description: Ta3Ir is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded to four equivalent Ta and four equivalent Ir atoms to form a mixture of distorted edge, corner, and face-sharing TaTa4Ir4 tetrahedra. All Ta–Ta bond lengths are 2.81 Å. All Ta–Ir bond lengths are 2.81 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to eight equivalent Ta and six equivalent Ir atoms. All Ta–Ir bond lengths are 3.24 Å. Ir is bonded in a distorted body-centered cubic geometry to fourteen Ta atoms.
DOI: 10.17188/1722687
title: Materials Data on CaTiBi(PO4)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: 10.17188/1722688
title: Materials Data on Zn3P4H28C8(NO6)2 by Materials Project

description: Zn3P4(HO3)4(N(CH3)4)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional and consists of sixteen tetramethylammonium molecules and one Zn3P4(HO3)4 framework. In the Zn3P4(HO3)4 framework, there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with four equivalent PHO3 tetrahedra. There is two shorter (1.96 Å) and two longer (1.97 Å) Zn–O bond length. In the second Zn2+ site, Zn2+ is bonded to four equivalent O2- atoms to form ZnO4 tetrahedra that share corners with four equivalent PHO3 tetrahedra. All Zn–O bond lengths are 1.97 Å. P5+ is bonded to one H1+ and three O2- atoms to form distorted PHO3 tetrahedra that share corners with three ZnO4 tetrahedra. The P–H bond length is 1.42 Å. There is one shorter (1.53 Å) and two longer (1.54 Å) P–O bond length. H1+ is bonded in a single-bond geometry to one P5+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Zn2+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Zn2+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Zn2+ and one P5+ atom.
DOI: 10.6084/m9.figshare.13684780.v1
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.13684786
title: Additional file 2 of Systematic review on wearable lower-limb exoskeletons for gait training in neuromuscular impairments

description: Additional file 2. Wearable lower-limb exoskeletons.
DOI: 10.6084/m9.figshare.13684786.v1
title: Additional file 2 of Systematic review on wearable lower-limb exoskeletons for gait training in neuromuscular impairments

description: Additional file 2. Wearable lower-limb exoskeletons.
DOI: 10.6084/m9.figshare.13684789
title: Additional file 3 of Systematic review on wearable lower-limb exoskeletons for gait training in neuromuscular impairments

description: Additional file 3. Clinical evidence of wearable lower-limb exoskeletons.
DOI: 10.6084/m9.figshare.13684789.v1
title: Additional file 3 of Systematic review on wearable lower-limb exoskeletons for gait training in neuromuscular impairments

description: Additional file 3. Clinical evidence of wearable lower-limb exoskeletons.
DOI: 10.6084/m9.figshare.13684792
title: Additional file 4 of Systematic review on wearable lower-limb exoskeletons for gait training in neuromuscular impairments

description: Additional file 4. Outcomes measures.