cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1739451
title: Materials Data on Li2Mn2SbO6 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: 10.17188/1739452
title: Materials Data on Li7V3P8O29 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: 10.17188/1739453
title: Materials Data on BaEuS2 by Materials Project

description: BaEuS2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba2+ is bonded to six S2- atoms to form BaS6 octahedra that share corners with six equivalent BaS6 octahedra, edges with four equivalent BaS6 octahedra, and edges with eight equivalent EuS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ba–S bond lengths are 3.13 Å. Eu2+ is bonded to six S2- atoms to form EuS6 octahedra that share corners with six equivalent EuS6 octahedra, edges with four equivalent EuS6 octahedra, and edges with eight equivalent BaS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Eu–S bond lengths are 3.13 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Ba2+ and four equivalent Eu2+ atoms to form a mixture of corner and edge-sharing SBa2Eu4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second S2- site, S2- is bonded to four equivalent Ba2+ and two equivalent Eu2+ atoms to form SBa4Eu2 octahedra that share corners with six equivalent SBa4Eu2 octahedra and edges with twelve SBa2Eu4 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1739454
title: Materials Data on Cr5NiAs3 by Materials Project

description: Cr5NiAs3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Cr sites. In the first Cr site, Cr is bonded in a 5-coordinate geometry to two equivalent Ni and five As atoms. Both Cr–Ni bond lengths are 2.83 Å. There are one shorter (2.61 Å) and four longer (2.67 Å) Cr–As bond lengths. In the second Cr site, Cr is bonded in a 5-coordinate geometry to five As atoms. There are one shorter (2.58 Å) and four longer (2.64 Å) Cr–As bond lengths. In the third Cr site, Cr is bonded in a 4-coordinate geometry to four As atoms. There are a spread of Cr–As bond distances ranging from 2.43–2.47 Å. Ni is bonded in a 4-coordinate geometry to two equivalent Cr and four As atoms. There are two shorter (2.37 Å) and two longer (2.38 Å) Ni–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to eight Cr and one Ni atom. In the second As site, As is bonded in a 9-coordinate geometry to seven Cr and two equivalent Ni atoms.
DOI: 10.5066/p9zgvtop
title: Stream classification and gravel bar inventory for Buffalo National River and Ozark National Scenic Riverways, 1982-2014

description: This data release contains numerous shapefiles that describe baseline characterization of the physical attributes of the riverine ecosystems in two national parks - Ozark National Scenic Riverways (ONSR), Missouri, and Buffalo National River (BNR), Arkansas. The individual metadata associated with each shapefile describe in detail the specific process steps, source inputs for the data, and the specific river the data characterizes.
DOI: 10.17188/1739455
title: Materials Data on InCuSnSe4 by Materials Project

description: CuInSnSe4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent InSe4 tetrahedra and corners with four equivalent SnSe4 tetrahedra. All Cu–Se bond lengths are 2.44 Å. In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra and corners with four equivalent SnSe4 tetrahedra. All In–Se bond lengths are 2.65 Å. Sn4+ is bonded to four equivalent Se2- atoms to form SnSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra and corners with four equivalent InSe4 tetrahedra. All Sn–Se bond lengths are 2.60 Å. Se2- is bonded in a trigonal non-coplanar geometry to one Cu1+, one In3+, and one Sn4+ atom.
DOI: 10.17188/1739456
title: Materials Data on SmTa6Br13O3 by Materials Project

description: SmTa6O3Br13 crystallizes in the tetragonal I4_122 space group. The structure is three-dimensional. Sm is bonded in a 5-coordinate geometry to three O and two equivalent Br atoms. There are one shorter (2.23 Å) and two longer (2.32 Å) Sm–O bond lengths. Both Sm–Br bond lengths are 2.86 Å. There are three inequivalent Ta sites. In the first Ta site, Ta is bonded to five Br atoms to form distorted corner-sharing TaBr5 square pyramids. There are a spread of Ta–Br bond distances ranging from 2.59–2.90 Å. In the second Ta site, Ta is bonded in a 1-coordinate geometry to one O and four Br atoms. The Ta–O bond length is 1.99 Å. There are a spread of Ta–Br bond distances ranging from 2.61–2.80 Å. In the third Ta site, Ta is bonded in a 2-coordinate geometry to two O and three Br atoms. There are one shorter (2.00 Å) and one longer (2.03 Å) Ta–O bond lengths. There are a spread of Ta–Br bond distances ranging from 2.64–2.88 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to one Sm and two Ta atoms. In the second O site, O is bonded in a distorted T-shaped geometry to one Sm and two equivalent Ta atoms. There are eight inequivalent Br sites. In the first Br site, Br is bonded in a 2-coordinate geometry to two equivalent Ta atoms. In the second Br site, Br is bonded in a 2-coordinate geometry to two Ta atoms. In the third Br site, Br is bonded in an L-shaped geometry to one Sm and one Ta atom. In the fourth Br site, Br is bonded in a 2-coordinate geometry to two Ta atoms. In the fifth Br site, Br is bonded in a bent 150 degrees geometry to two equivalent Ta atoms. In the sixth Br site, Br is bonded in a 2-coordinate geometry to two Ta atoms. In the seventh Br site, Br is bonded in a bent 120 degrees geometry to two equivalent Ta atoms. In the eighth Br site, Br is bonded in a 2-coordinate geometry to two Ta atoms.
DOI: 10.17188/1739457
title: Materials Data on MgGa by Materials Project

description: MgGa crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to two equivalent Mg and eight Ga atoms to form a mixture of distorted edge, corner, and face-sharing MgMg2Ga8 cuboctahedra. Both Mg–Mg bond lengths are 3.06 Å. There are a spread of Mg–Ga bond distances ranging from 2.91–3.06 Å. In the second Mg site, Mg is bonded to two equivalent Mg and eight Ga atoms to form a mixture of distorted edge, corner, and face-sharing MgMg2Ga8 cuboctahedra. Both Mg–Mg bond lengths are 3.07 Å. There are a spread of Mg–Ga bond distances ranging from 2.88–3.06 Å. In the third Mg site, Mg is bonded to six Mg and six Ga atoms to form a mixture of distorted edge, corner, and face-sharing MgMg6Ga6 cuboctahedra. Both Mg–Mg bond lengths are 3.10 Å. There are two shorter (2.98 Å) and four longer (3.06 Å) Mg–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to eight Mg and four Ga atoms. There are two shorter (2.96 Å) and two longer (3.10 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 12-coordinate geometry to six Mg and two equivalent Ga atoms. In the third Ga site, Ga is bonded in a 12-coordinate geometry to eight Mg atoms.
DOI: 10.17188/1739458
title: Materials Data on YbCuPbSe3 by Materials Project

description: YbCuPbSe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb3+ is bonded to six Se2- atoms to form YbSe6 octahedra that share corners with two equivalent YbSe6 octahedra, edges with two equivalent YbSe6 octahedra, and edges with four equivalent CuSe4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There are two shorter (2.89 Å) and four longer (2.93 Å) Yb–Se bond lengths. Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with two equivalent CuSe4 tetrahedra and edges with four equivalent YbSe6 octahedra. There are two shorter (2.45 Å) and two longer (2.46 Å) Cu–Se bond lengths. Pb2+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are four shorter (3.06 Å) and two longer (3.26 Å) Pb–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to two equivalent Yb3+, two equivalent Cu1+, and two equivalent Pb2+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Yb3+, one Cu1+, and two equivalent Pb2+ atoms.
DOI: 10.17188/1739459
title: Materials Data on Rb2NiH12(SeO7)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: 10.17188/1739460
title: Materials Data on YHoCo4 by Materials Project

description: HoYCo4 is Cubic Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to four equivalent Y and twelve equivalent Co atoms. All Ho–Y bond lengths are 3.07 Å. All Ho–Co bond lengths are 2.94 Å. Y is bonded in a 12-coordinate geometry to four equivalent Ho and twelve equivalent Co atoms. All Y–Co bond lengths are 2.94 Å. Co is bonded to three equivalent Ho, three equivalent Y, and six equivalent Co atoms to form a mixture of corner, edge, and face-sharing CoY3Ho3Co6 cuboctahedra. All Co–Co bond lengths are 2.51 Å.
DOI: 10.17188/1739461
title: Materials Data on ZrMnTlF7 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: 10.17188/1739462
title: Materials Data on ErN7O15 by Materials Project

description: Er(NO3)5N2 crystallizes in the trigonal P3_1 space group. The structure is zero-dimensional and consists of six ammonia molecules and three Er(NO3)5 clusters. In each Er(NO3)5 cluster, Er3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Er–O bond distances ranging from 2.40–2.53 Å. There are five inequivalent N+3.86+ sites. In the first N+3.86+ site, N+3.86+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.23 Å) and two longer (1.28 Å) N–O bond length. In the second N+3.86+ site, N+3.86+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.23 Å) and two longer (1.28 Å) N–O bond length. In the third N+3.86+ site, N+3.86+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.23 Å) and two longer (1.28 Å) N–O bond length. In the fourth N+3.86+ site, N+3.86+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.28 Å. In the fifth N+3.86+ site, N+3.86+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.23 Å) and two longer (1.28 Å) N–O bond length. There are fifteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Er3+ and one N+3.86+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N+3.86+ atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to one Er3+ and one N+3.86+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Er3+ and one N+3.86+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Er3+ and one N+3.86+ atom. In the sixth O2- site, O2- is bonded in a distorted L-shaped geometry to one Er3+ and one N+3.86+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one N+3.86+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Er3+ and one N+3.86+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one N+3.86+ atom. In the tenth O2- site, O2- is bonded in a distorted water-like geometry to one Er3+ and one N+3.86+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one N+3.86+ atom. In the twelfth O2- site, O2- is bonded in a distorted water-like geometry to one Er3+ and one N+3.86+ atom. In the thirteenth O2- site, O2- is bonded in a single-bond geometry to one N+3.86+ atom. In the fourteenth O2- site, O2- is bonded in a distorted L-shaped geometry to one Er3+ and one N+3.86+ atom. In the fifteenth O2- site, O2- is bonded in a distorted single-bond geometry to one Er3+ and one N+3.86+ atom.
DOI: 10.17188/1739463
title: Materials Data on Li3V2Fe3O10 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: 10.17188/1739464
title: Materials Data on BaP2O5 by Materials Project

description: BaP2O5 crystallizes in the orthorhombic Fdd2 space group. The structure is two-dimensional and consists of four BaP2O5 sheets oriented in the (0, 0, 1) direction. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.76–3.28 Å. P4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.72 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ba2+ and two equivalent P4+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one P4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one P4+ atom.
DOI: 10.17188/1739465
title: Materials Data on BaLa2(CoO3)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: 10.17188/1739467
title: Materials Data on Y4Co13Si2(SbO14)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: 10.17188/1739468
title: Materials Data on CrSiO5 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: 10.17188/1739469
title: Materials Data on Li3V(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: 10.17188/1739470
title: Materials Data on KNa2PdF6 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: 10.17188/1739471
title: Materials Data on Lu4CdPd by Materials Project

description: Lu4PdCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 3-coordinate geometry to three equivalent Pd and three equivalent Cd atoms. All Lu–Pd bond lengths are 2.80 Å. All Lu–Cd bond lengths are 3.29 Å. In the second Lu site, Lu is bonded in a distorted bent 150 degrees geometry to two equivalent Pd and two equivalent Cd atoms. Both Lu–Pd bond lengths are 2.81 Å. Both Lu–Cd bond lengths are 3.45 Å. In the third Lu site, Lu is bonded in a 4-coordinate geometry to two equivalent Pd and two equivalent Cd atoms. Both Lu–Pd bond lengths are 3.46 Å. Both Lu–Cd bond lengths are 3.18 Å. Pd is bonded in a 6-coordinate geometry to nine Lu atoms. Cd is bonded to nine Lu and three equivalent Cd atoms to form a mixture of distorted corner and face-sharing CdLu9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.15 Å.
DOI: 10.17188/1739472
title: Materials Data on Nd3Pb3I13O40 by Materials Project

description: Nd3Pb3O40I13 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Nd–O bond distances ranging from 2.45–2.81 Å. Pb4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.33–2.80 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to three equivalent Pb4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Nd3+ and one I+4.54+ atom. The O–I bond length is 1.83 Å. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Nd3+ and one I+4.54+ atom. The O–I bond length is 1.82 Å. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Nd3+, one Pb4+, and one I+4.54+ atom. The O–I bond length is 1.86 Å. In the fifth O2- site, O2- is bonded in a single-bond geometry to one I+4.54+ atom. The O–I bond length is 1.83 Å. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one Nd3+ and one I+4.54+ atom. The O–I bond length is 1.85 Å. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Nd3+ and one I+4.54+ atom. The O–I bond length is 1.84 Å. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nd3+ and one I+4.54+ atom. The O–I bond length is 1.84 Å. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one I+4.54+ atom. The O–I bond length is 1.83 Å. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to one I+4.54+ atom. The O–I bond length is 1.84 Å. In the eleventh O2- site, O2- is bonded in a 2-coordinate geometry to one Nd3+ and one I+4.54+ atom. The O–I bond length is 1.84 Å. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to one Pb4+ and one I+4.54+ atom. The O–I bond length is 1.82 Å. In the thirteenth O2- site, O2- is bonded in a 1-coordinate geometry to one Nd3+, one Pb4+, and one I+4.54+ atom. The O–I bond length is 1.84 Å. In the fourteenth O2- site, O2- is bonded in a 3-coordinate geometry to one Nd3+, one Pb4+, and one I+4.54+ atom. The O–I bond length is 1.86 Å. There are five inequivalent I+4.54+ sites. In the first I+4.54+ site, I+4.54+ is bonded in a 3-coordinate geometry to three O2- atoms. In the second I+4.54+ site, I+4.54+ is bonded in a 3-coordinate geometry to three O2- atoms. In the third I+4.54+ site, I+4.54+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. In the fourth I+4.54+ site, I+4.54+ is bonded in a 3-coordinate geometry to three O2- atoms. In the fifth I+4.54+ site, I+4.54+ is bonded in a 3-coordinate geometry to three O2- atoms.
DOI: 10.17188/1739473
title: Materials Data on Mg3Al by Materials Project

description: AlMg3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight equivalent Mg and four equivalent Al atoms to form MgMg8Al4 cuboctahedra that share corners with four equivalent MgMg8Al4 cuboctahedra, corners with eight equivalent AlMg12 cuboctahedra, edges with twenty-four MgMg8Al4 cuboctahedra, faces with six equivalent AlMg12 cuboctahedra, and faces with twelve MgMg8Al4 cuboctahedra. All Mg–Mg bond lengths are 3.10 Å. All Mg–Al bond lengths are 3.10 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Al atoms to form MgMg8Al4 cuboctahedra that share corners with twelve equivalent MgMg8Al4 cuboctahedra, edges with eight equivalent AlMg12 cuboctahedra, edges with sixteen MgMg8Al4 cuboctahedra, faces with four equivalent AlMg12 cuboctahedra, and faces with fourteen MgMg8Al4 cuboctahedra. All Mg–Mg bond lengths are 3.10 Å. All Mg–Al bond lengths are 3.10 Å. Al is bonded to twelve Mg atoms to form AlMg12 cuboctahedra that share corners with four equivalent AlMg12 cuboctahedra, corners with eight equivalent MgMg8Al4 cuboctahedra, edges with eight equivalent AlMg12 cuboctahedra, edges with sixteen equivalent MgMg8Al4 cuboctahedra, faces with four equivalent AlMg12 cuboctahedra, and faces with fourteen MgMg8Al4 cuboctahedra.
DOI: 10.17188/1739474
title: Materials Data on Sr3Cr by Materials Project

description: Sr3Cr is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded to eight Sr and four equivalent Cr atoms to form distorted SrSr8Cr4 cuboctahedra that share corners with twelve equivalent SrSr8Cr4 cuboctahedra, edges with eight equivalent CrSr12 cuboctahedra, edges with sixteen SrSr8Cr4 cuboctahedra, faces with four equivalent CrSr12 cuboctahedra, and faces with fourteen SrSr8Cr4 cuboctahedra. There are four shorter (3.90 Å) and four longer (3.93 Å) Sr–Sr bond lengths. All Sr–Cr bond lengths are 3.90 Å. In the second Sr site, Sr is bonded to eight equivalent Sr and four equivalent Cr atoms to form distorted SrSr8Cr4 cuboctahedra that share corners with four equivalent SrSr8Cr4 cuboctahedra, corners with eight equivalent CrSr12 cuboctahedra, edges with twenty-four SrSr8Cr4 cuboctahedra, faces with six equivalent CrSr12 cuboctahedra, and faces with twelve SrSr8Cr4 cuboctahedra. All Sr–Cr bond lengths are 3.93 Å. Cr is bonded to twelve Sr atoms to form CrSr12 cuboctahedra that share corners with four equivalent CrSr12 cuboctahedra, corners with eight equivalent SrSr8Cr4 cuboctahedra, edges with eight equivalent CrSr12 cuboctahedra, edges with sixteen equivalent SrSr8Cr4 cuboctahedra, faces with four equivalent CrSr12 cuboctahedra, and faces with fourteen SrSr8Cr4 cuboctahedra.
DOI: 10.17188/1739475
title: Materials Data on Li2Mn3(BO3)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