cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1265103
title: Materials Data on FePH4NO4F by Materials Project

description: NH4FePO4F crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional and consists of eight ammonium molecules and one FePO4F framework. In the FePO4F framework, there are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to four O2- and two F1- atoms to form FeO4F2 octahedra that share corners with two equivalent FeO4F2 octahedra and corners with four PO4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Fe–O bond distances ranging from 1.95–2.11 Å. There are one shorter (2.03 Å) and one longer (2.04 Å) Fe–F bond lengths. In the second Fe3+ site, Fe3+ is bonded to four O2- and two F1- atoms to form FeO4F2 octahedra that share corners with two equivalent FeO4F2 octahedra and corners with four PO4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Fe–O bond distances ranging from 1.99–2.09 Å. There is one shorter (1.98 Å) and one longer (2.01 Å) Fe–F bond length. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four FeO4F2 octahedra. The corner-sharing octahedra tilt angles range from 40–49°. There is three shorter (1.55 Å) and one longer (1.56 Å) P–O bond length. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four FeO4F2 octahedra. The corner-sharing octahedra tilt angles range from 40–47°. There are a spread of P–O bond distances ranging from 1.55–1.57 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Fe3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Fe3+ and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Fe3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Fe3+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Fe3+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Fe3+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Fe3+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Fe3+ and one P5+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two Fe3+ atoms. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to two Fe3+ atoms.
DOI: 10.34740/kaggle/dsv/1890589
title: skin care
DOI: 10.17188/1265104
title: Materials Data on BaLaCuSe3 by Materials Project

description: BaLaCuSe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded to seven Se2- atoms to form distorted BaSe7 pentagonal bipyramids that share corners with six equivalent LaSe6 octahedra, corners with three equivalent CuSe4 tetrahedra, edges with four equivalent LaSe6 octahedra, edges with two equivalent BaSe7 pentagonal bipyramids, edges with three equivalent CuSe4 tetrahedra, and faces with two equivalent BaSe7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 21–73°. There are a spread of Ba–Se bond distances ranging from 3.31–3.59 Å. La3+ is bonded to six Se2- atoms to form LaSe6 octahedra that share corners with two equivalent LaSe6 octahedra, corners with six equivalent BaSe7 pentagonal bipyramids, edges with two equivalent LaSe6 octahedra, edges with four equivalent BaSe7 pentagonal bipyramids, and edges with four equivalent CuSe4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. There are a spread of La–Se bond distances ranging from 2.97–3.03 Å. Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with three equivalent BaSe7 pentagonal bipyramids, corners with two equivalent CuSe4 tetrahedra, edges with four equivalent LaSe6 octahedra, and edges with three equivalent BaSe7 pentagonal bipyramids. There are a spread of Cu–Se bond distances ranging from 2.47–2.59 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to three equivalent Ba2+, two equivalent La3+, and one Cu1+ atom. In the second Se2- site, Se2- is bonded to two equivalent Ba2+, two equivalent La3+, and two equivalent Cu1+ atoms to form distorted SeBa2La2Cu2 octahedra that share corners with two equivalent SeBa2La2Cu2 octahedra, corners with four equivalent SeBa2La2Cu square pyramids, edges with two equivalent SeBa2La2Cu2 octahedra, and edges with three equivalent SeBa2La2Cu square pyramids. The corner-sharing octahedral tilt angles are 6°. In the third Se2- site, Se2- is bonded to two equivalent Ba2+, two equivalent La3+, and one Cu1+ atom to form distorted SeBa2La2Cu square pyramids that share corners with four equivalent SeBa2La2Cu2 octahedra, edges with three equivalent SeBa2La2Cu2 octahedra, and edges with two equivalent SeBa2La2Cu square pyramids. The corner-sharing octahedra tilt angles range from 45–84°.
DOI: 10.17188/1265105
title: Materials Data on Ca2SiH2O5 by Materials Project

description: Ca2SiO3(OH)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ca–O bond distances ranging from 2.28–2.39 Å. In the second Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ca–O bond distances ranging from 2.33–2.61 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.63–1.72 Å. 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 0.98 Å. In the second H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.64 Å) H–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ca2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Ca2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Ca2+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Ca2+, one Si4+, and one H1+ atom. In the fifth O2- site, O2- is bonded in a distorted tetrahedral geometry to two Ca2+, one Si4+, and one H1+ atom.
DOI: 10.17188/1265107
title: Materials Data on Cd(BiO2)2 by Materials Project

description: Bi2CdO4 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Cd2+ is bonded to six O2- atoms to form distorted CdO6 pentagonal pyramids that share corners with two equivalent CdO6 pentagonal pyramids, an edgeedge with one CdO6 pentagonal pyramid, and edges with four equivalent BiO5 square pyramids. There are two shorter (2.30 Å) and four longer (2.42 Å) Cd–O bond lengths. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.14 Å) and two longer (2.37 Å) Bi–O bond lengths. In the second Bi3+ site, Bi3+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share corners with two equivalent BiO5 square pyramids and edges with four equivalent CdO6 pentagonal pyramids. There are a spread of Bi–O bond distances ranging from 2.10–2.62 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Cd2+ and one Bi3+ atom. In the second O2- site, O2- is bonded to two equivalent Cd2+ and two equivalent Bi3+ atoms to form distorted OCd2Bi2 tetrahedra that share corners with eight OCd2Bi2 tetrahedra and edges with two equivalent OCdBi3 tetrahedra. In the third O2- site, O2- is bonded to one Cd2+ and three Bi3+ atoms to form a mixture of distorted edge and corner-sharing OCdBi3 tetrahedra.
DOI: 10.17188/1265108
title: Materials Data on VH14SO11 by Materials Project

description: V(H2O)6H2OSO4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four sulfuric acid molecules, four water molecules, and four V(H2O)6 clusters. In two of the V(H2O)6 clusters, V2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 2.16–2.19 Å. 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 0.99 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 0.98 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 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. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one V2+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one V2+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted water-like geometry to one V2+ and two H1+ atoms. In two of the V(H2O)6 clusters, V2+ is bonded in an octahedral geometry to six O2- atoms. There are four shorter (2.16 Å) and two longer (2.23 Å) V–O bond lengths. There are six 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 1.00 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 1.00 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 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. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one V2+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one V2+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted water-like geometry to one V2+ and two H1+ atoms.
DOI: 10.17188/1265110
title: Materials Data on NbTl(PO4)2 by Materials Project

description: NbTl(PO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nb5+ is bonded to six O2- atoms to form distorted NbO6 octahedra that share corners with five PO4 tetrahedra. There are a spread of Nb–O bond distances ranging from 1.77–2.27 Å. Tl1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Tl–O bond distances ranging from 2.60–3.19 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent NbO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 26–35°. There are a spread of P–O bond distances ranging from 1.49–1.64 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent NbO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 15–40°. There are a spread of P–O bond distances ranging from 1.50–1.61 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Nb5+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Nb5+ and two equivalent Tl1+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nb5+, one Tl1+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nb5+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nb5+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb5+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Tl1+ and two P5+ atoms.
DOI: 10.17188/1265112
title: Materials Data on ZnTe by Materials Project

description: ZnTe is Millerite-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Zn2+ is bonded to five equivalent Te2- atoms to form a mixture of distorted edge and corner-sharing ZnTe5 trigonal bipyramids. There are a spread of Zn–Te bond distances ranging from 2.72–2.89 Å. Te2- is bonded in a distorted pentagonal planar geometry to five equivalent Zn2+ atoms.
DOI: 10.17188/1265113
title: Materials Data on K3(FeS2)2 by Materials Project

description: K3Fe2S4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to six S2- atoms. There are a spread of K–S bond distances ranging from 3.13–3.59 Å. In the second K1+ site, K1+ is bonded to six S2- atoms to form distorted KS6 octahedra that share corners with eight equivalent FeS4 tetrahedra, edges with two equivalent FeS4 tetrahedra, and faces with two equivalent KS6 octahedra. There are a spread of K–S bond distances ranging from 3.12–3.32 Å. Fe+2.50+ is bonded to four S2- atoms to form FeS4 tetrahedra that share corners with four equivalent KS6 octahedra, an edgeedge with one KS6 octahedra, and edges with two equivalent FeS4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–64°. There are a spread of Fe–S bond distances ranging from 2.26–2.31 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to four equivalent K1+ and two equivalent Fe+2.50+ atoms. In the second S2- site, S2- is bonded in a 7-coordinate geometry to five K1+ and two equivalent Fe+2.50+ atoms. In the third S2- site, S2- is bonded in a 6-coordinate geometry to four K1+ and two equivalent Fe+2.50+ atoms.
DOI: 10.17188/1265114
title: Materials Data on Rb3(FeS2)2 by Materials Project

description: Rb3Fe2S4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Rb–S bond distances ranging from 3.27–3.94 Å. In the second Rb1+ site, Rb1+ is bonded to six S2- atoms to form distorted RbS6 octahedra that share corners with eight equivalent FeS4 tetrahedra, edges with two equivalent FeS4 tetrahedra, and faces with two equivalent RbS6 octahedra. There are a spread of Rb–S bond distances ranging from 3.25–3.46 Å. Fe+2.50+ is bonded to four S2- atoms to form FeS4 tetrahedra that share corners with four equivalent RbS6 octahedra, an edgeedge with one RbS6 octahedra, and edges with two equivalent FeS4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–64°. There are a spread of Fe–S bond distances ranging from 2.26–2.32 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to four equivalent Rb1+ and two equivalent Fe+2.50+ atoms. In the second S2- site, S2- is bonded in a 7-coordinate geometry to five Rb1+ and two equivalent Fe+2.50+ atoms. In the third S2- site, S2- is bonded in a 6-coordinate geometry to six Rb1+ and two equivalent Fe+2.50+ atoms.
DOI: 10.17188/1265115
title: Materials Data on CrGeTe3 by Materials Project

description: CrGeTe3 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three CrGeTe3 sheets oriented in the (0, 0, 1) direction. Cr2+ is bonded to six equivalent Te2- atoms to form edge-sharing CrTe6 octahedra. All Cr–Te bond lengths are 2.78 Å. Ge4+ is bonded in a trigonal planar geometry to three equivalent Te2- atoms. All Ge–Te bond lengths are 2.63 Å. Te2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cr2+ and one Ge4+ atom.
DOI: 10.17188/1265116
title: Materials Data on In2(SO4)3 by Materials Project

description: In2(SO4)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with six equivalent SO4 tetrahedra. All In–O bond lengths are 2.16 Å. In the second In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with six equivalent SO4 tetrahedra. There are three shorter (2.15 Å) and three longer (2.17 Å) In–O bond lengths. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four InO6 octahedra. The corner-sharing octahedra tilt angles range from 29–46°. There is one shorter (1.48 Å) and three longer (1.49 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one In3+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one In3+ and one S6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one In3+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one In3+ and one S6+ atom.
DOI: 10.6084/m9.figshare.13664524
title: Mathematica code for creating fugrures from Diversity of biological rhythm and food web stability

description: How ecosystem biodiversity is maintained remains a persistent question in the field of ecology. Here, I present a new coexistence theory, i.e. diversity of biological rhythm. Circadian, circalunar and circannual rhythms, which control short- and long-term activities, are identified as universal phenomena in organisms. Analysis of a theoretical food web with diel, monthly and annual cycles in foraging activity for each organism shows that diverse biological cycles play key roles in maintaining complex communities. Each biological rhythm does not have a strong stabilizing effect independently but enhances community persistence when combined with other rhythms. Biological rhythms also mitigate inherent destabilization tendencies caused by food web complexity. Temporal weak interactions due to hybridity of multiple activity cycles play a key role toward coexistence. Polyrhythmic changes in biological activities in response to the Earth's rotation may be a key factor in maintaining biological communities.
DOI: 10.6084/m9.figshare.13664524.v1
title: Mathematica code for creating fugrures from Diversity of biological rhythm and food web stability

description: How ecosystem biodiversity is maintained remains a persistent question in the field of ecology. Here, I present a new coexistence theory, i.e. diversity of biological rhythm. Circadian, circalunar and circannual rhythms, which control short- and long-term activities, are identified as universal phenomena in organisms. Analysis of a theoretical food web with diel, monthly and annual cycles in foraging activity for each organism shows that diverse biological cycles play key roles in maintaining complex communities. Each biological rhythm does not have a strong stabilizing effect independently but enhances community persistence when combined with other rhythms. Biological rhythms also mitigate inherent destabilization tendencies caused by food web complexity. Temporal weak interactions due to hybridity of multiple activity cycles play a key role toward coexistence. Polyrhythmic changes in biological activities in response to the Earth's rotation may be a key factor in maintaining biological communities.
DOI: 10.17188/1265117
title: Materials Data on Ga2(SO4)3 by Materials Project

description: Ga2(SO4)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with six equivalent SO4 tetrahedra. All Ga–O bond lengths are 1.98 Å. In the second Ga3+ site, Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with six equivalent SO4 tetrahedra. All Ga–O bond lengths are 1.98 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four GaO6 octahedra. The corner-sharing octahedra tilt angles range from 28–44°. There is three shorter (1.48 Å) and one longer (1.49 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ga3+ and one S6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Ga3+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ga3+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ga3+ and one S6+ atom.