cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1697884
title: Materials Data on TbGaNi by Materials Project

description: TbNiGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to six equivalent Ni and six equivalent Ga atoms. There are a spread of Tb–Ni bond distances ranging from 2.85–3.27 Å. There are a spread of Tb–Ga bond distances ranging from 3.01–3.10 Å. Ni is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.51–2.66 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Ni atoms.
DOI: 10.17188/1697886
title: Materials Data on SmMnSi2 by Materials Project

description: SmMnSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm is bonded in a 10-coordinate geometry to four equivalent Mn and ten Si atoms. There are two shorter (3.27 Å) and two longer (3.28 Å) Sm–Mn bond lengths. There are a spread of Sm–Si bond distances ranging from 3.04–3.12 Å. Mn is bonded to four equivalent Sm and four equivalent Si atoms to form a mixture of edge and face-sharing MnSm4Si4 tetrahedra. There are two shorter (2.36 Å) and two longer (2.38 Å) Mn–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent Sm, four equivalent Mn, and one Si atom. The Si–Si bond length is 2.45 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Sm and three Si atoms. Both Si–Si bond lengths are 2.35 Å.
DOI: 10.17188/1697887
title: Materials Data on NaC2 by Materials Project

description: NaC2 crystallizes in the cubic P4_332 space group. The structure is three-dimensional. Na1+ is bonded in a 2-coordinate geometry to eight equivalent C+0.50- atoms. There are two shorter (2.19 Å) and six longer (2.44 Å) Na–C bond lengths. C+0.50- is bonded in a 7-coordinate geometry to four equivalent Na1+ and three equivalent C+0.50- atoms. All C–C bond lengths are 1.65 Å.
DOI: 10.17188/1697888
title: Materials Data on CeSe2 by Materials Project

description: CeSe2 is Low Tridymite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ce4+ is bonded to four Se2- atoms to form corner-sharing CeSe4 tetrahedra. There are one shorter (2.72 Å) and three longer (2.73 Å) Ce–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a bent 150 degrees geometry to two equivalent Ce4+ atoms. In the second Se2- site, Se2- is bonded in a bent 150 degrees geometry to two equivalent Ce4+ atoms. In the third Se2- site, Se2- is bonded in a linear geometry to two equivalent Ce4+ atoms.
DOI: 10.17188/1697889
title: Materials Data on TiCrCuS4 by Materials Project

description: CuCrTiS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ti4+ is bonded to six S2- atoms to form TiS6 octahedra that share corners with six equivalent CuS4 tetrahedra, edges with two equivalent TiS6 octahedra, and edges with four equivalent CrS6 octahedra. There are two shorter (2.43 Å) and four longer (2.44 Å) Ti–S bond lengths. Cr3+ is bonded to six S2- atoms to form CrS6 octahedra that share corners with six equivalent CuS4 tetrahedra, edges with two equivalent CrS6 octahedra, and edges with four equivalent TiS6 octahedra. All Cr–S bond lengths are 2.41 Å. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with six equivalent TiS6 octahedra and corners with six equivalent CrS6 octahedra. The corner-sharing octahedra tilt angles range from 56–58°. All Cu–S bond lengths are 2.27 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ti4+, one Cr3+, and one Cu1+ atom. In the second S2- site, S2- is bonded to one Ti4+, two equivalent Cr3+, and one Cu1+ atom to form a mixture of distorted edge and corner-sharing STiCr2Cu trigonal pyramids.
DOI: 10.17188/1697890
title: Materials Data on LiSbN2 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: 10.17188/1697891
title: Materials Data on Fe3(OF2)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: 10.17188/1697892
title: Materials Data on As3W by Materials Project

description: WAs3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. W3+ is bonded in a distorted body-centered cubic geometry to fourteen As1- atoms. There are eight shorter (2.80 Å) and six longer (3.23 Å) W–As bond lengths. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded in a body-centered cubic geometry to four equivalent W3+ and four equivalent As1- atoms. All As–As bond lengths are 2.80 Å. In the second As1- site, As1- is bonded in a 8-coordinate geometry to six equivalent W3+ and eight equivalent As1- atoms.
DOI: 10.5281/zenodo.3885003
title: List and date of establishment of Marine Protected Areas and Key Biodiversity Areas of the Alboran Sea

description: List of Marine Protected Areas and Key Biodiversity Areas for the Alboran Sea (Abbreviation in Spanish, French and English with lenguage among brackets- Fr: French; S: Spanish), indicating its figure of conservation, year of establishment for each figure of protection and national or regional management body (in brackets). IBA: Importante Bird Area; IMMA: Important Marine Mammals Area; MR: Marine Reserve; MR/FR: Marine and Fishing Reserve; NA: Natural Area; NM: Natural monument; NP: Natural Park; SPAMI: Specially Protected Areas of Mediterranean Importance; RAMSAR: Wetlands of International Importance (Ramsar Sites); SCI: Site of Community Importance of Natura 2000; SAC: Special Area of Conservation of Natura 2000; SPA: Special Protection Area of Natura 2000; ZEPA: Zona de Especial Protección para las Aves; ZEPIM: Zonas Especialmente Protegidas de Importancia para el Mediterráneo; LIC: Lugar de Importancia Comunitaria de Natura 2000; ZEC: Zona de Especial Conservación de Natura 2000; ASPIM: Aire Spécialement Protégée d'Importance Méditerranéenne; SIC: Site d'Importance Communautaire; ZPS: Zones de Protection Spéciale.
DOI: 10.17188/1697894
title: Materials Data on Co3Ag2(P2O7)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: 10.5281/zenodo.3885002
title: List and date of establishment of Marine Protected Areas and Key Biodiversity Areas of the Alboran Sea

description: List of Marine Protected Areas and Key Biodiversity Areas for the Alboran Sea (Abbreviation in Spanish, French and English with lenguage among brackets- Fr: French; S: Spanish), indicating its figure of conservation, year of establishment for each figure of protection and national or regional management body (in brackets). IBA: Importante Bird Area; IMMA: Important Marine Mammals Area; MR: Marine Reserve; MR/FR: Marine and Fishing Reserve; NA: Natural Area; NM: Natural monument; NP: Natural Park; SPAMI: Specially Protected Areas of Mediterranean Importance; RAMSAR: Wetlands of International Importance (Ramsar Sites); SCI: Site of Community Importance of Natura 2000; SAC: Special Area of Conservation of Natura 2000; SPA: Special Protection Area of Natura 2000; ZEPA: Zona de Especial Protección para las Aves; ZEPIM: Zonas Especialmente Protegidas de Importancia para el Mediterráneo; LIC: Lugar de Importancia Comunitaria de Natura 2000; ZEC: Zona de Especial Conservación de Natura 2000; ASPIM: Aire Spécialement Protégée d'Importance Méditerranéenne; SIC: Site d'Importance Communautaire; ZPS: Zones de Protection Spéciale.
DOI: 10.17188/1697895
title: Materials Data on Mn3Cr3P2 by Materials Project

description: Cr3Mn3P2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are three inequivalent Cr sites. In the first Cr site, Cr is bonded in a 2-coordinate geometry to two P atoms. There are one shorter (2.35 Å) and one longer (2.38 Å) Cr–P bond lengths. In the second Cr site, Cr is bonded in a 2-coordinate geometry to one Mn and two P atoms. The Cr–Mn bond length is 2.44 Å. Both Cr–P bond lengths are 2.36 Å. In the third Cr site, Cr is bonded in a 3-coordinate geometry to three P atoms. There are a spread of Cr–P bond distances ranging from 2.31–2.41 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to one Cr and three P atoms. There are a spread of Mn–P bond distances ranging from 2.26–2.34 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to four P atoms. There are a spread of Mn–P bond distances ranging from 2.25–2.34 Å. In the third Mn site, Mn is bonded in a 4-coordinate geometry to four P atoms. There are a spread of Mn–P bond distances ranging from 2.25–2.32 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to four Cr and five Mn atoms. In the second P site, P is bonded in a 9-coordinate geometry to three Cr and six Mn atoms.
DOI: 10.17188/1697896
title: Materials Data on Ba2LuBiO6 by Materials Project

description: Ba2LuBiO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent LuO6 octahedra, and faces with four equivalent BiO6 octahedra. All Ba–O bond lengths are 3.05 Å. Lu3+ is bonded to six equivalent O2- atoms to form LuO6 octahedra that share corners with six equivalent BiO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Lu–O bond lengths are 2.18 Å. Bi5+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with six equivalent LuO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–O bond lengths are 2.13 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Lu3+, and one Bi5+ atom.
DOI: 10.17188/1697897
title: Materials Data on RbSm3F10 by Materials Project

description: RbSm3F10 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to sixteen F1- atoms to form distorted edge-sharing RbF16 tetrahedra. There are four shorter (2.90 Å) and twelve longer (3.34 Å) Rb–F bond lengths. Sm3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.29 Å) and four longer (2.44 Å) Sm–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Rb1+ and two equivalent Sm3+ atoms. In the second F1- site, F1- is bonded to one Rb1+ and three equivalent Sm3+ atoms to form a mixture of distorted corner and edge-sharing FRbSm3 tetrahedra.
DOI: 10.17188/1697898
title: Materials Data on Mg4Si3 by Materials Project

description: Mg4Si3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Mg sites. In the first Mg site, Mg is bonded to four Si atoms to form a mixture of distorted corner and edge-sharing MgSi4 tetrahedra. There are a spread of Mg–Si bond distances ranging from 2.66–2.75 Å. In the second Mg site, Mg is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Mg–Si bond distances ranging from 2.62–2.82 Å. In the third Mg site, Mg is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.81–2.96 Å. In the fourth Mg site, Mg is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Mg–Si bond distances ranging from 2.71–3.06 Å. In the fifth Mg site, Mg is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Mg–Si bond distances ranging from 2.76–3.09 Å. In the sixth Mg site, Mg is bonded to five Si atoms to form a mixture of distorted corner and edge-sharing MgSi5 tetrahedra. There are a spread of Mg–Si bond distances ranging from 2.66–3.12 Å. In the seventh Mg site, Mg is bonded in a 4-coordinate geometry to five Si atoms. There are a spread of Mg–Si bond distances ranging from 2.67–3.09 Å. In the eighth Mg site, Mg is bonded in a 4-coordinate geometry to five Si atoms. There are a spread of Mg–Si bond distances ranging from 2.76–3.05 Å. There are six inequivalent Si sites. In the first Si site, Si is bonded in a 6-coordinate geometry to five Mg and one Si atom. The Si–Si bond length is 2.41 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to seven Mg and one Si atom. The Si–Si bond length is 2.40 Å. In the third Si site, Si is bonded in a 7-coordinate geometry to six Mg and one Si atom. The Si–Si bond length is 2.49 Å. In the fourth Si site, Si is bonded in a 8-coordinate geometry to eight Mg atoms. In the fifth Si site, Si is bonded in a 8-coordinate geometry to six Mg and two Si atoms. In the sixth Si site, Si is bonded in a 9-coordinate geometry to eight Mg and one Si atom.
DOI: 10.17188/1697899
title: Materials Data on SrTiO3 by Materials Project

description: SrTiO3 is (Cubic) Perovskite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent TiO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.74–2.84 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–4°. All Ti–O bond lengths are 1.97 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Ti4+ atoms.
DOI: 10.17188/1697901
title: Materials Data on ZnN3Cl5 by Materials Project

description: ZnNCl4N2Cl crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of four N2Cl clusters and two ZnNCl4 sheets oriented in the (0, 0, 1) direction. In each N2Cl cluster, N1+ is bonded in a single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.50 Å. Cl1- is bonded in a bent 150 degrees geometry to two equivalent N1+ atoms. In each ZnNCl4 sheet, Zn2+ is bonded in a 3-coordinate geometry to four Cl1- atoms. There are a spread of Zn–Cl bond distances ranging from 2.21–3.08 Å. N1+ is bonded in a trigonal planar geometry to three Cl1- atoms. There is one shorter (1.60 Å) and two longer (2.33 Å) N–Cl bond length. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Zn2+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one N1+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Zn2+ and one N1+ atom.
DOI: 10.17188/1697902
title: Materials Data on Mg2VCr3S8 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: 10.17188/1697904
title: Materials Data on Li4Mn3Co3(SnO8)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: 10.17188/1697905
title: Materials Data on ErTmAg2 by Materials Project

description: TmErAg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All Tm–Ag bond lengths are 3.12 Å. Er is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All Er–Ag bond lengths are 3.12 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Er atoms.
DOI: 10.6084/m9.figshare.12986099
title: Tonsil_Multicycle

description: Montage image of CODEX multiplexed imaging of human tonsil (7x9 region) across best focus plane imaged with all channels and cycles.
DOI: 10.17188/1697906
title: Materials Data on Mo4N2O15 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: 10.17188/1697907
title: Materials Data on RbTeOF4 by Materials Project

description: RbTeOF4 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 9-coordinate geometry to two O and seven F atoms. There are one shorter (3.08 Å) and one longer (3.39 Å) Rb–O bond lengths. There are a spread of Rb–F bond distances ranging from 2.86–3.22 Å. In the second Rb site, Rb is bonded in a 9-coordinate geometry to two O and seven F atoms. There are one shorter (3.03 Å) and one longer (3.33 Å) Rb–O bond lengths. There are a spread of Rb–F bond distances ranging from 2.85–3.20 Å. There are two inequivalent Te sites. In the first Te site, Te is bonded in a square pyramidal geometry to one O and four F atoms. The Te–O bond length is 1.95 Å. There are a spread of Te–F bond distances ranging from 2.02–2.05 Å. In the second Te site, Te is bonded in a square pyramidal geometry to one O and four F atoms. The Te–O bond length is 1.94 Å. There are a spread of Te–F bond distances ranging from 2.02–2.04 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two Rb and one Te atom. In the second O site, O is bonded in a distorted single-bond geometry to two Rb and one Te atom. There are eight inequivalent F sites. In the first F site, F is bonded in a 1-coordinate geometry to two equivalent Rb and one Te atom. In the second F site, F is bonded in a distorted bent 120 degrees geometry to one Rb and one Te atom. In the third F site, F is bonded in a distorted trigonal planar geometry to two equivalent Rb and one Te atom. In the fourth F site, F is bonded in a distorted trigonal non-coplanar geometry to two Rb and one Te atom. In the fifth F site, F is bonded in a distorted trigonal non-coplanar geometry to two Rb and one Te atom. In the sixth F site, F is bonded in a 3-coordinate geometry to two equivalent Rb and one Te atom. In the seventh F site, F is bonded in a 1-coordinate geometry to two equivalent Rb and one Te atom. In the eighth F site, F is bonded in a distorted bent 120 degrees geometry to one Rb and one Te atom.
DOI: 10.17188/1697910
title: Materials Data on Ba6Ga2Co11O26 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: 10.17188/1697911
title: Materials Data on MgV2O4 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: 10.17188/1697912
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 six inequivalent Cr6+ sites. In the first Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There is two shorter (1.72 Å) and two longer (1.74 Å) Cr–N bond length. In the second 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 1.71–1.74 Å. 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 1.70–1.76 Å. In the fourth 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 fifth 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 1.71–1.76 Å. In the sixth 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 thirteen inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the second N3- site, N3- is bonded in a linear geometry to two Cr6+ atoms. In the third N3- site, N3- is bonded in a linear geometry to two Cr6+ atoms. In the fourth N3- site, N3- is bonded in a bent 150 degrees geometry to two 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 Cr6+ atoms. In the eighth N3- site, N3- is bonded in a linear geometry to two equivalent Cr6+ atoms. In the ninth N3- site, N3- is bonded in a bent 150 degrees geometry to two equivalent Cr6+ atoms. In the tenth N3- site, N3- is bonded in a linear 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 linear geometry to two Cr6+ atoms. In the thirteenth N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms.