HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=59",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=57",
"results": [
{
"id": "mp-6424",
"created_at": "2022-09-04T14:48:26.296182Z",
"structure_string": "K4 Zn2 C8 N8\n1.0\n0.000000 6.348926 6.348926\n6.348926 0.000000 6.348926\n6.348926 6.348926 0.000000\nK Zn C N\n4 2 8 8\ndirect\n0.125000 0.625000 0.125000 K\n0.125000 0.125000 0.625000 K\n0.125000 0.125000 0.125000 K\n0.625000 0.125000 0.125000 K\n0.750000 0.750000 0.750000 Zn\n0.500000 0.500000 0.500000 Zn\n0.408483 0.408483 0.408483 C\n0.841517 0.475449 0.841517 C\n0.408483 0.408483 0.774551 C\n0.774551 0.408483 0.408483 C\n0.841517 0.841517 0.841517 C\n0.475449 0.841517 0.841517 C\n0.408483 0.774551 0.408483 C\n0.841517 0.841517 0.475449 C\n0.315380 0.894873 0.894873 N\n0.894873 0.894873 0.894873 N\n0.934620 0.355127 0.355127 N\n0.894873 0.315380 0.894873 N\n0.355127 0.355127 0.355127 N\n0.355127 0.355127 0.934620 N\n0.355127 0.934620 0.355127 N\n0.894873 0.894873 0.315380 N\n",
"nsites": 22,
"nelements": 4,
"elements": [
"K",
"Zn",
"C",
"N"
],
"chemical_system": "C-K-N-Zn",
"density": 1.6070553106076293,
"density_atomic": 0.04298252155331684,
"volume": 511.83595575495787,
"volume_molar": 14.010673507206766,
"formula_full": "K4 Zn2 C8 N8",
"formula_reduced": "K2Zn(CN)4",
"formula_anonymous": "AB2C4D4",
"energy": -153.43306816,
"energy_per_atom": -6.974230370909091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -150.54506816,
"band_gap": 6.050800000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009878,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:11.847000Z",
"spacegroup": 227
},
{
"id": "mp-16720",
"created_at": "2022-09-04T14:48:25.676390Z",
"structure_string": "Th2 Al4\n1.0\n0.000000 4.029076 4.029076\n4.029076 0.000000 4.029076\n4.029076 4.029076 0.000000\nTh Al\n2 4\ndirect\n0.750000 0.750000 0.750000 Th\n0.500000 0.500000 0.500000 Th\n0.125000 0.125000 0.625000 Al\n0.125000 0.625000 0.125000 Al\n0.125000 0.125000 0.125000 Al\n0.625000 0.125000 0.125000 Al\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Th",
"Al"
],
"chemical_system": "Al-Th",
"density": 7.261067581251925,
"density_atomic": 0.04586747956883614,
"volume": 130.8116350931259,
"volume_molar": 13.12943465960933,
"formula_full": "Th2 Al4",
"formula_reduced": "ThAl2",
"formula_anonymous": "AB2",
"energy": -32.29093042,
"energy_per_atom": -5.381821736666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.29093042,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0255588,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:44.136000Z",
"spacegroup": 227
},
{
"id": "mp-755239",
"created_at": "2022-09-04T14:48:25.233649Z",
"structure_string": "Ga4 Hg2 O8\n1.0\n0.000000 4.418151 4.418151\n4.418151 0.000000 4.418151\n4.418151 4.418151 0.000000\nGa Hg O\n4 2 8\ndirect\n0.125000 0.125000 0.625000 Ga\n0.125000 0.625000 0.125000 Ga\n0.625000 0.125000 0.125000 Ga\n0.125000 0.125000 0.125000 Ga\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n0.895182 0.895182 0.895182 O\n0.314453 0.895182 0.895182 O\n0.354818 0.354818 0.935547 O\n0.354818 0.935547 0.354818 O\n0.895182 0.314453 0.895182 O\n0.895182 0.895182 0.314453 O\n0.935547 0.354818 0.354818 O\n0.354818 0.354818 0.354818 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ga",
"Hg",
"O"
],
"chemical_system": "Ga-Hg-O",
"density": 7.779378751908711,
"density_atomic": 0.08116641714915804,
"volume": 172.4851298323598,
"volume_molar": 7.41949807755247,
"formula_full": "Ga4 Hg2 O8",
"formula_reduced": "Ga2HgO4",
"formula_anonymous": "AB2C4",
"energy": -77.06714744,
"energy_per_atom": -5.504796245714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.57114744,
"band_gap": 0.5638000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.99e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:39.062000Z",
"spacegroup": 227
},
{
"id": "mp-1210982",
"created_at": "2022-09-04T14:48:24.731057Z",
"structure_string": "Li4 Zn8\n1.0\n-4.746381 -4.746381 0.000000\n-4.746381 0.000000 -4.746381\n0.000000 -4.746381 -4.746381\nLi Zn\n4 8\ndirect\n0.875000 0.875000 0.875000 Li\n0.375000 0.875000 0.875000 Li\n0.875000 0.375000 0.875000 Li\n0.875000 0.875000 0.375000 Li\n0.598086 0.598086 0.598086 Zn\n0.205741 0.598086 0.598086 Zn\n0.598086 0.205741 0.598086 Zn\n0.544259 0.151914 0.151914 Zn\n0.151914 0.151914 0.151914 Zn\n0.598086 0.598086 0.205741 Zn\n0.151914 0.544259 0.151914 Zn\n0.151914 0.151914 0.544259 Zn\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Li",
"Zn"
],
"chemical_system": "Li-Zn",
"density": 4.278694552706473,
"density_atomic": 0.056112996336387694,
"volume": 213.8542010492913,
"volume_molar": 10.7321675069681,
"formula_full": "Li4 Zn8",
"formula_reduced": "LiZn2",
"formula_anonymous": "AB2",
"energy": -16.65407517,
"energy_per_atom": -1.3878395975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.65407517,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011802,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:17.319000Z",
"spacegroup": 227
},
{
"id": "mp-14620",
"created_at": "2022-09-04T14:48:24.003991Z",
"structure_string": "Tm4 Cd2 Se8\n1.0\n0.000000 5.850999 5.850999\n5.850999 0.000000 5.850999\n5.850999 5.850999 0.000000\nTm Cd Se\n4 2 8\ndirect\n0.125000 0.125000 0.625000 Tm\n0.125000 0.625000 0.125000 Tm\n0.625000 0.125000 0.125000 Tm\n0.125000 0.125000 0.125000 Tm\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Cd\n0.882833 0.351502 0.882833 Se\n0.367167 0.367167 0.898498 Se\n0.367167 0.367167 0.367167 Se\n0.898498 0.367167 0.367167 Se\n0.882833 0.882833 0.882833 Se\n0.351502 0.882833 0.882833 Se\n0.367167 0.898498 0.367167 Se\n0.882833 0.882833 0.351502 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tm",
"Cd",
"Se"
],
"chemical_system": "Cd-Se-Tm",
"density": 6.3511957308918845,
"density_atomic": 0.034946844565396526,
"volume": 400.6084146968291,
"volume_molar": 17.232287592462555,
"formula_full": "Tm4 Cd2 Se8",
"formula_reduced": "Tm2CdSe4",
"formula_anonymous": "AB2C4",
"energy": -72.54814102,
"energy_per_atom": -5.182010072857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.77214102,
"band_gap": 0.653,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001477,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:35.774000Z",
"spacegroup": 227
},
{
"id": "mp-1194657",
"created_at": "2022-09-04T14:48:23.591683Z",
"structure_string": "Th2 Al40 V4\n1.0\n0.000000 7.280754 7.280754\n7.280754 0.000000 7.280754\n7.280754 7.280754 0.000000\nTh Al V\n2 40 4\ndirect\n0.500000 0.500000 0.500000 Th\n0.750000 0.750000 0.750000 Th\n0.125000 0.625000 0.625000 Al\n0.625000 0.125000 0.625000 Al\n0.625000 0.625000 0.125000 Al\n0.625000 0.625000 0.625000 Al\n0.864048 0.864048 0.135952 Al\n0.135952 0.135952 0.864048 Al\n0.864048 0.135952 0.864048 Al\n0.135952 0.864048 0.135952 Al\n0.135952 0.864048 0.864048 Al\n0.864048 0.135952 0.135952 Al\n0.385952 0.385952 0.114048 Al\n0.114048 0.114048 0.385952 Al\n0.385952 0.114048 0.385952 Al\n0.114048 0.385952 0.114048 Al\n0.114048 0.385952 0.385952 Al\n0.385952 0.114048 0.114048 Al\n0.569058 0.298871 0.298871 Al\n0.298871 0.569058 0.833200 Al\n0.298871 0.833200 0.569058 Al\n0.833200 0.298871 0.298871 Al\n0.298871 0.298871 0.569058 Al\n0.569058 0.833200 0.298871 Al\n0.833200 0.569058 0.298871 Al\n0.298871 0.298871 0.833200 Al\n0.298871 0.569058 0.298871 Al\n0.833200 0.298871 0.569058 Al\n0.569058 0.298871 0.833200 Al\n0.298871 0.833200 0.298871 Al\n0.680942 0.951129 0.951129 Al\n0.951129 0.680942 0.416800 Al\n0.951129 0.416800 0.680942 Al\n0.416800 0.951129 0.951129 Al\n0.951129 0.951129 0.680942 Al\n0.680942 0.416800 0.951129 Al\n0.416800 0.680942 0.951129 Al\n0.951129 0.951129 0.416800 Al\n0.951129 0.680942 0.951129 Al\n0.416800 0.951129 0.680942 Al\n0.680942 0.951129 0.416800 Al\n0.951129 0.416800 0.951129 Al\n0.625000 0.125000 0.125000 V\n0.125000 0.625000 0.125000 V\n0.125000 0.125000 0.625000 V\n0.125000 0.125000 0.125000 V\n",
"nsites": 46,
"nelements": 3,
"elements": [
"Th",
"Al",
"V"
],
"chemical_system": "Al-Th-V",
"density": 3.7584493666495185,
"density_atomic": 0.05959348226307825,
"volume": 771.8964935952362,
"volume_molar": 10.105368123002068,
"formula_full": "Th2 Al40 V4",
"formula_reduced": "Th(Al10V)2",
"formula_anonymous": "AB2C20",
"energy": -210.63209237,
"energy_per_atom": -4.578958529782609,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -210.63209237,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0160555,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:10.900000Z",
"spacegroup": 227
},
{
"id": "mp-1183430",
"created_at": "2022-09-04T14:48:23.344210Z",
"structure_string": "Ca2 Mg4\n1.0\n0.000000 4.397446 4.397446\n4.397446 0.000000 4.397446\n4.397446 4.397446 0.000000\nCa Mg\n2 4\ndirect\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Ca\n0.125000 0.625000 0.125000 Mg\n0.125000 0.125000 0.125000 Mg\n0.625000 0.125000 0.125000 Mg\n0.125000 0.125000 0.625000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.7318585317841868,
"density_atomic": 0.0352792796942614,
"volume": 170.0714995316634,
"volume_molar": 17.06990849073252,
"formula_full": "Ca2 Mg4",
"formula_reduced": "CaMg2",
"formula_anonymous": "AB2",
"energy": -11.03536887,
"energy_per_atom": -1.8392281449999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.03536887,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0090791,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:00.905000Z",
"spacegroup": 227
},
{
"id": "mp-1103898",
"created_at": "2022-09-04T14:48:24.599088Z",
"structure_string": "Cr2 In4 S8\n1.0\n0.000000 5.378568 5.378568\n5.378568 0.000000 5.378568\n5.378568 5.378568 0.000000\nCr In S\n2 4 8\ndirect\n0.250000 0.250000 0.250000 Cr\n0.000000 0.000000 0.000000 Cr\n0.125000 0.625000 0.625000 In\n0.625000 0.125000 0.625000 In\n0.625000 0.625000 0.125000 In\n0.625000 0.625000 0.625000 In\n0.865769 0.378077 0.378077 S\n0.378077 0.865769 0.378077 S\n0.378077 0.378077 0.865769 S\n0.378077 0.378077 0.378077 S\n0.384231 0.871923 0.871923 S\n0.871923 0.384231 0.871923 S\n0.871923 0.871923 0.384231 S\n0.871923 0.871923 0.871923 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cr",
"In",
"S"
],
"chemical_system": "Cr-In-S",
"density": 4.374401627849902,
"density_atomic": 0.04498814113995425,
"volume": 311.19311990346966,
"volume_molar": 13.3860626543018,
"formula_full": "Cr2 In4 S8",
"formula_reduced": "Cr(InS2)2",
"formula_anonymous": "AB2C4",
"energy": -73.96316350000001,
"energy_per_atom": -5.283083107142858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.9391635,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0000608,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:31.115000Z",
"spacegroup": 227
},
{
"id": "mp-1015780",
"created_at": "2022-09-04T14:48:23.173148Z",
"structure_string": "Cr34 N68\n1.0\n0.000000 10.700854 10.700854\n10.700854 0.000000 10.700854\n10.700854 10.700854 0.000000\nCr N\n34 68\ndirect\n0.254418 0.630983 0.860181 Cr\n0.860181 0.254418 0.254418 Cr\n0.630983 0.254418 0.254418 Cr\n0.254418 0.860181 0.630983 Cr\n0.630983 0.254418 0.860181 Cr\n0.254418 0.630983 0.254418 Cr\n0.254418 0.860181 0.254418 Cr\n0.860181 0.254418 0.630983 Cr\n0.254418 0.254418 0.860181 Cr\n0.630983 0.860181 0.254418 Cr\n0.860181 0.630983 0.254418 Cr\n0.254418 0.254418 0.630983 Cr\n0.995582 0.619017 0.389819 Cr\n0.389819 0.995582 0.995582 Cr\n0.619017 0.995582 0.995582 Cr\n0.995582 0.389819 0.619017 Cr\n0.619017 0.995582 0.389819 Cr\n0.995582 0.619017 0.995582 Cr\n0.995582 0.389819 0.995582 Cr\n0.389819 0.995582 0.619017 Cr\n0.995582 0.995582 0.389819 Cr\n0.619017 0.389819 0.995582 Cr\n0.389819 0.619017 0.995582 Cr\n0.995582 0.995582 0.619017 Cr\n0.407546 0.777362 0.407546 Cr\n0.407546 0.407546 0.407546 Cr\n0.777362 0.407546 0.407546 Cr\n0.407546 0.407546 0.777362 Cr\n0.842454 0.472638 0.842454 Cr\n0.842454 0.842454 0.842454 Cr\n0.472638 0.842454 0.842454 Cr\n0.842454 0.842454 0.472638 Cr\n0.500000 0.500000 0.500000 Cr\n0.750000 0.750000 0.750000 Cr\n0.935440 0.625000 0.125000 N\n0.125000 0.314560 0.935440 N\n0.625000 0.935440 0.314560 N\n0.314560 0.125000 0.625000 N\n0.625000 0.314560 0.125000 N\n0.314560 0.625000 0.935440 N\n0.935440 0.125000 0.314560 N\n0.125000 0.935440 0.625000 N\n0.314560 0.935440 0.125000 N\n0.625000 0.125000 0.935440 N\n0.125000 0.625000 0.314560 N\n0.935440 0.314560 0.625000 N\n0.314560 0.625000 0.125000 N\n0.125000 0.935440 0.314560 N\n0.625000 0.314560 0.935440 N\n0.935440 0.125000 0.625000 N\n0.625000 0.935440 0.125000 N\n0.935440 0.625000 0.314560 N\n0.314560 0.125000 0.935440 N\n0.125000 0.314560 0.625000 N\n0.935440 0.314560 0.125000 N\n0.625000 0.125000 0.314560 N\n0.125000 0.625000 0.935440 N\n0.314560 0.935440 0.625000 N\n0.430428 0.919297 0.730978 N\n0.730978 0.919297 0.430428 N\n0.919297 0.430428 0.919297 N\n0.919297 0.730978 0.919297 N\n0.919297 0.919297 0.730978 N\n0.919297 0.919297 0.430428 N\n0.430428 0.730978 0.919297 N\n0.730978 0.430428 0.919297 N\n0.919297 0.430428 0.730978 N\n0.919297 0.730978 0.430428 N\n0.730978 0.919297 0.919297 N\n0.430428 0.919297 0.919297 N\n0.819572 0.330703 0.519022 N\n0.519022 0.330703 0.819572 N\n0.330703 0.819572 0.330703 N\n0.330703 0.519022 0.330703 N\n0.330703 0.330703 0.519022 N\n0.330703 0.330703 0.819572 N\n0.819572 0.519022 0.330703 N\n0.519022 0.819572 0.330703 N\n0.330703 0.819572 0.519022 N\n0.330703 0.519022 0.819572 N\n0.519022 0.330703 0.330703 N\n0.819572 0.330703 0.330703 N\n0.746988 0.746988 0.253012 N\n0.253012 0.253012 0.746988 N\n0.746988 0.253012 0.253012 N\n0.253012 0.746988 0.746988 N\n0.253012 0.746988 0.253012 N\n0.746988 0.253012 0.746988 N\n0.503012 0.503012 0.996988 N\n0.996988 0.996988 0.503012 N\n0.503012 0.996988 0.996988 N\n0.996988 0.503012 0.503012 N\n0.996988 0.503012 0.996988 N\n0.503012 0.996988 0.503012 N\n0.453685 0.638945 0.453685 N\n0.453685 0.453685 0.453685 N\n0.638945 0.453685 0.453685 N\n0.453685 0.453685 0.638945 N\n0.796315 0.611055 0.796315 N\n0.796315 0.796315 0.796315 N\n0.611055 0.796315 0.796315 N\n0.796315 0.796315 0.611055 N\n",
"nsites": 102,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 1.843250070520651,
"density_atomic": 0.04162122517097838,
"volume": 2450.6726935833326,
"volume_molar": 14.468917566124684,
"formula_full": "Cr34 N68",
"formula_reduced": "CrN2",
"formula_anonymous": "AB2",
"energy": -906.61276447,
"energy_per_atom": -8.888360435980392,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -882.06476447,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0577057,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:03.596000Z",
"spacegroup": 227
},
{
"id": "mp-1207443",
"created_at": "2022-09-04T14:48:23.693289Z",
"structure_string": "Zr8 Cr2\n1.0\n-4.876242 -4.876242 0.000000\n-4.876242 0.000000 -4.876242\n0.000000 -4.876242 -4.876242\nZr Cr\n8 2\ndirect\n0.608826 0.608826 0.608826 Zr\n0.173521 0.608826 0.608826 Zr\n0.608826 0.173521 0.608826 Zr\n0.576479 0.141174 0.141174 Zr\n0.141174 0.141174 0.141174 Zr\n0.608826 0.608826 0.173521 Zr\n0.141174 0.576479 0.141174 Zr\n0.141174 0.141174 0.576479 Zr\n0.000000 0.000000 0.000000 Cr\n0.750000 0.750000 0.750000 Cr\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Zr",
"Cr"
],
"chemical_system": "Cr-Zr",
"density": 5.970586717354972,
"density_atomic": 0.04312352482107901,
"volume": 231.89199031132878,
"volume_molar": 13.964862067713783,
"formula_full": "Zr8 Cr2",
"formula_reduced": "Zr4Cr",
"formula_anonymous": "AB4",
"energy": -79.39814309,
"energy_per_atom": -7.939814309000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.39814309,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8732506,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:30.664000Z",
"spacegroup": 227
},
{
"id": "mp-672235",
"created_at": "2022-09-04T14:48:22.805972Z",
"structure_string": "Co2 Ni4 S8\n1.0\n0.000000 4.693517 4.693517\n4.693517 0.000000 4.693517\n4.693517 4.693517 0.000000\nCo Ni S\n2 4 8\ndirect\n0.500000 0.500000 0.500000 Co\n0.750000 0.750000 0.750000 Co\n0.125000 0.125000 0.625000 Ni\n0.125000 0.125000 0.125000 Ni\n0.125000 0.625000 0.125000 Ni\n0.625000 0.125000 0.125000 Ni\n0.357203 0.880932 0.880932 S\n0.892797 0.369068 0.369068 S\n0.369068 0.892797 0.369068 S\n0.369068 0.369068 0.892797 S\n0.880932 0.880932 0.880932 S\n0.880932 0.880932 0.357203 S\n0.880932 0.357203 0.880932 S\n0.369068 0.369068 0.369068 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Co",
"Ni",
"S"
],
"chemical_system": "Co-Ni-S",
"density": 4.891649003246524,
"density_atomic": 0.06770221136608487,
"volume": 206.78792786099805,
"volume_molar": 8.89504292176897,
"formula_full": "Co2 Ni4 S8",
"formula_reduced": "Co(NiS2)2",
"formula_anonymous": "AB2C4",
"energy": -79.7312878,
"energy_per_atom": -5.695091985714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.7072878,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005111,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:11.013000Z",
"spacegroup": 227
},
{
"id": "mp-1400",
"created_at": "2022-09-04T14:48:22.737372Z",
"structure_string": "Hf2 W4\n1.0\n0.000000 3.813462 3.813462\n3.813462 0.000000 3.813462\n3.813462 3.813462 0.000000\nHf W\n2 4\ndirect\n0.000000 0.000000 0.000000 Hf\n0.250000 0.250000 0.250000 Hf\n0.625000 0.625000 0.625000 W\n0.125000 0.625000 0.625000 W\n0.625000 0.125000 0.625000 W\n0.625000 0.625000 0.125000 W\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hf",
"W"
],
"chemical_system": "Hf-W",
"density": 16.35379952578737,
"density_atomic": 0.05409572994075858,
"volume": 110.91448449943705,
"volume_molar": 11.132377299640801,
"formula_full": "Hf2 W4",
"formula_reduced": "HfW2",
"formula_anonymous": "AB2",
"energy": -72.78108055,
"energy_per_atom": -12.130180091666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.78108055,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006117,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:07.859000Z",
"spacegroup": 227
}
]
}