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=-nelements&page=12122",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=12120",
"results": [
{
"id": "mp-849057",
"created_at": "2022-09-04T14:48:15.318282Z",
"structure_string": "Fe2 S2\n1.0\n1.673002 -2.897724 0.000000\n1.673002 2.897724 0.000000\n0.000000 0.000000 5.299104\nFe S\n2 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.333333 0.666667 0.264733 S\n0.666667 0.333333 0.735267 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"S"
],
"chemical_system": "Fe-S",
"density": 5.682395484413268,
"density_atomic": 0.07785277095427336,
"volume": 51.37903186964778,
"volume_molar": 7.735294050788623,
"formula_full": "Fe2 S2",
"formula_reduced": "FeS",
"formula_anonymous": "AB",
"energy": -27.16510916,
"energy_per_atom": -6.79127729,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.15910916,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9175223,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:48.851000Z",
"spacegroup": 164
},
{
"id": "mp-12065",
"created_at": "2022-09-04T14:48:15.473328Z",
"structure_string": "Ag3 Pt1\n1.0\n4.104004 0.000000 0.000000\n0.000000 4.104004 0.000000\n0.000000 0.000000 4.104004\nAg Pt\n3 1\ndirect\n0.000000 0.500000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.500000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ag",
"Pt"
],
"chemical_system": "Ag-Pt",
"density": 12.460414061673449,
"density_atomic": 0.057867759139655264,
"volume": 69.12311897798898,
"volume_molar": 10.406728806391925,
"formula_full": "Ag3 Pt1",
"formula_reduced": "Ag3Pt",
"formula_anonymous": "AB3",
"energy": -14.51806915,
"energy_per_atom": -3.6295172875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.51806915,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000607,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:29.441000Z",
"spacegroup": 221
},
{
"id": "mp-980196",
"created_at": "2022-09-04T14:48:13.664957Z",
"structure_string": "Yb1 Tm3\n1.0\n-2.498882 2.498882 5.039909\n2.498882 -2.498882 5.039909\n2.498882 2.498882 -5.039909\nYb Tm\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.750000 0.250000 0.500000 Tm\n0.250000 0.750000 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Tm"
],
"chemical_system": "Tm-Yb",
"density": 8.967746178063003,
"density_atomic": 0.03177501817025532,
"volume": 125.88505783277287,
"volume_molar": 18.952438446242468,
"formula_full": "Yb1 Tm3",
"formula_reduced": "YbTm3",
"formula_anonymous": "AB3",
"energy": -14.44926589,
"energy_per_atom": -3.6123164725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.44926589,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0422773,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:41.049000Z",
"spacegroup": 139
},
{
"id": "mp-2673",
"created_at": "2022-09-04T14:48:13.642103Z",
"structure_string": "Yb1 Pb1\n1.0\n3.564859 0.000000 0.000000\n0.000000 3.564859 0.000000\n0.000000 0.000000 4.581978\nYb Pb\n1 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Yb",
"Pb"
],
"chemical_system": "Pb-Yb",
"density": 10.84349254336546,
"density_atomic": 0.03434727458906156,
"volume": 58.22878303820158,
"volume_molar": 17.53309638697752,
"formula_full": "Yb1 Pb1",
"formula_reduced": "YbPb",
"formula_anonymous": "AB",
"energy": -6.35362072,
"energy_per_atom": -3.17681036,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.35362072,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.14e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:35.800000Z",
"spacegroup": 123
},
{
"id": "mp-1235059",
"created_at": "2022-09-04T14:48:15.420940Z",
"structure_string": "Li1 O8\n1.0\n4.680267 0.030675 1.916040\n1.982558 4.453103 1.541215\n0.569716 -0.340467 5.069074\nLi O\n1 8\ndirect\n0.495530 0.803706 0.803706 Li\n0.842098 0.333358 0.820393 O\n0.150600 0.233297 0.699617 O\n0.150600 0.699617 0.233297 O\n0.842098 0.820393 0.333358 O\n0.838017 0.255822 0.255822 O\n0.153713 0.741225 0.741225 O\n0.142059 0.152549 0.152549 O\n0.843618 0.864795 0.864795 O\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Li",
"O"
],
"chemical_system": "Li-O",
"density": 2.2038983803088397,
"density_atomic": 0.08852307716082258,
"volume": 101.66840431506266,
"volume_molar": 6.802904906998876,
"formula_full": "Li1 O8",
"formula_reduced": "LiO8",
"formula_anonymous": "AB8",
"energy": -45.3362327,
"energy_per_atom": -5.037359188888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.0482327,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0222966,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:07.188000Z",
"spacegroup": 8
},
{
"id": "mp-1094639",
"created_at": "2022-09-04T14:48:15.352061Z",
"structure_string": "Mg1 Ga5\n1.0\n1.596159 -7.124899 0.000000\n1.596159 7.124899 0.000000\n0.000000 0.000000 5.005344\nMg Ga\n1 5\ndirect\n0.778672 0.221328 0.500000 Mg\n0.999535 0.000465 0.000000 Ga\n0.334514 0.665486 0.000000 Ga\n0.664770 0.335230 0.000000 Ga\n0.108312 0.891688 0.500000 Ga\n0.447530 0.552470 0.500000 Ga\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 5.439337209852929,
"density_atomic": 0.05270265096561181,
"volume": 113.84626560654353,
"volume_molar": 11.426637274715864,
"formula_full": "Mg1 Ga5",
"formula_reduced": "MgGa5",
"formula_anonymous": "AB5",
"energy": -16.75459124,
"energy_per_atom": -2.7924318733333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.75459124,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0497608,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:04.140000Z",
"spacegroup": 38
},
{
"id": "mp-1184373",
"created_at": "2022-09-04T14:48:13.635578Z",
"structure_string": "Fe6 S2\n1.0\n2.583578 -4.474888 0.000000\n2.583578 4.474888 0.000000\n0.000000 0.000000 4.254747\nFe S\n6 2\ndirect\n0.161770 0.323539 0.250000 Fe\n0.676461 0.838230 0.250000 Fe\n0.161770 0.838230 0.250000 Fe\n0.838230 0.676461 0.750000 Fe\n0.323539 0.161770 0.750000 Fe\n0.838230 0.161770 0.750000 Fe\n0.333333 0.666667 0.750000 S\n0.666667 0.333333 0.250000 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Fe",
"S"
],
"chemical_system": "Fe-S",
"density": 6.738017675766112,
"density_atomic": 0.08131721623417677,
"volume": 98.38015085220889,
"volume_molar": 7.405738955275448,
"formula_full": "Fe6 S2",
"formula_reduced": "Fe3S",
"formula_anonymous": "AB3",
"energy": -58.96484147,
"energy_per_atom": -7.37060518375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.95884147,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.5869201,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:40.124000Z",
"spacegroup": 194
},
{
"id": "mp-676024",
"created_at": "2022-09-04T14:48:16.351273Z",
"structure_string": "Li27 Sb10\n1.0\n11.574613 3.970505 0.000000\n-11.574613 3.970505 0.000000\n0.000000 2.549345 7.534937\nLi Sb\n27 10\ndirect\n0.418364 0.818331 0.643674 Li\n0.800189 0.199811 0.500000 Li\n0.581636 0.181669 0.356326 Li\n0.025603 0.213699 0.617032 Li\n0.933127 0.342812 0.113643 Li\n0.181669 0.581636 0.356326 Li\n0.398280 0.601720 0.500000 Li\n0.645658 0.645658 0.616966 Li\n0.213699 0.025603 0.617032 Li\n0.512477 0.722937 0.118580 Li\n0.786301 0.974397 0.382968 Li\n0.066873 0.657188 0.886357 Li\n0.818331 0.418364 0.643674 Li\n0.657188 0.066873 0.886357 Li\n0.899489 0.100511 0.000000 Li\n0.117533 0.117533 0.144708 Li\n0.601720 0.398280 0.500000 Li\n0.354342 0.354342 0.383034 Li\n0.199811 0.800189 0.500000 Li\n0.277063 0.487523 0.881420 Li\n0.500000 0.500000 0.000000 Li\n0.722937 0.512477 0.118580 Li\n0.974397 0.786301 0.382968 Li\n0.100511 0.899489 0.000000 Li\n0.342812 0.933127 0.113643 Li\n0.882467 0.882467 0.855292 Li\n0.487523 0.277063 0.881420 Li\n0.441187 0.048536 0.735343 Sb\n0.048536 0.441187 0.735343 Sb\n0.951464 0.558813 0.264657 Sb\n0.651022 0.852584 0.751798 Sb\n0.558813 0.951464 0.264657 Sb\n0.260664 0.260664 0.760452 Sb\n0.147416 0.348978 0.248202 Sb\n0.852584 0.651022 0.751798 Sb\n0.739336 0.739336 0.239547 Sb\n0.348978 0.147416 0.248202 Sb\n",
"nsites": 37,
"nelements": 2,
"elements": [
"Li",
"Sb"
],
"chemical_system": "Li-Sb",
"density": 3.368726382805603,
"density_atomic": 0.053424427440510514,
"volume": 692.5670853693371,
"volume_molar": 11.27226074010023,
"formula_full": "Li27 Sb10",
"formula_reduced": "Li27Sb10",
"formula_anonymous": "A10B27",
"energy": -117.30236319,
"energy_per_atom": -3.17033414027027,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -115.38236319,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0726609,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:45.260000Z",
"spacegroup": 12
},
{
"id": "mp-1186202",
"created_at": "2022-09-04T14:48:13.579416Z",
"structure_string": "Na1 Y3\n1.0\n-2.435620 2.435620 5.502914\n2.435620 -2.435620 5.502914\n2.435620 2.435620 -5.502914\nNa Y\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.750000 0.250000 0.500000 Y\n0.250000 0.750000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Y"
],
"chemical_system": "Na-Y",
"density": 3.6841455943085517,
"density_atomic": 0.03063290691041751,
"volume": 130.57853150200697,
"volume_molar": 19.659057423479506,
"formula_full": "Na1 Y3",
"formula_reduced": "NaY3",
"formula_anonymous": "AB3",
"energy": -19.52546342,
"energy_per_atom": -4.881365855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.52546342,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0058047,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:40.106000Z",
"spacegroup": 139
},
{
"id": "mp-2406",
"created_at": "2022-09-04T14:48:15.237332Z",
"structure_string": "Mg20 Pd8\n1.0\n4.403402 -7.626916 0.000000\n4.403402 7.626916 0.000000\n0.000000 0.000000 8.055814\nMg Pd\n20 8\ndirect\n0.192582 0.807418 0.438367 Mg\n0.192582 0.385165 0.438367 Mg\n0.614835 0.807418 0.438367 Mg\n0.807418 0.192582 0.561633 Mg\n0.807418 0.614835 0.561633 Mg\n0.385165 0.192582 0.561633 Mg\n0.807418 0.192582 0.938367 Mg\n0.807418 0.614835 0.938367 Mg\n0.385165 0.192582 0.938367 Mg\n0.192582 0.807418 0.061633 Mg\n0.192582 0.385165 0.061633 Mg\n0.614835 0.807418 0.061633 Mg\n0.536100 0.463900 0.250000 Mg\n0.536100 0.072200 0.250000 Mg\n0.927800 0.463900 0.250000 Mg\n0.463900 0.536100 0.750000 Mg\n0.463900 0.927800 0.750000 Mg\n0.072200 0.536100 0.750000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.876182 0.123818 0.250000 Pd\n0.876182 0.752364 0.250000 Pd\n0.247636 0.123818 0.250000 Pd\n0.123818 0.876182 0.750000 Pd\n0.123818 0.247636 0.750000 Pd\n0.752364 0.876182 0.750000 Pd\n0.333333 0.666667 0.250000 Pd\n0.666667 0.333333 0.750000 Pd\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Pd"
],
"chemical_system": "Mg-Pd",
"density": 4.104433042220919,
"density_atomic": 0.05174653887265073,
"volume": 541.0989915462474,
"volume_molar": 11.637765329234114,
"formula_full": "Mg20 Pd8",
"formula_reduced": "Mg5Pd2",
"formula_anonymous": "A2B5",
"energy": -86.66464843,
"energy_per_atom": -3.095166015357143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.66464843,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0102262,
"is_theoretical": false,
"updated_at": "2021-11-28T01:40:05.610000Z",
"spacegroup": 194
},
{
"id": "mp-1043783",
"created_at": "2022-09-04T14:48:13.577503Z",
"structure_string": "Bi8 O20\n1.0\n10.503533 0.000000 0.000000\n0.000000 5.536426 0.000000\n0.000000 4.438928 7.942741\nBi O\n8 20\ndirect\n0.402914 0.214233 0.033161 Bi\n0.597086 0.785767 0.966839 Bi\n0.902914 0.785767 0.466839 Bi\n0.097086 0.214233 0.533161 Bi\n0.889644 0.001720 0.873322 Bi\n0.110356 0.998280 0.126678 Bi\n0.610356 0.001720 0.373322 Bi\n0.389644 0.998280 0.626678 Bi\n0.934684 0.934650 0.646370 O\n0.986026 0.389551 0.667666 O\n0.794242 0.165052 0.321480 O\n0.421549 0.867259 0.440128 O\n0.718849 0.620733 0.496314 O\n0.781151 0.620733 0.996314 O\n0.513974 0.389551 0.167666 O\n0.486026 0.610449 0.832334 O\n0.578451 0.132741 0.559872 O\n0.434684 0.065350 0.853630 O\n0.281151 0.379267 0.503686 O\n0.065316 0.065350 0.353630 O\n0.565316 0.934650 0.146370 O\n0.218849 0.379267 0.003686 O\n0.921549 0.132741 0.059872 O\n0.078451 0.867259 0.940128 O\n0.205758 0.834948 0.678520 O\n0.013974 0.610449 0.332334 O\n0.294242 0.834948 0.178520 O\n0.705758 0.165052 0.821480 O\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Bi",
"O"
],
"chemical_system": "Bi-O",
"density": 7.1608788037406255,
"density_atomic": 0.06062094839247501,
"volume": 461.88653827586256,
"volume_molar": 9.934091959451328,
"formula_full": "Bi8 O20",
"formula_reduced": "Bi2O5",
"formula_anonymous": "A2B5",
"energy": -159.38360022,
"energy_per_atom": -5.692271436428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.64360022,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000247,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:33.176000Z",
"spacegroup": 14
},
{
"id": "mp-999389",
"created_at": "2022-09-04T14:48:15.225631Z",
"structure_string": "Nb1 Fe3\n1.0\n2.958791 2.958791 0.000000\n2.958791 0.000000 -2.958791\n0.000000 2.958791 -2.958791\nNb Fe\n1 3\ndirect\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.500000 0.500000 0.500000 Fe\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nb",
"Fe"
],
"chemical_system": "Fe-Nb",
"density": 8.348072703157365,
"density_atomic": 0.07721241365024364,
"volume": 51.805141309520224,
"volume_molar": 7.799446326440537,
"formula_full": "Nb1 Fe3",
"formula_reduced": "NbFe3",
"formula_anonymous": "AB3",
"energy": -35.70557683,
"energy_per_atom": -8.9263942075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.70557683,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0534771,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:40.346000Z",
"spacegroup": 225
}
]
}