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=-density_atomic&page=12116",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density_atomic&page=12114",
"results": [
{
"id": "mp-1096086",
"created_at": "2022-09-04T14:41:19.314235Z",
"structure_string": "La1 Pd2 Pb1\n1.0\n-5.061824 6.219890 8.772139\n5.061824 -6.219890 8.772139\n5.061824 6.219890 -8.772139\nLa Pd Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 La\n0.000000 0.232171 0.232171 Pd\n0.000000 0.767829 0.767829 Pd\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Pd",
"Pb"
],
"chemical_system": "La-Pb-Pd",
"density": 0.8401625079480679,
"density_atomic": 0.0036208017829620232,
"volume": 1104.727692861378,
"volume_molar": 166.32064169703165,
"formula_full": "La1 Pd2 Pb1",
"formula_reduced": "LaPd2Pb",
"formula_anonymous": "ABC2",
"energy": -14.89694231,
"energy_per_atom": -3.7242355775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.89694231,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000902,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.994000Z",
"spacegroup": 71
},
{
"id": "mp-1093540",
"created_at": "2022-09-04T14:45:25.637902Z",
"structure_string": "Li2 Ga1 Bi1\n1.0\n-5.607527 5.901897 8.348271\n5.607527 -5.901897 8.348271\n5.607527 5.901897 -8.348271\nLi Ga Bi\n2 1 1\ndirect\n0.000000 0.248974 0.248974 Li\n0.000000 0.751026 0.751026 Li\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ga",
"Bi"
],
"chemical_system": "Bi-Ga-Li",
"density": 0.43962483598251206,
"density_atomic": 0.0036194323363961623,
"volume": 1105.145677065693,
"volume_molar": 166.3835706898777,
"formula_full": "Li2 Ga1 Bi1",
"formula_reduced": "Li2GaBi",
"formula_anonymous": "ABC2",
"energy": -6.73243279,
"energy_per_atom": -1.6831081975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.73243279,
"band_gap": 0.0011000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0001256,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.295000Z",
"spacegroup": 71
},
{
"id": "mp-1096597",
"created_at": "2022-09-04T14:48:03.317115Z",
"structure_string": "Mg2 Cd1 Au1\n1.0\n-5.516789 5.953768 8.411896\n5.516789 -5.953768 8.411896\n5.516789 5.953768 -8.411896\nMg Cd Au\n2 1 1\ndirect\n0.000000 0.264358 0.264358 Mg\n0.000000 0.735642 0.735642 Mg\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"Au"
],
"chemical_system": "Au-Cd-Mg",
"density": 0.53787935603237,
"density_atomic": 0.0036193270108152618,
"volume": 1105.1778377712797,
"volume_molar": 166.38841259727727,
"formula_full": "Mg2 Cd1 Au1",
"formula_reduced": "Mg2CdAu",
"formula_anonymous": "ABC2",
"energy": -4.42390708,
"energy_per_atom": -1.10597677,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.42390708,
"band_gap": 0.008,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010663,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.341000Z",
"spacegroup": 71
},
{
"id": "mp-1248765",
"created_at": "2022-09-04T14:45:29.851996Z",
"structure_string": "Li2 La1 Al1\n1.0\n-10.418208 0.035657 -5.956726\n-10.191313 0.001509 5.555991\n-6.889595 9.340175 -0.162750\nLi La Al\n2 1 1\ndirect\n0.769092 0.003596 0.003596 Li\n0.230908 0.996404 0.996404 Li\n0.500000 -0.000000 -0.000000 La\n0.000000 -0.000000 -0.000000 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"La",
"Al"
],
"chemical_system": "Al-La-Li",
"density": 0.26986194466553454,
"density_atomic": 0.0036160773867777696,
"volume": 1106.1710168665218,
"volume_molar": 166.5379392050632,
"formula_full": "Li2 La1 Al1",
"formula_reduced": "Li2LaAl",
"formula_anonymous": "ABC2",
"energy": -4.86073925,
"energy_per_atom": -1.2151848125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.86073925,
"band_gap": 0.125,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.034000Z",
"spacegroup": 12
},
{
"id": "mp-1096162",
"created_at": "2022-09-04T14:40:31.663083Z",
"structure_string": "Mg2 Cd1 Ga1\n1.0\n-5.520032 5.951147 8.421434\n5.520032 -5.951147 8.421434\n5.520032 5.951147 -8.421434\nMg Cd Ga\n2 1 1\ndirect\n0.000000 0.245625 0.245625 Mg\n0.000000 0.754375 0.754375 Mg\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"Ga"
],
"chemical_system": "Cd-Ga-Mg",
"density": 0.34625113078598735,
"density_atomic": 0.003614695157617059,
"volume": 1106.5940074008754,
"volume_molar": 166.6016219185138,
"formula_full": "Mg2 Cd1 Ga1",
"formula_reduced": "Mg2CdGa",
"formula_anonymous": "ABC2",
"energy": -2.57092258,
"energy_per_atom": -0.642730645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.57092258,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1475153,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.535000Z",
"spacegroup": 71
},
{
"id": "mp-1093795",
"created_at": "2022-09-04T14:43:55.433939Z",
"structure_string": "Ca1 In1 Pd2\n1.0\n-5.089499 6.222737 8.735357\n5.089499 -6.222737 8.735357\n5.089499 6.222737 -8.735357\nCa In Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 In\n0.000000 0.246111 0.246111 Pd\n0.000000 0.753889 0.753889 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"In",
"Pd"
],
"chemical_system": "Ca-In-Pd",
"density": 0.5518081566036852,
"density_atomic": 0.0036146217859898367,
"volume": 1106.6164696687983,
"volume_molar": 166.60500369199434,
"formula_full": "Ca1 In1 Pd2",
"formula_reduced": "CaInPd2",
"formula_anonymous": "ABC2",
"energy": -11.13918125,
"energy_per_atom": -2.7847953125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.13918125,
"band_gap": 0.0185999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001825,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.397000Z",
"spacegroup": 71
},
{
"id": "mp-1096269",
"created_at": "2022-09-04T14:46:21.542562Z",
"structure_string": "Li1 Y1 Zn2\n1.0\n-5.587028 5.922853 8.361257\n5.587028 -5.922853 8.361257\n5.587028 5.922853 -8.361257\nLi Y Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Y\n0.000000 0.237274 0.237274 Zn\n0.000000 0.762726 0.762726 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Y",
"Zn"
],
"chemical_system": "Li-Y-Zn",
"density": 0.34008690434593786,
"density_atomic": 0.003614236983478746,
"volume": 1106.7342895013908,
"volume_molar": 166.6227418823991,
"formula_full": "Li1 Y1 Zn2",
"formula_reduced": "LiYZn2",
"formula_anonymous": "ABC2",
"energy": -4.81304776,
"energy_per_atom": -1.20326194,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.81304776,
"band_gap": 0.262,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999672,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.956000Z",
"spacegroup": 71
},
{
"id": "mp-1096371",
"created_at": "2022-09-04T14:45:34.052677Z",
"structure_string": "Mg2 Ag1 Hg1\n1.0\n-5.564453 5.931409 8.383128\n5.564453 -5.931409 8.383128\n5.564453 5.931409 -8.383128\nMg Ag Hg\n2 1 1\ndirect\n0.000000 0.240443 0.240443 Mg\n0.000000 0.759557 0.759557 Mg\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg-Mg",
"density": 0.5357397031516079,
"density_atomic": 0.0036142114074729013,
"volume": 1106.7421213184778,
"volume_molar": 166.62392099002173,
"formula_full": "Mg2 Ag1 Hg1",
"formula_reduced": "Mg2AgHg",
"formula_anonymous": "ABC2",
"energy": -3.1584684,
"energy_per_atom": -0.7896171,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.1584684,
"band_gap": 0.0020999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012635,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.854000Z",
"spacegroup": 71
},
{
"id": "mp-1097523",
"created_at": "2022-09-04T14:46:38.093674Z",
"structure_string": "Mg2 In1 Pd1\n1.0\n-5.586519 5.924461 8.361275\n5.586519 -5.924461 8.361275\n5.586519 5.924461 -8.361275\nMg In Pd\n2 1 1\ndirect\n0.000000 0.221316 0.221316 Mg\n0.000000 0.778684 0.778684 Mg\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"In",
"Pd"
],
"chemical_system": "In-Mg-Pd",
"density": 0.40480482203261164,
"density_atomic": 0.003613577450193569,
"volume": 1106.9362854768012,
"volume_molar": 166.65315308732104,
"formula_full": "Mg2 In1 Pd1",
"formula_reduced": "Mg2InPd",
"formula_anonymous": "ABC2",
"energy": -6.17615674,
"energy_per_atom": -1.544039185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.17615674,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.8218831,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.988000Z",
"spacegroup": 71
},
{
"id": "mp-1095956",
"created_at": "2022-09-04T14:45:53.697377Z",
"structure_string": "Y1 Ag1 Au2\n1.0\n-5.403409 6.017068 8.516633\n5.403409 -6.017068 8.516633\n5.403409 6.017068 -8.516633\nY Ag Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Ag\n0.000000 0.250467 0.250467 Au\n0.000000 0.749533 0.749533 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Ag",
"Au"
],
"chemical_system": "Ag-Au-Y",
"density": 0.8856062388770705,
"density_atomic": 0.0036114308670271056,
"volume": 1107.5942326684383,
"volume_molar": 166.75220935233816,
"formula_full": "Y1 Ag1 Au2",
"formula_reduced": "YAgAu2",
"formula_anonymous": "ABC2",
"energy": -11.13229974,
"energy_per_atom": -2.783074935,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.13229974,
"band_gap": 0.1754000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5238236,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.085000Z",
"spacegroup": 71
},
{
"id": "mp-1093673",
"created_at": "2022-09-04T14:43:52.870720Z",
"structure_string": "Li1 Ca1 Au2\n1.0\n-5.359469 6.046168 8.549620\n5.359469 -6.046168 8.549620\n5.359469 6.046168 -8.549620\nLi Ca Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Ca\n0.000000 0.239345 0.239345 Au\n0.000000 0.760655 0.760655 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ca",
"Au"
],
"chemical_system": "Au-Ca-Li",
"density": 0.6607417858878887,
"density_atomic": 0.0036095346402477196,
"volume": 1108.17609433594,
"volume_molar": 166.83981067395175,
"formula_full": "Li1 Ca1 Au2",
"formula_reduced": "LiCaAu2",
"formula_anonymous": "ABC2",
"energy": -8.38336089,
"energy_per_atom": -2.0958402225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.38336089,
"band_gap": 0.0433999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014741,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.076000Z",
"spacegroup": 71
},
{
"id": "mp-1096260",
"created_at": "2022-09-04T14:46:05.069323Z",
"structure_string": "Li2 In1 Pb1\n1.0\n-5.742488 5.819797 8.290064\n5.742488 -5.819797 8.290064\n5.742488 5.819797 -8.290064\nLi In Pb\n2 1 1\ndirect\n0.000000 0.256150 0.256150 Li\n0.000000 0.743850 0.743850 Li\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"In",
"Pb"
],
"chemical_system": "In-Li-Pb",
"density": 0.503307374756521,
"density_atomic": 0.0036093931019675913,
"volume": 1108.219550211773,
"volume_molar": 166.84635310897963,
"formula_full": "Li2 In1 Pb1",
"formula_reduced": "Li2InPb",
"formula_anonymous": "ABC2",
"energy": -5.87968155,
"energy_per_atom": -1.4699203875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.87968155,
"band_gap": 0.282,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.7655764,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.249000Z",
"spacegroup": 71
}
]
}