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=-energy&page=133",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=131",
"results": [
{
"id": "mp-1096029",
"created_at": "2022-09-04T14:47:25.406846Z",
"structure_string": "Ca1 Ag2 Pb1\n1.0\n-5.703744 6.521317 8.492713\n5.703744 -6.521317 8.492713\n5.703744 6.521317 -8.492713\nCa Ag Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.250137 0.250137 Ag\n0.000000 0.749863 0.749863 Ag\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Ag",
"Pb"
],
"chemical_system": "Ag-Ca-Pb",
"density": 0.608473711359912,
"density_atomic": 0.0031656158770313057,
"volume": 1263.5771854136563,
"volume_molar": 190.23599179214142,
"formula_full": "Ca1 Ag2 Pb1",
"formula_reduced": "CaAg2Pb",
"formula_anonymous": "ABC2",
"energy": -6.65761874,
"energy_per_atom": -1.664404685,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.65761874,
"band_gap": 0.8364000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9308047,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.708000Z",
"spacegroup": 71
},
{
"id": "mp-570891",
"created_at": "2022-09-04T14:47:00.338879Z",
"structure_string": "K1 Br1\n1.0\n4.043499 0.000000 0.000000\n0.000000 4.043499 0.000000\n0.000000 0.000000 4.043499\nK Br\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"Br"
],
"chemical_system": "Br-K",
"density": 2.9890448568342385,
"density_atomic": 0.030252270539360002,
"volume": 66.11074026321036,
"volume_molar": 19.906409180642612,
"formula_full": "K1 Br1",
"formula_reduced": "KBr",
"formula_anonymous": "AB",
"energy": -6.65856933,
"energy_per_atom": -3.329284665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.12456933,
"band_gap": 3.8761,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003685,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:46.849000Z",
"spacegroup": 221
},
{
"id": "mp-1190",
"created_at": "2022-09-04T14:41:34.538997Z",
"structure_string": "Zn1 Se1\n1.0\n0.000000 2.871170 2.871170\n2.871170 0.000000 2.871170\n2.871170 2.871170 0.000000\nZn Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Se"
],
"chemical_system": "Se-Zn",
"density": 5.064263884449379,
"density_atomic": 0.04224966574330762,
"volume": 47.33765261366124,
"volume_molar": 14.253700364372495,
"formula_full": "Zn1 Se1",
"formula_reduced": "ZnSe",
"formula_anonymous": "AB",
"energy": -6.65871974,
"energy_per_atom": -3.32935987,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.18671974,
"band_gap": 1.1663,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002941,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:24.415000Z",
"spacegroup": 216
},
{
"id": "mp-1096459",
"created_at": "2022-09-04T14:41:47.137862Z",
"structure_string": "Mg1 Sc2 Hg1\n1.0\n-5.940174 6.000677 8.483881\n5.940174 -6.000677 8.483881\n5.940174 6.000677 -8.483881\nMg Sc Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.255796 0.255796 Sc\n0.000000 0.744204 0.744204 Sc\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Sc",
"Hg"
],
"chemical_system": "Hg-Mg-Sc",
"density": 0.43215471803319633,
"density_atomic": 0.0033067854246938253,
"volume": 1209.633975682096,
"volume_molar": 182.11465174089997,
"formula_full": "Mg1 Sc2 Hg1",
"formula_reduced": "MgSc2Hg",
"formula_anonymous": "ABC2",
"energy": -6.65997615,
"energy_per_atom": -1.6649940375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.65997615,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9994562,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.813000Z",
"spacegroup": 71
},
{
"id": "mp-11468",
"created_at": "2022-09-04T14:46:06.135050Z",
"structure_string": "Nd1 Hg2\n1.0\n2.532752 -4.386855 0.000000\n2.532752 4.386855 0.000000\n0.000000 0.000000 3.510718\nNd Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.666667 0.333333 0.500000 Hg\n0.333333 0.666667 0.500000 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Nd",
"Hg"
],
"chemical_system": "Hg-Nd",
"density": 11.609402289106908,
"density_atomic": 0.03845469457518872,
"volume": 78.01388187167203,
"volume_molar": 15.660352595507375,
"formula_full": "Nd1 Hg2",
"formula_reduced": "NdHg2",
"formula_anonymous": "AB2",
"energy": -6.66461651,
"energy_per_atom": -2.221538836666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.66461651,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0909998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.665000Z",
"spacegroup": 191
},
{
"id": "mp-1437",
"created_at": "2022-09-04T14:41:19.347502Z",
"structure_string": "Li2 Cd2\n1.0\n0.000000 3.373390 3.373390\n3.373390 0.000000 3.373390\n3.373390 3.373390 0.000000\nLi Cd\n2 2\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Li\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Cd"
],
"chemical_system": "Cd-Li",
"density": 5.162726741741578,
"density_atomic": 0.052099113806099974,
"volume": 76.77673779417844,
"volume_molar": 11.559008052253862,
"formula_full": "Li2 Cd2",
"formula_reduced": "LiCd",
"formula_anonymous": "AB",
"energy": -6.66719815,
"energy_per_atom": -1.6667995375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.66719815,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.005167,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:17.165000Z",
"spacegroup": 227
},
{
"id": "mp-1096504",
"created_at": "2022-09-04T14:44:14.713310Z",
"structure_string": "Sr2 Li1 Pd1\n1.0\n-6.280269 6.332299 8.948781\n6.280269 -6.332299 8.948781\n6.280269 6.332299 -8.948781\nSr Li Pd\n2 1 1\ndirect\n0.000000 0.283215 0.283215 Sr\n0.000000 0.716785 0.716785 Sr\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Li",
"Pd"
],
"chemical_system": "Li-Pd-Sr",
"density": 0.33665370504006686,
"density_atomic": 0.0028099362092680507,
"volume": 1423.5198602753849,
"volume_molar": 214.3159243308475,
"formula_full": "Sr2 Li1 Pd1",
"formula_reduced": "Sr2LiPd",
"formula_anonymous": "ABC2",
"energy": -6.67372457,
"energy_per_atom": -1.6684311425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.67372457,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.05e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.799000Z",
"spacegroup": 71
},
{
"id": "mp-1057125",
"created_at": "2022-09-04T14:39:16.410401Z",
"structure_string": "K1 S1\n1.0\n3.837513 0.000000 0.000000\n0.000000 3.837513 0.000000\n0.000000 0.000000 3.837513\nK S\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"S"
],
"chemical_system": "K-S",
"density": 2.091007533096517,
"density_atomic": 0.035389988094647745,
"volume": 56.513158316164365,
"volume_molar": 17.01650970860532,
"formula_full": "K1 S1",
"formula_reduced": "KS",
"formula_anonymous": "AB",
"energy": -6.6738243100000005,
"energy_per_atom": -3.3369121550000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.17082431,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999239,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.346000Z",
"spacegroup": 221
},
{
"id": "mp-22867",
"created_at": "2022-09-04T14:47:23.322523Z",
"structure_string": "Rb1 Br1\n1.0\n0.000000 3.513965 3.513965\n3.513965 0.000000 3.513965\n3.513965 3.513965 0.000000\nRb Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"Br"
],
"chemical_system": "Br-Rb",
"density": 3.1643773032979565,
"density_atomic": 0.023046644645332477,
"volume": 86.78052839266779,
"volume_molar": 26.1302278603911,
"formula_full": "Rb1 Br1",
"formula_reduced": "RbBr",
"formula_anonymous": "AB",
"energy": -6.67465091,
"energy_per_atom": -3.337325455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.14065091,
"band_gap": 4.192,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001711,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:06.841000Z",
"spacegroup": 225
},
{
"id": "mp-1185359",
"created_at": "2022-09-04T14:42:16.439910Z",
"structure_string": "Li1 Mg2 Cd1\n1.0\n0.000000 3.429266 3.429266\n3.429266 0.000000 3.429266\n3.429266 3.429266 0.000000\nLi Mg Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Cd"
],
"chemical_system": "Cd-Li-Mg",
"density": 3.458012973619913,
"density_atomic": 0.04959369591750952,
"volume": 80.6554124672076,
"volume_molar": 12.142956173334575,
"formula_full": "Li1 Mg2 Cd1",
"formula_reduced": "LiMg2Cd",
"formula_anonymous": "ABC2",
"energy": -6.67486731,
"energy_per_atom": -1.6687168275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.67486731,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019849,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.937000Z",
"spacegroup": 225
},
{
"id": "mp-1095962",
"created_at": "2022-09-04T14:39:57.693005Z",
"structure_string": "Li1 Ag2 Bi1\n1.0\n-5.430922 5.936887 8.390992\n5.430922 -5.936887 8.390992\n5.430922 5.936887 -8.390992\nLi Ag Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.241651 0.241651 Ag\n0.000000 0.758349 0.758349 Ag\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ag",
"Bi"
],
"chemical_system": "Ag-Bi-Li",
"density": 0.6623431418314778,
"density_atomic": 0.003696190485063141,
"volume": 1082.19530788919,
"volume_molar": 162.92831184800602,
"formula_full": "Li1 Ag2 Bi1",
"formula_reduced": "LiAg2Bi",
"formula_anonymous": "ABC2",
"energy": -6.67762912,
"energy_per_atom": -1.66940728,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.67762912,
"band_gap": 0.4336000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000241,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.448000Z",
"spacegroup": 71
},
{
"id": "mp-1066989",
"created_at": "2022-09-04T14:48:05.537059Z",
"structure_string": "H2\n1.0\n1.312194 -2.252960 0.000000\n1.312194 2.252960 0.000000\n0.000000 0.000000 2.608958\nH\n2\ndirect\n0.582655 0.417345 0.000000 H\n0.417345 0.582655 0.000000 H\n",
"nsites": 2,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.2170027119837974,
"density_atomic": 0.12965264572492172,
"volume": 15.425832529814404,
"volume_molar": 4.644826741736463,
"formula_full": "H2",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -6.68052013,
"energy_per_atom": -3.340260065,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.68052013,
"band_gap": 6.2332,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.242000Z",
"spacegroup": 65
}
]
}