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=-volume_molar&page=113",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume_molar&page=111",
"results": [
{
"id": "mp-1093860",
"created_at": "2022-09-04T14:46:10.828680Z",
"structure_string": "Li2 Ga1 Ag1\n1.0\n-5.379452 5.470241 7.710886\n5.379452 -5.470241 7.710886\n5.379452 5.470241 -7.710886\nLi Ga Ag\n2 1 1\ndirect\n0.000000 0.258425 0.258425 Li\n0.000000 0.741575 0.741575 Li\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ga",
"Ag"
],
"chemical_system": "Ag-Ga-Li",
"density": 0.350306601953431,
"density_atomic": 0.004407082906328162,
"volume": 907.6298506334816,
"volume_molar": 136.64686796231504,
"formula_full": "Li2 Ga1 Ag1",
"formula_reduced": "Li2GaAg",
"formula_anonymous": "ABC2",
"energy": -5.81697282,
"energy_per_atom": -1.454243205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.81697282,
"band_gap": 0.7193,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001269,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.181000Z",
"spacegroup": 71
},
{
"id": "mp-1093776",
"created_at": "2022-09-04T14:46:23.513270Z",
"structure_string": "Mg2 Zn1 Cu1\n1.0\n-5.355569 5.477214 7.735315\n5.355569 -5.477214 7.735315\n5.355569 5.477214 -7.735315\nMg Zn Cu\n2 1 1\ndirect\n0.000000 0.237343 0.237343 Mg\n0.000000 0.762657 0.762657 Mg\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"Cu"
],
"chemical_system": "Cu-Mg-Zn",
"density": 0.3248651609008015,
"density_atomic": 0.004407138180701736,
"volume": 907.618467130316,
"volume_molar": 136.6451541358549,
"formula_full": "Mg2 Zn1 Cu1",
"formula_reduced": "Mg2ZnCu",
"formula_anonymous": "ABC2",
"energy": -3.7478223,
"energy_per_atom": -0.936955575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.7478223,
"band_gap": 0.7677,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.58e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.858000Z",
"spacegroup": 71
},
{
"id": "mp-1097662",
"created_at": "2022-09-04T14:48:10.013994Z",
"structure_string": "Nb1 In1 Tc2\n1.0\n-4.974857 5.723510 7.965897\n4.974857 -5.723510 7.965897\n4.974857 5.723510 -7.965897\nNb In Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 In\n0.000000 0.223861 0.223861 Tc\n0.000000 0.776139 0.776139 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"In",
"Tc"
],
"chemical_system": "In-Nb-Tc",
"density": 0.7389181736837787,
"density_atomic": 0.004408818960681663,
"volume": 907.2724545218218,
"volume_molar": 136.59306072002775,
"formula_full": "Nb1 In1 Tc2",
"formula_reduced": "NbInTc2",
"formula_anonymous": "ABC2",
"energy": -20.54256467,
"energy_per_atom": -5.1356411675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.54256467,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0646315,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.603000Z",
"spacegroup": 71
},
{
"id": "mp-1179684",
"created_at": "2022-09-04T14:44:02.345536Z",
"structure_string": "Rb1 S1\n1.0\n6.433489 5.883228 0.000000\n-6.433489 5.883228 0.000000\n0.000000 2.113365 5.992079\nRb S\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"S"
],
"chemical_system": "Rb-S",
"density": 0.43026736970699225,
"density_atomic": 0.004409204350965699,
"volume": 453.5965767977985,
"volume_molar": 136.58112168652465,
"formula_full": "Rb1 S1",
"formula_reduced": "RbS",
"formula_anonymous": "AB",
"energy": -5.44195915,
"energy_per_atom": -2.720979575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.93895915,
"band_gap": 0.3290999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000168,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.706000Z",
"spacegroup": 12
},
{
"id": "mp-1096374",
"created_at": "2022-09-04T14:43:41.228918Z",
"structure_string": "Tl1 Cu1 Pd2\n1.0\n-4.950188 5.695512 8.044062\n4.950188 -5.695512 8.044062\n4.950188 5.695512 -8.044062\nTl Cu Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Cu\n0.000000 0.242132 0.242132 Pd\n0.000000 0.757868 0.757868 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"Pd"
],
"chemical_system": "Cu-Pd-Tl",
"density": 0.8800269255944968,
"density_atomic": 0.004409304853992591,
"volume": 907.1724755837718,
"volume_molar": 136.5780085390784,
"formula_full": "Tl1 Cu1 Pd2",
"formula_reduced": "TlCuPd2",
"formula_anonymous": "ABC2",
"energy": -10.3019208,
"energy_per_atom": -2.5754802,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.3019208,
"band_gap": 0.4597000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.31e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.964000Z",
"spacegroup": 71
},
{
"id": "mp-1096065",
"created_at": "2022-09-04T14:39:23.356340Z",
"structure_string": "Hf2 Mn1 Re1\n1.0\n-4.926277 5.707865 8.064676\n4.926277 -5.707865 8.064676\n4.926277 5.707865 -8.064676\nHf Mn Re\n2 1 1\ndirect\n0.000000 0.264124 0.264124 Hf\n0.000000 0.735876 0.735876 Hf\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Mn",
"Re"
],
"chemical_system": "Hf-Mn-Re",
"density": 1.0949685583673117,
"density_atomic": 0.004409816872684869,
"volume": 907.0671448460043,
"volume_molar": 136.56215062584866,
"formula_full": "Hf2 Mn1 Re1",
"formula_reduced": "Hf2MnRe",
"formula_anonymous": "ABC2",
"energy": -25.76579193,
"energy_per_atom": -6.4414479825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.76579193,
"band_gap": 0.0745,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6979168,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.193000Z",
"spacegroup": 71
},
{
"id": "mp-1097596",
"created_at": "2022-09-04T14:47:03.637201Z",
"structure_string": "Sc2 Zn1 Rh1\n1.0\n-5.131934 5.608961 7.876625\n5.131934 -5.608961 7.876625\n5.131934 5.608961 -7.876625\nSc Zn Rh\n2 1 1\ndirect\n0.000000 0.283519 0.283519 Sc\n0.000000 0.716481 0.716481 Sc\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Zn",
"Rh"
],
"chemical_system": "Rh-Sc-Zn",
"density": 0.47280925246494565,
"density_atomic": 0.00441058653951679,
"volume": 906.9088576228746,
"volume_molar": 136.53831992739376,
"formula_full": "Sc2 Zn1 Rh1",
"formula_reduced": "Sc2ZnRh",
"formula_anonymous": "ABC2",
"energy": -13.97512358,
"energy_per_atom": -3.493780895,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.97512358,
"band_gap": 0.1286999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3334296,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.328000Z",
"spacegroup": 71
},
{
"id": "mp-1096225",
"created_at": "2022-09-04T14:43:23.811915Z",
"structure_string": "Y1 Sn1 Ru2\n1.0\n-4.927580 5.770676 7.972104\n4.927580 -5.770676 7.972104\n4.927580 5.770676 -7.972104\nY Sn Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Sn\n0.000000 0.242779 0.242779 Ru\n0.000000 0.757221 0.757221 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Sn",
"Ru"
],
"chemical_system": "Ru-Sn-Y",
"density": 0.7503794608100595,
"density_atomic": 0.004411300766515195,
"volume": 906.7620213889629,
"volume_molar": 136.51621321566162,
"formula_full": "Y1 Sn1 Ru2",
"formula_reduced": "YSnRu2",
"formula_anonymous": "ABC2",
"energy": -18.16236768,
"energy_per_atom": -4.54059192,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.16236768,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1264721,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.380000Z",
"spacegroup": 71
},
{
"id": "mp-1096624",
"created_at": "2022-09-04T14:40:26.049740Z",
"structure_string": "Li1 Sn2 Ir1\n1.0\n-5.305398 5.559124 7.681842\n5.305398 -5.559124 7.681842\n5.305398 5.559124 -7.681842\nLi Sn Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.263504 0.263504 Sn\n0.000000 0.736496 0.736496 Sn\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sn",
"Ir"
],
"chemical_system": "Ir-Li-Sn",
"density": 0.7999470700527492,
"density_atomic": 0.0044137761023890585,
"volume": 906.2534907094421,
"volume_molar": 136.4396521323403,
"formula_full": "Li1 Sn2 Ir1",
"formula_reduced": "LiSn2Ir",
"formula_anonymous": "ABC2",
"energy": -11.61477067,
"energy_per_atom": -2.9036926675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.61477067,
"band_gap": 0.2597,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.6333839,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.154000Z",
"spacegroup": 71
},
{
"id": "mp-1093889",
"created_at": "2022-09-04T14:45:30.779851Z",
"structure_string": "Li2 Zn1 Ag1\n1.0\n-5.335764 5.479025 7.741923\n5.335764 -5.479025 7.741923\n5.335764 5.479025 -7.741923\nLi Zn Ag\n2 1 1\ndirect\n0.000000 0.257928 0.257928 Li\n0.000000 0.742072 0.742072 Li\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Zn",
"Ag"
],
"chemical_system": "Ag-Li-Zn",
"density": 0.34328240495637835,
"density_atomic": 0.004418259885259276,
"volume": 905.333797440317,
"volume_molar": 136.3011890742729,
"formula_full": "Li2 Zn1 Ag1",
"formula_reduced": "Li2ZnAg",
"formula_anonymous": "ABC2",
"energy": -4.51333639,
"energy_per_atom": -1.1283340975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.51333639,
"band_gap": 0.5495000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9999716,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.399000Z",
"spacegroup": 71
},
{
"id": "mp-1097670",
"created_at": "2022-09-04T14:45:24.471370Z",
"structure_string": "Cd1 Pd2 Au1\n1.0\n-5.199549 5.552307 7.838015\n5.199549 -5.552307 7.838015\n5.199549 5.552307 -7.838015\nCd Pd Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.253891 0.253891 Pd\n0.000000 0.746109 0.746109 Pd\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"Pd",
"Au"
],
"chemical_system": "Au-Cd-Pd",
"density": 0.9580658232847826,
"density_atomic": 0.0044193130140821445,
"volume": 905.1180550583308,
"volume_molar": 136.26870829946745,
"formula_full": "Cd1 Pd2 Au1",
"formula_reduced": "CdPd2Au",
"formula_anonymous": "ABC2",
"energy": -8.18899259,
"energy_per_atom": -2.0472481475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.18899259,
"band_gap": 0.2452999999999994,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0001655,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.357000Z",
"spacegroup": 71
},
{
"id": "mp-1095805",
"created_at": "2022-09-04T14:47:32.944391Z",
"structure_string": "Zr2 Re1 Pt1\n1.0\n-4.886396 5.714210 8.100380\n4.886396 -5.714210 8.100380\n4.886396 5.714210 -8.100380\nZr Re Pt\n2 1 1\ndirect\n0.000000 0.240343 0.240343 Zr\n0.000000 0.759657 0.759657 Zr\n0.000000 0.000000 0.000000 Re\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Re",
"Pt"
],
"chemical_system": "Pt-Re-Zr",
"density": 1.034705928515051,
"density_atomic": 0.004421297620975299,
"volume": 904.7117708211724,
"volume_molar": 136.20754077784903,
"formula_full": "Zr2 Re1 Pt1",
"formula_reduced": "Zr2RePt",
"formula_anonymous": "ABC2",
"energy": -23.14344888,
"energy_per_atom": -5.78586222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.14344888,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000315,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.825000Z",
"spacegroup": 71
}
]
}