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=-nsites&page=10177",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=10175",
"results": [
{
"id": "mp-1217570",
"created_at": "2022-09-04T14:39:58.080540Z",
"structure_string": "Tb1 Cu2 Ni3\n1.0\n2.467332 -4.273544 0.000000\n2.467332 4.273544 0.000000\n0.000000 0.000000 3.967493\nTb Cu Ni\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.666667 0.333333 0.000000 Cu\n0.333333 0.666667 0.000000 Cu\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Cu",
"Ni"
],
"chemical_system": "Cu-Ni-Tb",
"density": 9.17108729775631,
"density_atomic": 0.07171158381829468,
"volume": 83.66849092613838,
"volume_molar": 8.397723825566468,
"formula_full": "Tb1 Cu2 Ni3",
"formula_reduced": "TbCu2Ni3",
"formula_anonymous": "AB2C3",
"energy": -31.893679830000004,
"energy_per_atom": -5.315613305,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.893679830000004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0082302,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.343000Z",
"spacegroup": 191
},
{
"id": "mp-1217688",
"created_at": "2022-09-04T14:39:50.063672Z",
"structure_string": "Tb2 Zn1 Cu1 Si2\n1.0\n0.000000 0.000000 -4.040588\n-2.040116 -3.539165 0.000000\n-6.126893 3.542942 0.000000\nTb Zn Cu Si\n2 1 1 2\ndirect\n0.000000 0.999989 0.003330 Tb\n0.000000 0.499916 0.496630 Tb\n0.500000 0.500222 0.835173 Zn\n0.500000 0.000120 0.332216 Cu\n0.500000 0.499782 0.172802 Si\n0.500000 0.999770 0.659849 Si\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Tb",
"Zn",
"Cu",
"Si"
],
"chemical_system": "Cu-Si-Tb-Zn",
"density": 7.1494525598787675,
"density_atomic": 0.05136024355093725,
"volume": 116.82187593307293,
"volume_molar": 11.72529634527036,
"formula_full": "Tb2 Zn1 Cu1 Si2",
"formula_reduced": "Tb2ZnCuSi2",
"formula_anonymous": "ABC2D2",
"energy": -29.19176142,
"energy_per_atom": -4.8652935699999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.33376142,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008309,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.698000Z",
"spacegroup": 25
},
{
"id": "mp-1094582",
"created_at": "2022-09-04T14:39:43.835162Z",
"structure_string": "Li2 Mg4\n1.0\n1.596460 -2.765149 0.000000\n1.596460 2.765149 0.000000\n0.000000 0.000000 14.828794\nLi Mg\n2 4\ndirect\n0.666667 0.333333 0.750000 Li\n0.333333 0.666667 0.250000 Li\n0.333333 0.666667 0.914745 Mg\n0.333333 0.666667 0.585255 Mg\n0.666667 0.333333 0.414745 Mg\n0.666667 0.333333 0.085255 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.4091543541454554,
"density_atomic": 0.04582883769597368,
"volume": 130.92193260068504,
"volume_molar": 13.140505111542634,
"formula_full": "Li2 Mg4",
"formula_reduced": "LiMg2",
"formula_anonymous": "AB2",
"energy": -10.30569284,
"energy_per_atom": -1.7176154733333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.30569284,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0816264,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.337000Z",
"spacegroup": 194
},
{
"id": "mp-745",
"created_at": "2022-09-04T14:39:43.429048Z",
"structure_string": "Th2 Mg4\n1.0\n0.000000 4.277054 4.277054\n4.277054 0.000000 4.277054\n4.277054 4.277054 0.000000\nTh Mg\n2 4\ndirect\n0.750000 0.750000 0.750000 Th\n0.500000 0.500000 0.500000 Th\n0.125000 0.625000 0.125000 Mg\n0.125000 0.125000 0.625000 Mg\n0.625000 0.125000 0.125000 Mg\n0.125000 0.125000 0.125000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Th",
"Mg"
],
"chemical_system": "Mg-Th",
"density": 5.956305181787719,
"density_atomic": 0.03834308517219628,
"volume": 156.48193078502666,
"volume_molar": 15.705936893066799,
"formula_full": "Th2 Mg4",
"formula_reduced": "ThMg2",
"formula_anonymous": "AB2",
"energy": -21.17391313,
"energy_per_atom": -3.5289855216666663,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.17391313,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001004,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:28.138000Z",
"spacegroup": 227
},
{
"id": "mp-1094618",
"created_at": "2022-09-04T14:39:43.428791Z",
"structure_string": "Mg1 Ga5\n1.0\n1.531520 -2.652670 0.000000\n1.531520 2.652670 0.000000\n0.000000 0.000000 14.136222\nMg Ga\n1 5\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.832898 Ga\n0.000000 0.000000 0.666997 Ga\n0.666667 0.333333 0.500000 Ga\n0.000000 0.000000 0.333003 Ga\n0.666667 0.333333 0.167102 Ga\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 5.391325115448603,
"density_atomic": 0.052237453726334995,
"volume": 114.86011610430313,
"volume_molar": 11.528396448167605,
"formula_full": "Mg1 Ga5",
"formula_reduced": "MgGa5",
"formula_anonymous": "AB5",
"energy": -16.68116502,
"energy_per_atom": -2.78019417,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.68116502,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.99e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.596000Z",
"spacegroup": 187
},
{
"id": "mp-951",
"created_at": "2022-09-04T14:39:43.426289Z",
"structure_string": "Ce2 Rh4\n1.0\n0.000000 3.795394 3.795394\n3.795394 0.000000 3.795394\n3.795394 3.795394 0.000000\nCe Rh\n2 4\ndirect\n0.500000 0.500000 0.500000 Ce\n0.750000 0.750000 0.750000 Ce\n0.125000 0.125000 0.125000 Rh\n0.625000 0.125000 0.125000 Rh\n0.125000 0.625000 0.125000 Rh\n0.125000 0.125000 0.625000 Rh\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Rh"
],
"chemical_system": "Ce-Rh",
"density": 10.506618373501277,
"density_atomic": 0.0548719829143367,
"volume": 109.34541967194605,
"volume_molar": 10.974891812095535,
"formula_full": "Ce2 Rh4",
"formula_reduced": "CeRh2",
"formula_anonymous": "AB2",
"energy": -45.60224681,
"energy_per_atom": -7.6003744683333325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.60224681,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6971586,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:34.069000Z",
"spacegroup": 227
},
{
"id": "mp-31080",
"created_at": "2022-09-04T14:39:43.569668Z",
"structure_string": "Y2 Al2 Si2\n1.0\n2.006770 -5.162362 0.000000\n2.006770 5.162362 0.000000\n0.000000 0.000000 5.715136\nY Al Si\n2 2 2\ndirect\n0.305569 0.694431 0.250000 Y\n0.694431 0.305569 0.750000 Y\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.400738 0.599262 0.750000 Si\n0.599262 0.400738 0.250000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Al",
"Si"
],
"chemical_system": "Al-Si-Y",
"density": 4.03791517013876,
"density_atomic": 0.05066973464874629,
"volume": 118.41388240126608,
"volume_molar": 11.885084462641853,
"formula_full": "Y2 Al2 Si2",
"formula_reduced": "YAlSi",
"formula_anonymous": "ABC",
"energy": -34.920939749999995,
"energy_per_atom": -5.820156624999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.06293975,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002073,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.477000Z",
"spacegroup": 63
},
{
"id": "mp-1217307",
"created_at": "2022-09-04T14:39:47.259888Z",
"structure_string": "Th1 Fe1 Co4\n1.0\n0.000000 0.000000 -3.995563\n-5.008751 -0.000984 0.000000\n-2.503523 4.337562 0.000000\nTh Fe Co\n1 1 4\ndirect\n0.000000 0.999973 0.000022 Th\n0.000000 0.333335 0.333383 Fe\n0.000000 0.666573 0.666695 Co\n0.500000 0.501064 0.501027 Co\n0.500000 0.501058 0.997921 Co\n0.500000 0.997897 0.501052 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Fe",
"Co"
],
"chemical_system": "Co-Fe-Th",
"density": 10.015197349626625,
"density_atomic": 0.06911127233982073,
"volume": 86.81651772373611,
"volume_molar": 8.713688167089561,
"formula_full": "Th1 Fe1 Co4",
"formula_reduced": "ThFeCo4",
"formula_anonymous": "ABC4",
"energy": -45.10254467,
"energy_per_atom": -7.517090778333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.10254467,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.4462728,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.630000Z",
"spacegroup": 187
},
{
"id": "mp-1215958",
"created_at": "2022-09-04T14:39:47.150902Z",
"structure_string": "Y2 Fe2 Co2\n1.0\n-3.578412 0.051831 -3.659641\n3.578412 -3.659641 0.051831\n-3.578412 -3.659641 0.051831\nY Fe Co\n2 2 2\ndirect\n0.500000 0.749351 0.750649 Y\n0.000000 0.000649 0.999351 Y\n0.250000 0.875000 0.375000 Fe\n0.750000 0.375000 0.375000 Fe\n0.750000 0.375000 0.875000 Co\n0.250000 0.375000 0.375000 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Fe",
"Co"
],
"chemical_system": "Co-Fe-Y",
"density": 7.058719440523124,
"density_atomic": 0.06260961982201713,
"volume": 95.8319187539621,
"volume_molar": 9.618555067287394,
"formula_full": "Y2 Fe2 Co2",
"formula_reduced": "YFeCo",
"formula_anonymous": "ABC",
"energy": -44.9551312,
"energy_per_atom": -7.492521866666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.9551312,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.7924493,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.568000Z",
"spacegroup": 74
},
{
"id": "mp-567276",
"created_at": "2022-09-04T14:40:14.148090Z",
"structure_string": "Ta2 V4\n1.0\n0.000000 3.562711 3.562711\n3.562711 0.000000 3.562711\n3.562711 3.562711 0.000000\nTa V\n2 4\ndirect\n0.250000 0.250000 0.250000 Ta\n0.000000 0.000000 0.000000 Ta\n0.625000 0.625000 0.125000 V\n0.625000 0.125000 0.625000 V\n0.125000 0.625000 0.625000 V\n0.625000 0.625000 0.625000 V\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ta",
"V"
],
"chemical_system": "Ta-V",
"density": 10.385660894850238,
"density_atomic": 0.0663406115513584,
"volume": 90.44233780321767,
"volume_molar": 9.0776081485741,
"formula_full": "Ta2 V4",
"formula_reduced": "TaV2",
"formula_anonymous": "AB2",
"energy": -60.67684914,
"energy_per_atom": -10.11280819,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.67684914,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0853805,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.311000Z",
"spacegroup": 227
},
{
"id": "mp-31141",
"created_at": "2022-09-04T14:40:00.333947Z",
"structure_string": "Sr2 Bi2 Au2\n1.0\n2.764973 -4.789073 0.000000\n2.764973 4.789073 0.000000\n0.000000 0.000000 6.658310\nSr Bi Au\n2 2 2\ndirect\n0.666667 0.333333 0.750000 Sr\n0.333333 0.666667 0.250000 Sr\n0.333333 0.666667 0.750000 Bi\n0.666667 0.333333 0.250000 Bi\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Bi",
"Au"
],
"chemical_system": "Au-Bi-Sr",
"density": 9.295843894856882,
"density_atomic": 0.03402631291387769,
"volume": 176.33412163070096,
"volume_molar": 17.69848168751737,
"formula_full": "Sr2 Bi2 Au2",
"formula_reduced": "SrBiAu",
"formula_anonymous": "ABC",
"energy": -19.68227897,
"energy_per_atom": -3.280379828333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.68227897,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010277,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.293000Z",
"spacegroup": 194
},
{
"id": "mp-1215264",
"created_at": "2022-09-04T14:39:46.969551Z",
"structure_string": "Zr1 Sc1 V1 Ni3\n1.0\n4.188091 -2.540014 0.000000\n4.188091 2.540014 0.000000\n2.647611 0.000000 4.120914\nZr Sc V Ni\n1 1 1 3\ndirect\n0.994388 0.994388 0.994388 Zr\n0.253578 0.253578 0.253578 Sc\n0.626110 0.626110 0.626110 V\n0.624859 0.126207 0.624859 Ni\n0.624859 0.624859 0.126207 Ni\n0.126207 0.624859 0.624859 Ni\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Zr",
"Sc",
"V",
"Ni"
],
"chemical_system": "Ni-Sc-V-Zr",
"density": 6.878933292887389,
"density_atomic": 0.06843456066390048,
"volume": 87.67499844804331,
"volume_molar": 8.799853029781639,
"formula_full": "Zr1 Sc1 V1 Ni3",
"formula_reduced": "ZrScVNi3",
"formula_anonymous": "ABCD3",
"energy": -43.32104143,
"energy_per_atom": -7.220173571666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.32104143,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4564434,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.181000Z",
"spacegroup": 160
}
]
}