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=-formula_full&page=67",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_full&page=65",
"results": [
{
"id": "mp-1195444",
"created_at": "2022-09-04T14:42:52.384797Z",
"structure_string": "Zr2 Zn40 Ni4\n1.0\n0.000000 6.974380 6.974380\n6.974380 0.000000 6.974380\n6.974380 6.974380 0.000000\nZr Zn Ni\n2 40 4\ndirect\n0.500000 0.500000 0.500000 Zr\n0.750000 0.750000 0.750000 Zr\n0.567959 0.301940 0.301940 Zn\n0.301940 0.567959 0.828160 Zn\n0.301940 0.828160 0.567959 Zn\n0.828160 0.301940 0.301940 Zn\n0.301940 0.301940 0.567959 Zn\n0.567959 0.828160 0.301940 Zn\n0.828160 0.567959 0.301940 Zn\n0.301940 0.301940 0.828160 Zn\n0.301940 0.567959 0.301940 Zn\n0.828160 0.301940 0.567959 Zn\n0.567959 0.301940 0.828160 Zn\n0.301940 0.828160 0.301940 Zn\n0.682041 0.948060 0.948060 Zn\n0.948060 0.682041 0.421840 Zn\n0.948060 0.421840 0.682041 Zn\n0.421840 0.948060 0.948060 Zn\n0.948060 0.948060 0.682041 Zn\n0.682041 0.421840 0.948060 Zn\n0.421840 0.682041 0.948060 Zn\n0.948060 0.948060 0.421840 Zn\n0.948060 0.682041 0.948060 Zn\n0.421840 0.948060 0.682041 Zn\n0.682041 0.948060 0.421840 Zn\n0.948060 0.421840 0.948060 Zn\n0.862292 0.862292 0.137708 Zn\n0.137708 0.137708 0.862292 Zn\n0.862292 0.137708 0.862292 Zn\n0.137708 0.862292 0.137708 Zn\n0.137708 0.862292 0.862292 Zn\n0.862292 0.137708 0.137708 Zn\n0.387708 0.387708 0.112292 Zn\n0.112292 0.112292 0.387708 Zn\n0.387708 0.112292 0.387708 Zn\n0.112292 0.387708 0.112292 Zn\n0.112292 0.387708 0.387708 Zn\n0.387708 0.112292 0.112292 Zn\n0.125000 0.625000 0.625000 Zn\n0.625000 0.125000 0.625000 Zn\n0.625000 0.625000 0.125000 Zn\n0.625000 0.625000 0.625000 Zn\n0.625000 0.125000 0.125000 Ni\n0.125000 0.625000 0.125000 Ni\n0.125000 0.125000 0.625000 Ni\n0.125000 0.125000 0.125000 Ni\n",
"nsites": 46,
"nelements": 3,
"elements": [
"Zr",
"Zn",
"Ni"
],
"chemical_system": "Ni-Zn-Zr",
"density": 7.424341916944596,
"density_atomic": 0.0677970843482285,
"volume": 678.4952545116633,
"volume_molar": 8.882595494915787,
"formula_full": "Zr2 Zn40 Ni4",
"formula_reduced": "Zr(Zn10Ni)2",
"formula_anonymous": "AB2C20",
"energy": -99.00988744,
"energy_per_atom": -2.1523888573913044,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -99.00988744,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0076861,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.356000Z",
"spacegroup": 227
},
{
"id": "mp-1195553",
"created_at": "2022-09-04T14:47:55.909705Z",
"structure_string": "Zr2 Zn40 Fe4\n1.0\n0.000000 6.995506 6.995506\n6.995506 0.000000 6.995506\n6.995506 6.995506 0.000000\nZr Zn Fe\n2 40 4\ndirect\n0.500000 0.500000 0.500000 Zr\n0.750000 0.750000 0.750000 Zr\n0.568459 0.300714 0.300714 Zn\n0.300714 0.568459 0.830114 Zn\n0.300714 0.830114 0.568459 Zn\n0.830114 0.300714 0.300714 Zn\n0.300714 0.300714 0.568459 Zn\n0.568459 0.830114 0.300714 Zn\n0.830114 0.568459 0.300714 Zn\n0.300714 0.300714 0.830114 Zn\n0.300714 0.568459 0.300714 Zn\n0.830114 0.300714 0.568459 Zn\n0.568459 0.300714 0.830114 Zn\n0.300714 0.830114 0.300714 Zn\n0.681541 0.949286 0.949286 Zn\n0.949286 0.681541 0.419886 Zn\n0.949286 0.419886 0.681541 Zn\n0.419886 0.949286 0.949286 Zn\n0.949286 0.949286 0.681541 Zn\n0.681541 0.419886 0.949286 Zn\n0.419886 0.681541 0.949286 Zn\n0.949286 0.949286 0.419886 Zn\n0.949286 0.681541 0.949286 Zn\n0.419886 0.949286 0.681541 Zn\n0.681541 0.949286 0.419886 Zn\n0.949286 0.419886 0.949286 Zn\n0.863732 0.863732 0.136268 Zn\n0.136268 0.136268 0.863732 Zn\n0.863732 0.136268 0.863732 Zn\n0.136268 0.863732 0.136268 Zn\n0.136268 0.863732 0.863732 Zn\n0.863732 0.136268 0.136268 Zn\n0.386268 0.386268 0.113732 Zn\n0.113732 0.113732 0.386268 Zn\n0.386268 0.113732 0.386268 Zn\n0.113732 0.386268 0.113732 Zn\n0.113732 0.386268 0.386268 Zn\n0.386268 0.113732 0.113732 Zn\n0.125000 0.625000 0.625000 Zn\n0.625000 0.125000 0.625000 Zn\n0.625000 0.625000 0.125000 Zn\n0.625000 0.625000 0.625000 Zn\n0.625000 0.125000 0.125000 Fe\n0.125000 0.625000 0.125000 Fe\n0.125000 0.125000 0.625000 Fe\n0.125000 0.125000 0.125000 Fe\n",
"nsites": 46,
"nelements": 3,
"elements": [
"Zr",
"Zn",
"Fe"
],
"chemical_system": "Fe-Zn-Zr",
"density": 7.329649009949858,
"density_atomic": 0.06718470827857376,
"volume": 684.6796120519899,
"volume_molar": 8.963558694085382,
"formula_full": "Zr2 Zn40 Fe4",
"formula_reduced": "Zr(Zn10Fe)2",
"formula_anonymous": "AB2C20",
"energy": -107.49569773999998,
"energy_per_atom": -2.336862994347826,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -107.49569773999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.4875479,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:22.158000Z",
"spacegroup": 227
},
{
"id": "mp-1195710",
"created_at": "2022-09-04T14:41:56.468937Z",
"structure_string": "Zr2 Zn40 Cu4\n1.0\n0.000000 7.020631 7.020631\n7.020631 0.000000 7.020631\n7.020631 7.020631 0.000000\nZr Zn Cu\n2 40 4\ndirect\n0.500000 0.500000 0.500000 Zr\n0.750000 0.750000 0.750000 Zr\n0.567048 0.304387 0.304387 Zn\n0.304387 0.567048 0.824178 Zn\n0.304387 0.824178 0.567048 Zn\n0.824178 0.304387 0.304387 Zn\n0.304387 0.304387 0.567048 Zn\n0.567048 0.824178 0.304387 Zn\n0.824178 0.567048 0.304387 Zn\n0.304387 0.304387 0.824178 Zn\n0.304387 0.567048 0.304387 Zn\n0.824178 0.304387 0.567048 Zn\n0.567048 0.304387 0.824178 Zn\n0.304387 0.824178 0.304387 Zn\n0.682952 0.945613 0.945613 Zn\n0.945613 0.682952 0.425822 Zn\n0.945613 0.425822 0.682952 Zn\n0.425822 0.945613 0.945613 Zn\n0.945613 0.945613 0.682952 Zn\n0.682952 0.425822 0.945613 Zn\n0.425822 0.682952 0.945613 Zn\n0.945613 0.945613 0.425822 Zn\n0.945613 0.682952 0.945613 Zn\n0.425822 0.945613 0.682952 Zn\n0.682952 0.945613 0.425822 Zn\n0.945613 0.425822 0.945613 Zn\n0.859991 0.859991 0.140009 Zn\n0.140009 0.140009 0.859991 Zn\n0.859991 0.140009 0.859991 Zn\n0.140009 0.859991 0.140009 Zn\n0.140009 0.859991 0.859991 Zn\n0.859991 0.140009 0.140009 Zn\n0.390009 0.390009 0.109991 Zn\n0.109991 0.109991 0.390009 Zn\n0.390009 0.109991 0.390009 Zn\n0.109991 0.390009 0.109991 Zn\n0.109991 0.390009 0.390009 Zn\n0.390009 0.109991 0.109991 Zn\n0.125000 0.625000 0.625000 Zn\n0.625000 0.125000 0.625000 Zn\n0.625000 0.625000 0.125000 Zn\n0.625000 0.625000 0.625000 Zn\n0.625000 0.125000 0.125000 Cu\n0.125000 0.625000 0.125000 Cu\n0.125000 0.125000 0.625000 Cu\n0.125000 0.125000 0.125000 Cu\n",
"nsites": 46,
"nelements": 3,
"elements": [
"Zr",
"Zn",
"Cu"
],
"chemical_system": "Cu-Zn-Zr",
"density": 7.325146687146612,
"density_atomic": 0.06646597714088014,
"volume": 692.0834083654438,
"volume_molar": 9.060486310515792,
"formula_full": "Zr2 Zn40 Cu4",
"formula_reduced": "Zr(Zn10Cu)2",
"formula_anonymous": "AB2C20",
"energy": -89.19364843,
"energy_per_atom": -1.938992357173913,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.19364843,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006226,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:35.475000Z",
"spacegroup": 227
},
{
"id": "mp-1195250",
"created_at": "2022-09-04T14:44:12.482406Z",
"structure_string": "Zr2 Zn40 Co4\n1.0\n0.000000 6.960291 6.960291\n6.960291 0.000000 6.960291\n6.960291 6.960291 0.000000\nZr Zn Co\n2 40 4\ndirect\n0.500000 0.500000 0.500000 Zr\n0.750000 0.750000 0.750000 Zr\n0.568536 0.300852 0.300852 Zn\n0.300852 0.568536 0.829761 Zn\n0.300852 0.829761 0.568536 Zn\n0.829761 0.300852 0.300852 Zn\n0.300852 0.300852 0.568536 Zn\n0.568536 0.829761 0.300852 Zn\n0.829761 0.568536 0.300852 Zn\n0.300852 0.300852 0.829761 Zn\n0.300852 0.568536 0.300852 Zn\n0.829761 0.300852 0.568536 Zn\n0.568536 0.300852 0.829761 Zn\n0.300852 0.829761 0.300852 Zn\n0.681464 0.949148 0.949148 Zn\n0.949148 0.681464 0.420239 Zn\n0.949148 0.420239 0.681464 Zn\n0.420239 0.949148 0.949148 Zn\n0.949148 0.949148 0.681464 Zn\n0.681464 0.420239 0.949148 Zn\n0.420239 0.681464 0.949148 Zn\n0.949148 0.949148 0.420239 Zn\n0.949148 0.681464 0.949148 Zn\n0.420239 0.949148 0.681464 Zn\n0.681464 0.949148 0.420239 Zn\n0.949148 0.420239 0.949148 Zn\n0.863313 0.863313 0.136687 Zn\n0.136687 0.136687 0.863313 Zn\n0.863313 0.136687 0.863313 Zn\n0.136687 0.863313 0.136687 Zn\n0.136687 0.863313 0.863313 Zn\n0.863313 0.136687 0.136687 Zn\n0.386687 0.386687 0.113313 Zn\n0.113313 0.113313 0.386687 Zn\n0.386687 0.113313 0.386687 Zn\n0.113313 0.386687 0.113313 Zn\n0.113313 0.386687 0.386687 Zn\n0.386687 0.113313 0.113313 Zn\n0.125000 0.625000 0.625000 Zn\n0.625000 0.125000 0.625000 Zn\n0.625000 0.625000 0.125000 Zn\n0.625000 0.625000 0.625000 Zn\n0.625000 0.125000 0.125000 Co\n0.125000 0.625000 0.125000 Co\n0.125000 0.125000 0.625000 Co\n0.125000 0.125000 0.125000 Co\n",
"nsites": 46,
"nelements": 3,
"elements": [
"Zr",
"Zn",
"Co"
],
"chemical_system": "Co-Zn-Zr",
"density": 7.471879997676252,
"density_atomic": 0.06820962223996539,
"volume": 674.3916545699277,
"volume_molar": 8.828872763455221,
"formula_full": "Zr2 Zn40 Co4",
"formula_reduced": "Zr(Zn10Co)2",
"formula_anonymous": "AB2C20",
"energy": -103.75375385,
"energy_per_atom": -2.2555163880434783,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.75375385,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0208129,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:30.471000Z",
"spacegroup": 227
},
{
"id": "mp-1401",
"created_at": "2022-09-04T14:47:34.133640Z",
"structure_string": "Zr2 Zn4\n1.0\n0.000000 3.708368 3.708368\n3.708368 0.000000 3.708368\n3.708368 3.708368 0.000000\nZr Zn\n2 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Zr\n0.625000 0.625000 0.625000 Zn\n0.125000 0.625000 0.625000 Zn\n0.625000 0.125000 0.625000 Zn\n0.625000 0.625000 0.125000 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Zn"
],
"chemical_system": "Zn-Zr",
"density": 7.229957651117005,
"density_atomic": 0.058826468882795156,
"volume": 101.99490321192484,
"volume_molar": 10.237127732413123,
"formula_full": "Zr2 Zn4",
"formula_reduced": "ZrZn2",
"formula_anonymous": "AB2",
"energy": -23.94969111,
"energy_per_atom": -3.991615185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.94969111,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8211176,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:13.121000Z",
"spacegroup": 227
},
{
"id": "mp-1215412",
"created_at": "2022-09-04T14:44:28.267593Z",
"structure_string": "Zr2 Zn3 Ga3\n1.0\n4.042676 0.000000 0.000000\n0.000000 4.082405 0.000000\n0.000000 0.000000 8.234945\nZr Zn Ga\n2 3 3\ndirect\n0.000000 0.000000 0.754386 Zr\n0.000000 0.000000 0.245614 Zr\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.743276 Ga\n0.500000 0.500000 0.256724 Ga\n0.500000 0.000000 0.000000 Ga\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Zn",
"Ga"
],
"chemical_system": "Ga-Zn-Zr",
"density": 7.1823317447437,
"density_atomic": 0.05886325319888986,
"volume": 135.9082205832089,
"volume_molar": 10.230730434915165,
"formula_full": "Zr2 Zn3 Ga3",
"formula_reduced": "Zr2(ZnGa)3",
"formula_anonymous": "A2B3C3",
"energy": -33.74742406,
"energy_per_atom": -4.2184280075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.74742406,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001366,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.704000Z",
"spacegroup": 47
},
{
"id": "mp-1016109",
"created_at": "2022-09-04T14:41:59.636955Z",
"structure_string": "Zr2 Zn32\n1.0\n3.888387 -5.799893 0.000000\n3.888387 5.799893 0.000000\n0.000000 0.000000 11.826970\nZr Zn\n2 32\ndirect\n0.047402 0.952598 0.750000 Zr\n0.952598 0.047402 0.250000 Zr\n0.355063 0.982882 0.931279 Zn\n0.644937 0.017118 0.431279 Zn\n0.982882 0.355063 0.068721 Zn\n0.017118 0.644937 0.568721 Zn\n0.644937 0.017118 0.068721 Zn\n0.355063 0.982882 0.568721 Zn\n0.017118 0.644937 0.931279 Zn\n0.982882 0.355063 0.431279 Zn\n0.648324 0.755886 0.865968 Zn\n0.351676 0.244114 0.365968 Zn\n0.755886 0.648324 0.134032 Zn\n0.244114 0.351676 0.634032 Zn\n0.351676 0.244114 0.134032 Zn\n0.648324 0.755886 0.634032 Zn\n0.244114 0.351676 0.865968 Zn\n0.755886 0.648324 0.365968 Zn\n0.480854 0.194671 0.750000 Zn\n0.519146 0.805329 0.250000 Zn\n0.194671 0.480854 0.250000 Zn\n0.805329 0.519146 0.750000 Zn\n0.178252 0.821748 0.360421 Zn\n0.821748 0.178252 0.860421 Zn\n0.821748 0.178252 0.639579 Zn\n0.178252 0.821748 0.139579 Zn\n0.620989 0.379011 0.969450 Zn\n0.379011 0.620989 0.469450 Zn\n0.379011 0.620989 0.030550 Zn\n0.620989 0.379011 0.530550 Zn\n0.292157 0.707843 0.750000 Zn\n0.707843 0.292157 0.250000 Zn\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n",
"nsites": 34,
"nelements": 2,
"elements": [
"Zr",
"Zn"
],
"chemical_system": "Zn-Zr",
"density": 7.083368784449251,
"density_atomic": 0.06373616995069667,
"volume": 533.449060812735,
"volume_molar": 9.448545095600265,
"formula_full": "Zr2 Zn32",
"formula_reduced": "ZrZn16",
"formula_anonymous": "AB16",
"energy": -60.57700002,
"energy_per_atom": -1.7816764711764705,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.57700002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011205,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.449000Z",
"spacegroup": 63
},
{
"id": "mp-1097157",
"created_at": "2022-09-04T14:46:29.133575Z",
"structure_string": "Zr2 Zn1 Tc1\n1.0\n-5.215415 5.586312 7.985717\n5.215415 -5.586312 7.985717\n5.215415 5.586312 -7.985717\nZr Zn Tc\n2 1 1\ndirect\n0.000000 0.284311 0.284311 Zr\n0.000000 0.715689 0.715689 Zr\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Zn",
"Tc"
],
"chemical_system": "Tc-Zn-Zr",
"density": 0.6171030618261684,
"density_atomic": 0.004298055558254928,
"volume": 930.653395654117,
"volume_molar": 140.11314368502664,
"formula_full": "Zr2 Zn1 Tc1",
"formula_reduced": "Zr2ZnTc",
"formula_anonymous": "ABC2",
"energy": -16.84171707,
"energy_per_atom": -4.2104292675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.84171707,
"band_gap": 0.3535999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.5258766,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.116000Z",
"spacegroup": 71
},
{
"id": "mp-1095814",
"created_at": "2022-09-04T14:40:59.341220Z",
"structure_string": "Zr2 Zn1 Pt1\n1.0\n-5.379405 5.569603 8.022320\n5.379405 -5.569603 8.022320\n5.379405 5.569603 -8.022320\nZr Zn Pt\n2 1 1\ndirect\n0.000000 0.273413 0.273413 Zr\n0.000000 0.726587 0.726587 Zr\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Zn",
"Pt"
],
"chemical_system": "Pt-Zn-Zr",
"density": 0.7650265797025079,
"density_atomic": 0.004160461776807273,
"volume": 961.4317387310765,
"volume_molar": 144.74693154425216,
"formula_full": "Zr2 Zn1 Pt1",
"formula_reduced": "Zr2ZnPt",
"formula_anonymous": "ABC2",
"energy": -14.22924242,
"energy_per_atom": -3.557310605,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.22924242,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0993708,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.768000Z",
"spacegroup": 71
},
{
"id": "mp-1095940",
"created_at": "2022-09-04T14:40:33.803863Z",
"structure_string": "Zr2 Zn1 Cu1\n1.0\n-5.301729 5.641001 7.996704\n5.301729 -5.641001 7.996704\n5.301729 5.641001 -7.996704\nZr Zn Cu\n2 1 1\ndirect\n0.000000 0.240529 0.240529 Zr\n0.000000 0.759471 0.759471 Zr\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Zn",
"Cu"
],
"chemical_system": "Cu-Zn-Zr",
"density": 0.540539176874299,
"density_atomic": 0.004181338022506519,
"volume": 956.6315802428679,
"volume_molar": 144.02425079209462,
"formula_full": "Zr2 Zn1 Cu1",
"formula_reduced": "Zr2ZnCu",
"formula_anonymous": "ABC2",
"energy": -10.52229199,
"energy_per_atom": -2.6305729975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.52229199,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0035493,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.898000Z",
"spacegroup": 71
},
{
"id": "mp-1093703",
"created_at": "2022-09-04T14:39:41.799346Z",
"structure_string": "Zr2 Zn1 Cd1\n1.0\n-5.773667 5.998361 8.553931\n5.773667 -5.998361 8.553931\n5.773667 5.998361 -8.553931\nZr Zn Cd\n2 1 1\ndirect\n0.000000 0.240611 0.240611 Zr\n0.000000 0.759389 0.759389 Zr\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Zn",
"Cd"
],
"chemical_system": "Cd-Zn-Zr",
"density": 0.5048527433848427,
"density_atomic": 0.0033755918202963806,
"volume": 1184.977394467319,
"volume_molar": 178.40251667250604,
"formula_full": "Zr2 Zn1 Cd1",
"formula_reduced": "Zr2ZnCd",
"formula_anonymous": "ABC2",
"energy": -8.06354786,
"energy_per_atom": -2.015886965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.06354786,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.768227,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.466000Z",
"spacegroup": 71
},
{
"id": "mp-977584",
"created_at": "2022-09-04T14:48:19.074716Z",
"structure_string": "Zr2 Zn1 Ag2 F14\n1.0\n3.359246 4.493511 0.000000\n-3.359246 4.493511 0.000000\n0.000000 0.154993 9.429299\nZr Zn Ag F\n2 1 2 14\ndirect\n0.884319 0.884319 0.198147 Zr\n0.115681 0.115681 0.801853 Zr\n0.500000 0.500000 0.000000 Zn\n0.307475 0.307475 0.384441 Ag\n0.692525 0.692525 0.615559 Ag\n0.000000 0.000000 0.000000 F\n0.592110 0.179763 0.124006 F\n0.179763 0.592110 0.124006 F\n0.665005 0.665005 0.144606 F\n0.094849 0.094849 0.276615 F\n0.639764 0.003828 0.374557 F\n0.003828 0.639764 0.374557 F\n0.500000 0.500000 0.500000 F\n0.996172 0.360236 0.625443 F\n0.360236 0.996172 0.625443 F\n0.905151 0.905151 0.723385 F\n0.334995 0.334995 0.855394 F\n0.820237 0.407890 0.875994 F\n0.407890 0.820237 0.875994 F\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Zr",
"Zn",
"Ag",
"F"
],
"chemical_system": "Ag-F-Zn-Zr",
"density": 4.255784867840731,
"density_atomic": 0.06674466845811453,
"volume": 284.6669320400237,
"volume_molar": 9.022654391907245,
"formula_full": "Zr2 Zn1 Ag2 F14",
"formula_reduced": "Zr2ZnAg2F14",
"formula_anonymous": "AB2C2D14",
"energy": -107.37943486,
"energy_per_atom": -5.651549203157895,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.91143486,
"band_gap": 0.3058,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016498,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:52.560000Z",
"spacegroup": 12
}
]
}