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=chemical_system&page=10202",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10200",
"results": [
{
"id": "mp-1409205",
"created_at": "2022-09-04T14:45:28.777713Z",
"structure_string": "Mg2 Ni4 O8\n1.0\n2.810731 0.002885 0.575318\n1.229165 7.352726 1.186115\n-0.045087 0.873531 7.351074\nMg Ni O\n2 4 8\ndirect\n0.319422 0.146324 0.214744 Mg\n0.675991 0.830545 0.814548 Mg\n0.610363 0.189270 0.588413 Ni\n0.153566 0.500679 0.191946 Ni\n0.842953 0.476188 0.837211 Ni\n0.386147 0.787098 0.440697 Ni\n0.859587 0.676504 0.605132 O\n0.442235 0.332003 0.783415 O\n0.554885 0.644339 0.246249 O\n0.136757 0.300341 0.424007 O\n0.134829 0.013880 0.713817 O\n0.775037 0.342212 0.105851 O\n0.861132 0.962153 0.314870 O\n0.220072 0.634550 0.923187 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"O"
],
"chemical_system": "Mg-Ni-O",
"density": 4.560417478149283,
"density_atomic": 0.09346341226669433,
"volume": 149.79123552702663,
"volume_molar": 6.443313606843337,
"formula_full": "Mg2 Ni4 O8",
"formula_reduced": "Mg(NiO2)2",
"formula_anonymous": "AB2C4",
"energy": -85.47612817,
"energy_per_atom": -6.105437726428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.81612817,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9999967,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.414000Z",
"spacegroup": 12
},
{
"id": "mp-1042756",
"created_at": "2022-09-04T14:47:07.878765Z",
"structure_string": "Mg4 Ni6 O16\n1.0\n2.864765 -4.961919 0.000000\n2.864765 4.961919 0.000000\n0.000000 0.000000 9.169588\nMg Ni O\n4 6 16\ndirect\n0.666667 0.333333 0.027134 Mg\n0.333333 0.666667 0.527134 Mg\n0.666667 0.333333 0.418546 Mg\n0.333333 0.666667 0.918546 Mg\n0.670327 0.835163 0.246858 Ni\n0.835163 0.164837 0.746858 Ni\n0.164837 0.329673 0.246858 Ni\n0.835163 0.670327 0.746858 Ni\n0.329673 0.164837 0.746858 Ni\n0.164837 0.835163 0.246858 Ni\n0.843736 0.156264 0.142550 O\n0.687472 0.843736 0.642550 O\n0.156264 0.312528 0.642550 O\n0.843736 0.687472 0.142550 O\n0.312528 0.156264 0.142550 O\n0.156264 0.843736 0.642550 O\n0.519228 0.480772 0.863172 O\n0.038455 0.519228 0.363172 O\n0.480772 0.961545 0.363172 O\n0.519228 0.038455 0.863172 O\n0.000000 0.000000 0.349851 O\n0.000000 0.000000 0.849851 O\n0.333333 0.666667 0.140232 O\n0.961545 0.480772 0.863172 O\n0.480772 0.519228 0.363172 O\n0.666667 0.333333 0.640232 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"O"
],
"chemical_system": "Mg-Ni-O",
"density": 4.4931206850667555,
"density_atomic": 0.0997366684145062,
"volume": 260.6864698141294,
"volume_molar": 6.0380408286468406,
"formula_full": "Mg4 Ni6 O16",
"formula_reduced": "Mg2Ni3O8",
"formula_anonymous": "A2B3C8",
"energy": -156.71653318,
"energy_per_atom": -6.0275589684615385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -130.47853318,
"band_gap": 0.4742999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0025781,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.377000Z",
"spacegroup": 186
},
{
"id": "mp-1404822",
"created_at": "2022-09-04T14:47:05.220158Z",
"structure_string": "Mg4 Ni4 O8\n1.0\n2.933920 0.000000 0.000000\n1.437131 8.015958 0.000000\n1.461530 0.186466 8.014073\nMg Ni O\n4 4 8\ndirect\n0.572978 0.593371 0.253719 Mg\n0.427022 0.406629 0.746281 Mg\n0.195227 0.229102 0.390623 Mg\n0.804773 0.770898 0.609377 Mg\n0.181017 0.724871 0.914239 Ni\n0.411525 0.912614 0.264039 Ni\n0.588475 0.087386 0.735961 Ni\n0.818983 0.275129 0.085761 Ni\n0.424960 0.232894 0.932430 O\n0.199483 0.902168 0.713940 O\n0.800517 0.097832 0.286060 O\n0.575040 0.767106 0.067570 O\n0.829771 0.581916 0.770033 O\n0.941798 0.745479 0.370285 O\n0.170229 0.418084 0.229967 O\n0.058202 0.254521 0.629715 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"O"
],
"chemical_system": "Mg-Ni-O",
"density": 4.052652443500962,
"density_atomic": 0.08489126161177772,
"volume": 188.47640730291818,
"volume_molar": 7.093946591982908,
"formula_full": "Mg4 Ni4 O8",
"formula_reduced": "MgNiO2",
"formula_anonymous": "ABC2",
"energy": -99.47349657,
"energy_per_atom": -6.217093535625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.81349657,
"band_gap": 1.3679,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0212501,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.290000Z",
"spacegroup": 2
},
{
"id": "mp-1040809",
"created_at": "2022-09-04T14:47:07.597275Z",
"structure_string": "Mg2 Ni4 O8\n1.0\n5.079593 -2.937978 0.000000\n5.079593 2.937978 0.000000\n3.380300 0.000000 4.796619\nMg Ni O\n2 4 8\ndirect\n0.008742 0.008742 0.008742 Mg\n0.625325 0.625325 0.625325 Mg\n0.243446 0.243446 0.243446 Ni\n0.629664 0.117228 0.629664 Ni\n0.629664 0.629664 0.117228 Ni\n0.117228 0.629664 0.629664 Ni\n0.843375 0.375340 0.375340 O\n0.375340 0.375340 0.843375 O\n0.375340 0.843375 0.375340 O\n0.370473 0.370473 0.370473 O\n0.873629 0.873629 0.873629 O\n0.869226 0.419321 0.869226 O\n0.869226 0.869226 0.419321 O\n0.419321 0.869226 0.869226 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"O"
],
"chemical_system": "Mg-Ni-O",
"density": 4.771427507319098,
"density_atomic": 0.09778795436030746,
"volume": 143.16691755730866,
"volume_molar": 6.158366640753059,
"formula_full": "Mg2 Ni4 O8",
"formula_reduced": "Mg(NiO2)2",
"formula_anonymous": "AB2C4",
"energy": -87.23616342999999,
"energy_per_atom": -6.231154530714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.57616343,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.134000Z",
"spacegroup": 160
},
{
"id": "mp-1331343",
"created_at": "2022-09-04T14:39:33.526654Z",
"structure_string": "Mg8 Ni16 O32\n1.0\n2.937714 5.041906 0.000000\n-2.937714 5.041906 0.000000\n0.000000 3.752203 19.075738\nMg Ni O\n8 16 32\ndirect\n0.647667 0.647667 0.027053 Mg\n0.125360 0.125360 0.125199 Mg\n0.895426 0.895426 0.282116 Mg\n0.373579 0.373579 0.375069 Mg\n0.625039 0.625039 0.625311 Mg\n0.500448 0.500448 0.499158 Mg\n0.877034 0.877034 0.874885 Mg\n0.748328 0.748328 0.750071 Mg\n0.627551 0.123659 0.124826 Ni\n0.250195 0.250195 0.250586 Ni\n0.123659 0.627551 0.124826 Ni\n0.149639 0.149639 0.534484 Ni\n0.876319 0.369827 0.374481 Ni\n0.601226 0.601226 0.219710 Ni\n0.398753 0.398753 0.781663 Ni\n0.369827 0.876319 0.374481 Ni\n0.123435 0.625820 0.625483 Ni\n0.849406 0.849406 0.467100 Ni\n0.625820 0.123435 0.625483 Ni\n0.878756 0.373959 0.874672 Ni\n0.373959 0.878756 0.874672 Ni\n0.102037 0.102037 0.716053 Ni\n0.998867 0.998867 0.001746 Ni\n0.352554 0.352554 0.969155 Ni\n0.268165 0.823423 0.062963 O\n0.931131 0.931131 0.177600 O\n0.823423 0.268165 0.062963 O\n0.823092 0.823092 0.060106 O\n0.437198 0.437198 0.185676 O\n0.515973 0.070703 0.314271 O\n0.433035 0.974824 0.186824 O\n0.180904 0.180904 0.434918 O\n0.070703 0.515973 0.314271 O\n0.319696 0.319696 0.072875 O\n0.068256 0.068256 0.318037 O\n0.974824 0.433035 0.186824 O\n0.787882 0.309969 0.566800 O\n0.685454 0.685454 0.429374 O\n0.688244 0.214343 0.431566 O\n0.432663 0.432663 0.682879 O\n0.309969 0.787882 0.566800 O\n0.568153 0.568153 0.318772 O\n0.314813 0.314813 0.567353 O\n0.214343 0.688244 0.431566 O\n0.931190 0.931190 0.680877 O\n0.043396 0.562092 0.816718 O\n0.938925 0.467474 0.682613 O\n0.682012 0.682012 0.924465 O\n0.562092 0.043396 0.816718 O\n0.820064 0.820064 0.567161 O\n0.557945 0.557945 0.813399 O\n0.467474 0.938925 0.682613 O\n0.170887 0.170887 0.944696 O\n0.178794 0.732642 0.939040 O\n0.071721 0.071721 0.821932 O\n0.732642 0.178794 0.939040 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"O"
],
"chemical_system": "Mg-Ni-O",
"density": 4.835433263812407,
"density_atomic": 0.09909971944217526,
"volume": 565.0873717425208,
"volume_molar": 6.07684945416412,
"formula_full": "Mg8 Ni16 O32",
"formula_reduced": "Mg(NiO2)2",
"formula_anonymous": "AB2C4",
"energy": -347.1121581,
"energy_per_atom": -6.198431394642857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -284.4721581,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.9996121,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.505000Z",
"spacegroup": 8
},
{
"id": "mp-1042577",
"created_at": "2022-09-04T14:40:06.476126Z",
"structure_string": "Mg2 Ni4 O8\n1.0\n2.876396 0.039144 0.605978\n1.404936 7.120635 0.951020\n0.054627 0.602514 7.272480\nMg Ni O\n2 4 8\ndirect\n0.317049 0.148123 0.204970 Mg\n0.670035 0.828303 0.824280 Mg\n0.622136 0.173778 0.559161 Ni\n0.152699 0.512941 0.196939 Ni\n0.831987 0.463042 0.833527 Ni\n0.363806 0.802861 0.470530 Ni\n0.862963 0.663271 0.611462 O\n0.436406 0.309306 0.773389 O\n0.546842 0.665320 0.259170 O\n0.123129 0.312850 0.418200 O\n0.153712 0.988729 0.681023 O\n0.767580 0.336073 0.094835 O\n0.834305 0.986449 0.346263 O\n0.218668 0.641901 0.936140 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"O"
],
"chemical_system": "Mg-Ni-O",
"density": 4.641189311829155,
"density_atomic": 0.09511878948312902,
"volume": 147.1843794067958,
"volume_molar": 6.331178931864069,
"formula_full": "Mg2 Ni4 O8",
"formula_reduced": "Mg(NiO2)2",
"formula_anonymous": "AB2C4",
"energy": -85.48586753,
"energy_per_atom": -6.106133395,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.82586753,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0008985,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.757000Z",
"spacegroup": 2
},
{
"id": "mp-1394172",
"created_at": "2022-09-04T14:44:02.097638Z",
"structure_string": "Mg4 Ni4 O10\n1.0\n3.730628 0.000000 0.000000\n0.000000 4.925968 0.000000\n0.000000 0.000000 10.297214\nMg Ni O\n4 4 10\ndirect\n0.000000 0.246708 0.902563 Mg\n0.000000 0.753292 0.097437 Mg\n0.000000 0.746708 0.597437 Mg\n0.000000 0.253292 0.402563 Mg\n0.500000 0.217431 0.637742 Ni\n0.500000 0.782569 0.362258 Ni\n0.500000 0.282569 0.137742 Ni\n0.500000 0.717431 0.862258 Ni\n0.500000 0.500000 0.500000 O\n0.500000 0.169467 0.320946 O\n0.500000 0.669467 0.179054 O\n0.500000 0.330533 0.820946 O\n0.000000 0.305832 0.103272 O\n0.000000 0.694168 0.896728 O\n0.500000 0.830533 0.679054 O\n0.000000 0.194168 0.603272 O\n0.500000 0.000000 0.000000 O\n0.000000 0.805832 0.396728 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"O"
],
"chemical_system": "Mg-Ni-O",
"density": 4.317277695970179,
"density_atomic": 0.09512161930387318,
"volume": 189.23142952915512,
"volume_molar": 6.330990582447737,
"formula_full": "Mg4 Ni4 O10",
"formula_reduced": "Mg2Ni2O5",
"formula_anonymous": "A2B2C5",
"energy": -108.55830517,
"energy_per_atom": -6.031016953888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.52430517,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9997296,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.272000Z",
"spacegroup": 55
},
{
"id": "mp-1045897",
"created_at": "2022-09-04T14:42:27.521149Z",
"structure_string": "Mg2 Ni9 O13\n1.0\n1.460419 4.888448 0.000000\n-1.460419 4.888448 0.000000\n0.000000 2.526888 15.998444\nMg Ni O\n2 9 13\ndirect\n0.783590 0.783590 0.228782 Mg\n0.216410 0.216410 0.771218 Mg\n0.500000 0.500000 0.500000 Ni\n0.352298 0.352298 0.040957 Ni\n0.647702 0.647702 0.959043 Ni\n0.248583 0.248583 0.418310 Ni\n0.751417 0.751417 0.581690 Ni\n0.061558 0.061558 0.124098 Ni\n0.938442 0.938442 0.875902 Ni\n0.004055 0.004055 0.332913 Ni\n0.995945 0.995945 0.667087 Ni\n0.000000 0.000000 0.000000 O\n0.135781 0.135781 0.228464 O\n0.864219 0.864219 0.771536 O\n0.704242 0.704242 0.071569 O\n0.295758 0.295758 0.928431 O\n0.413942 0.413942 0.148360 O\n0.586058 0.586058 0.851640 O\n0.369266 0.369266 0.309289 O\n0.630734 0.630734 0.690711 O\n0.616283 0.616283 0.387501 O\n0.383717 0.383717 0.612499 O\n0.871166 0.871166 0.462411 O\n0.128834 0.128834 0.537589 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"O"
],
"chemical_system": "Mg-Ni-O",
"density": 5.705261572194742,
"density_atomic": 0.10506426491190031,
"volume": 228.4316177353428,
"volume_molar": 5.731863983486444,
"formula_full": "Mg2 Ni9 O13",
"formula_reduced": "Mg2Ni9O13",
"formula_anonymous": "A2B9C13",
"energy": -152.49436796,
"energy_per_atom": -6.3539319983333336,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.69436796,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0000459,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.311000Z",
"spacegroup": 12
},
{
"id": "mp-1099253",
"created_at": "2022-09-04T14:43:39.748482Z",
"structure_string": "Mg6 Ni2 O8\n1.0\n4.245803 0.000000 4.245803\n-4.245803 4.245803 0.000000\n-4.245803 0.000000 4.245803\nMg Ni O\n6 2 8\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.750000 0.500000 0.750000 O\n0.250000 0.500000 0.250000 O\n0.250000 0.000000 0.750000 O\n0.750000 0.000000 0.250000 O\n0.250000 0.000000 0.250000 O\n0.750000 0.000000 0.750000 O\n0.250000 0.500000 0.750000 O\n0.750000 0.500000 0.250000 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"O"
],
"chemical_system": "Mg-Ni-O",
"density": 4.243769145430393,
"density_atomic": 0.10452266354021265,
"volume": 153.07684915477085,
"volume_molar": 5.761564579420732,
"formula_full": "Mg6 Ni2 O8",
"formula_reduced": "Mg3NiO4",
"formula_anonymous": "AB3C4",
"energy": -102.4338821,
"energy_per_atom": -6.40211763125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.8558821,
"band_gap": 3.2945,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.304000Z",
"spacegroup": 221
},
{
"id": "mp-1386995",
"created_at": "2022-09-04T14:48:10.039391Z",
"structure_string": "Mg2 Ni4 O8\n1.0\n2.944660 5.149050 0.000000\n-2.944660 5.149050 0.000000\n0.000000 3.369606 4.834137\nMg Ni O\n2 4 8\ndirect\n0.875765 0.875765 0.375123 Mg\n0.124235 0.124235 0.624877 Mg\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.712462 0.259579 0.755570 O\n0.259579 0.712462 0.755570 O\n0.254891 0.254891 0.777646 O\n0.731245 0.731245 0.785600 O\n0.745109 0.745109 0.222354 O\n0.740421 0.287538 0.244430 O\n0.268755 0.268755 0.214400 O\n0.287538 0.740421 0.244430 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"O"
],
"chemical_system": "Mg-Ni-O",
"density": 4.6599342452683885,
"density_atomic": 0.0955029572595085,
"volume": 146.592319250995,
"volume_molar": 6.305711291888212,
"formula_full": "Mg2 Ni4 O8",
"formula_reduced": "Mg(NiO2)2",
"formula_anonymous": "AB2C4",
"energy": -87.72893476,
"energy_per_atom": -6.266352482857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.06893476,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9997754,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:32.651000Z",
"spacegroup": 12
},
{
"id": "mp-1233591",
"created_at": "2022-09-04T14:41:46.276211Z",
"structure_string": "Mg1 Ni9 O13\n1.0\n2.907307 0.000161 0.000330\n-1.453754 4.839936 -0.775068\n0.002130 -0.093861 16.043780\nMg Ni O\n1 9 13\ndirect\n0.788347 0.576734 0.769706 Mg\n0.499218 0.998668 0.498057 Ni\n0.649849 0.299574 0.048252 Ni\n0.353114 0.706474 0.961718 Ni\n0.749512 0.498977 0.411727 Ni\n0.249839 0.500207 0.579624 Ni\n0.940899 0.880964 0.125349 Ni\n0.065066 0.129606 0.876955 Ni\n0.995514 0.992310 0.333602 Ni\n0.007036 0.015235 0.666511 Ni\n0.999696 0.999008 0.010052 O\n0.880823 0.760343 0.228224 O\n0.139697 0.279450 0.771865 O\n0.300697 0.602945 0.076248 O\n0.704739 0.409989 0.932930 O\n0.569213 0.136700 0.151742 O\n0.417965 0.835132 0.854389 O\n0.609768 0.222528 0.308680 O\n0.373030 0.747663 0.689413 O\n0.385445 0.769409 0.382508 O\n0.619205 0.239620 0.611089 O\n0.124495 0.249065 0.454150 O\n0.868498 0.736898 0.532208 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"O"
],
"chemical_system": "Mg-Ni-O",
"density": 5.599283383122029,
"density_atomic": 0.10197421773101631,
"volume": 225.54720704667253,
"volume_molar": 5.9055522993909815,
"formula_full": "Mg1 Ni9 O13",
"formula_reduced": "MgNi9O13",
"formula_anonymous": "AB9C13",
"energy": -143.22889646000002,
"energy_per_atom": -6.227343324347827,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.42889646000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.6348885,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.173000Z",
"spacegroup": 8
},
{
"id": "mp-755557",
"created_at": "2022-09-04T14:46:28.446865Z",
"structure_string": "Mg2 Ni4 O8\n1.0\n5.032124 -0.000082 -2.642073\n-1.387176 4.837321 -2.642156\n-0.056697 -0.075345 6.005441\nMg Ni O\n2 4 8\ndirect\n0.375003 0.625001 0.750004 Mg\n0.624997 0.374999 0.249996 Mg\n0.000000 0.000000 0.499999 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.499999 Ni\n0.000000 0.000000 0.000000 Ni\n0.760726 0.786079 0.521459 O\n0.764636 0.239278 0.978548 O\n0.213920 0.239276 0.978543 O\n0.239274 0.213921 0.478542 O\n0.239277 0.764633 0.478547 O\n0.235364 0.760722 0.021452 O\n0.760723 0.235367 0.521454 O\n0.786080 0.760724 0.021457 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"O"
],
"chemical_system": "Mg-Ni-O",
"density": 4.737860838257329,
"density_atomic": 0.09710002273036973,
"volume": 144.1812226849382,
"volume_molar": 6.201997271125736,
"formula_full": "Mg2 Ni4 O8",
"formula_reduced": "Mg(NiO2)2",
"formula_anonymous": "AB2C4",
"energy": -87.85264463,
"energy_per_atom": -6.275188902142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.19264463,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9982459,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.545000Z",
"spacegroup": 141
}
]
}