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=10271",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_full&page=10269",
"results": [
{
"id": "mp-725643",
"created_at": "2022-09-04T14:42:46.342607Z",
"structure_string": "Co2 Ag2 N12 O16\n1.0\n6.915340 0.000000 0.000000\n0.000000 6.915340 0.000000\n0.000000 0.000000 9.792630\nCo Ag N O\n2 2 12 16\ndirect\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.703110 0.703110 0.500000 N\n0.296890 0.296890 0.500000 N\n0.203110 0.203110 0.000000 N\n0.796890 0.796890 0.000000 N\n0.703110 0.296890 0.500000 N\n0.296890 0.703110 0.500000 N\n0.203110 0.796890 0.000000 N\n0.796890 0.203110 0.000000 N\n0.500000 0.500000 0.692272 N\n0.000000 0.000000 0.807728 N\n0.500000 0.500000 0.307728 N\n0.000000 0.000000 0.192272 N\n0.720218 0.810919 0.600770 O\n0.279782 0.189081 0.600770 O\n0.220218 0.310919 0.899230 O\n0.779782 0.689081 0.899230 O\n0.720218 0.189081 0.399230 O\n0.279782 0.810919 0.399230 O\n0.220218 0.689081 0.100770 O\n0.779782 0.310919 0.100770 O\n0.810919 0.279782 0.600770 O\n0.189081 0.720218 0.600770 O\n0.310919 0.779782 0.899230 O\n0.689081 0.220218 0.899230 O\n0.189081 0.279782 0.399230 O\n0.810919 0.720218 0.399230 O\n0.689081 0.779782 0.100770 O\n0.310919 0.220218 0.100770 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Co",
"Ag",
"N",
"O"
],
"chemical_system": "Ag-Co-N-O",
"density": 2.686611232877911,
"density_atomic": 0.06833190959660225,
"volume": 468.302440088564,
"volume_molar": 8.813072538952499,
"formula_full": "Co2 Ag2 N12 O16",
"formula_reduced": "CoAg(N3O4)2",
"formula_anonymous": "ABC6D8",
"energy": -195.23013472,
"energy_per_atom": -6.10094171,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -180.96213472,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1792885,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:52.947000Z",
"spacegroup": 126
},
{
"id": "mp-1181889",
"created_at": "2022-09-04T14:48:11.713847Z",
"structure_string": "Co2 Ag2 N12 O16\n1.0\n7.948695 0.000000 0.000000\n0.000000 7.948695 0.000000\n0.000000 0.000000 7.367172\nCo Ag N O\n2 2 12 16\ndirect\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.722238 0.722238 0.500000 N\n0.277762 0.277762 0.500000 N\n0.222238 0.222238 0.000000 N\n0.777762 0.777762 0.000000 N\n0.277762 0.722238 0.500000 N\n0.722238 0.277762 0.500000 N\n0.777762 0.222238 0.000000 N\n0.222238 0.777762 0.000000 N\n0.500000 0.500000 0.773479 N\n0.000000 0.000000 0.726521 N\n0.500000 0.500000 0.226521 N\n0.000000 0.000000 0.273479 N\n0.847685 0.695765 0.592276 O\n0.152315 0.304235 0.592276 O\n0.347685 0.195765 0.907724 O\n0.652315 0.804235 0.907724 O\n0.152315 0.695765 0.407724 O\n0.847685 0.304235 0.407724 O\n0.652315 0.195765 0.092276 O\n0.347685 0.804235 0.092276 O\n0.304235 0.847685 0.592276 O\n0.695765 0.152315 0.592276 O\n0.804235 0.347685 0.907724 O\n0.195765 0.652315 0.907724 O\n0.304235 0.152315 0.407724 O\n0.695765 0.847685 0.407724 O\n0.804235 0.652315 0.092276 O\n0.195765 0.347685 0.092276 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Co",
"Ag",
"N",
"O"
],
"chemical_system": "Ag-Co-N-O",
"density": 2.702954727384817,
"density_atomic": 0.06874759392616646,
"volume": 465.4708357410641,
"volume_molar": 8.759784039086023,
"formula_full": "Co2 Ag2 N12 O16",
"formula_reduced": "CoAg(N3O4)2",
"formula_anonymous": "ABC6D8",
"energy": -198.8023637,
"energy_per_atom": -6.212573865625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -184.5343637,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2258898,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.766000Z",
"spacegroup": 126
},
{
"id": "mp-705563",
"created_at": "2022-09-04T14:42:20.739095Z",
"structure_string": "Co29 O40\n1.0\n8.337371 0.000000 0.000000\n4.137413 9.322291 0.000000\n4.159263 0.069619 9.366251\nCo O\n29 40\ndirect\n0.171225 0.550578 0.858323 Co\n0.900125 0.905110 0.801959 Co\n0.501820 0.000605 0.997340 Co\n0.572633 0.955086 0.648631 Co\n0.199328 0.205879 0.900172 Co\n0.300262 0.300430 0.598057 Co\n0.897890 0.395331 0.805190 Co\n0.697538 0.697896 0.897496 Co\n0.977924 0.345100 0.450441 Co\n0.596672 0.599576 0.701277 Co\n0.694398 0.700529 0.400887 Co\n0.218855 0.857185 0.949261 Co\n0.306005 0.801136 0.597991 Co\n0.102270 0.103833 0.697444 Co\n0.375568 0.748166 0.247104 Co\n0.998929 0.001069 0.500098 Co\n0.625884 0.249130 0.750689 Co\n0.102034 0.100075 0.199303 Co\n0.703068 0.196851 0.399832 Co\n0.503608 0.499085 0.501644 Co\n0.405465 0.392464 0.295594 Co\n0.498599 0.493583 0.003805 Co\n0.027712 0.650670 0.546970 Co\n0.095663 0.600489 0.201757 Co\n0.899580 0.904617 0.289348 Co\n0.796966 0.799987 0.095997 Co\n0.429867 0.051001 0.343901 Co\n0.298401 0.300176 0.102259 Co\n0.828521 0.448386 0.150886 Co\n0.928700 0.713013 0.911142 O\n0.741404 0.973946 0.995760 O\n0.649742 0.899897 0.811635 O\n0.428213 0.209118 0.915552 O\n0.328283 0.116601 0.693384 O\n0.981153 0.198085 0.870973 O\n0.149318 0.390133 0.797568 O\n0.063761 0.290689 0.609399 O\n0.742884 0.499410 0.991518 O\n0.649600 0.411081 0.804745 O\n0.841108 0.594458 0.713039 O\n0.459655 0.688997 0.902826 O\n0.736846 0.508074 0.503435 O\n0.359315 0.602860 0.692230 O\n0.552811 0.790458 0.594657 O\n0.452842 0.694050 0.410616 O\n0.145613 0.916660 0.783607 O\n0.043662 0.820924 0.603665 O\n0.232299 0.005565 0.513479 O\n0.878599 0.095059 0.699471 O\n0.137999 0.914335 0.300427 O\n0.761261 0.011069 0.488289 O\n0.939231 0.184427 0.403663 O\n0.851340 0.099226 0.227047 O\n0.549251 0.294462 0.583213 O\n0.474593 0.204447 0.397747 O\n0.647249 0.385414 0.314337 O\n0.270069 0.480283 0.495993 O\n0.515383 0.316316 0.106001 O\n0.167663 0.391261 0.286820 O\n0.331610 0.590271 0.200632 O\n0.241658 0.494458 0.025766 O\n0.948236 0.707803 0.380836 O\n0.857776 0.616200 0.198230 O\n0.017339 0.807947 0.102100 O\n0.667527 0.884704 0.282261 O\n0.575851 0.793006 0.089728 O\n0.350578 0.106397 0.180580 O\n0.261332 0.014029 0.001134 O\n0.071899 0.287316 0.099929 O\n",
"nsites": 69,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 5.358234126387961,
"density_atomic": 0.09478323250603811,
"volume": 727.9768602068345,
"volume_molar": 6.353592930707826,
"formula_full": "Co29 O40",
"formula_reduced": "Co29O40",
"formula_anonymous": "A29B40",
"energy": -486.30192632,
"energy_per_atom": -7.047854004637681,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -411.31992632,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 87.0019955,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.138000Z",
"spacegroup": 1
},
{
"id": "mp-764992",
"created_at": "2022-09-04T14:46:38.270989Z",
"structure_string": "Co29 Ge13 O56\n1.0\n6.644714 -7.866073 0.000000\n6.644714 7.866073 0.000000\n-2.667213 0.000000 9.945516\nCo Ge O\n29 13 56\ndirect\n0.801815 0.088551 0.732532 Co\n0.945234 0.160476 0.517746 Co\n0.661102 0.017659 0.943946 Co\n0.947405 0.661993 0.519712 Co\n0.661993 0.519712 0.947405 Co\n0.803215 0.089236 0.232336 Co\n0.875007 0.375360 0.375259 Co\n0.590049 0.232675 0.803695 Co\n0.750040 0.750040 0.750040 Co\n0.518227 0.447713 0.658837 Co\n0.375360 0.375259 0.875007 Co\n0.803695 0.590049 0.232675 Co\n0.943946 0.661102 0.017659 Co\n0.658837 0.518227 0.447713 Co\n0.302878 0.089764 0.232094 Co\n0.375593 0.375593 0.375593 Co\n0.732532 0.801815 0.088551 Co\n0.089236 0.232336 0.803215 Co\n0.160476 0.517746 0.945234 Co\n0.447713 0.658837 0.518227 Co\n0.519712 0.947405 0.661993 Co\n0.232094 0.302878 0.089764 Co\n0.089764 0.232094 0.302878 Co\n0.517746 0.945234 0.160476 Co\n0.232675 0.803695 0.590049 Co\n0.375259 0.875007 0.375360 Co\n0.088551 0.732532 0.801815 Co\n0.232336 0.803215 0.089236 Co\n0.017659 0.943946 0.661102 Co\n0.856478 0.428758 0.714325 Ge\n0.321704 0.036623 0.893437 Ge\n0.893437 0.321704 0.036623 Ge\n0.606493 0.177690 0.462680 Ge\n0.571941 0.286551 0.143331 Ge\n0.428758 0.714325 0.856478 Ge\n0.714325 0.856478 0.428758 Ge\n0.286551 0.143331 0.571941 Ge\n0.999205 0.999205 0.999205 Ge\n0.462680 0.606493 0.177690 Ge\n0.177690 0.462680 0.606493 Ge\n0.143331 0.571941 0.286551 Ge\n0.036623 0.893437 0.321704 Ge\n0.981607 0.053635 0.840457 O\n0.768256 0.200313 0.912688 O\n0.982982 0.053113 0.338814 O\n0.981094 0.551153 0.839135 O\n0.908997 0.268098 0.696225 O\n0.697340 0.410545 0.767558 O\n0.839521 0.482348 0.555196 O\n0.984314 0.554426 0.340826 O\n0.554426 0.340826 0.984314 O\n0.923077 0.768843 0.692693 O\n0.911357 0.269008 0.195721 O\n0.624690 0.127349 0.622610 O\n0.765539 0.196554 0.409638 O\n0.768843 0.692693 0.923077 O\n0.480523 0.055837 0.839522 O\n0.551673 0.335271 0.479093 O\n0.615699 0.615699 0.615699 O\n0.839522 0.480523 0.055837 O\n0.483090 0.052839 0.338872 O\n0.269008 0.195721 0.911357 O\n0.912688 0.768256 0.200313 O\n0.692693 0.923077 0.768843 O\n0.695868 0.411303 0.268331 O\n0.482348 0.555196 0.839521 O\n0.839135 0.981094 0.551153 O\n0.625614 0.126949 0.124568 O\n0.551153 0.839135 0.981094 O\n0.767558 0.697340 0.410545 O\n0.411303 0.268331 0.695868 O\n0.840457 0.981607 0.053635 O\n0.126949 0.124568 0.625614 O\n0.412178 0.268783 0.195794 O\n0.268098 0.696225 0.908997 O\n0.555196 0.839521 0.482348 O\n0.696225 0.908997 0.268098 O\n0.268783 0.195794 0.412178 O\n0.410545 0.767558 0.697340 O\n0.196554 0.409638 0.765539 O\n0.053113 0.338814 0.982982 O\n0.479093 0.551673 0.335271 O\n0.622610 0.624690 0.127349 O\n0.335271 0.479093 0.551673 O\n0.338872 0.483090 0.052839 O\n0.127349 0.622610 0.624690 O\n0.409638 0.765539 0.196554 O\n0.052839 0.338872 0.483090 O\n0.200313 0.912688 0.768256 O\n0.340826 0.984314 0.554426 O\n0.195794 0.412178 0.268783 O\n0.123114 0.123114 0.123114 O\n0.268331 0.695868 0.411303 O\n0.053635 0.840457 0.981607 O\n0.124568 0.625614 0.126949 O\n0.338814 0.982982 0.053113 O\n0.055837 0.839522 0.480523 O\n0.195721 0.911357 0.269008 O\n",
"nsites": 98,
"nelements": 3,
"elements": [
"Co",
"Ge",
"O"
],
"chemical_system": "Co-Ge-O",
"density": 5.668997003538637,
"density_atomic": 0.09426153206682363,
"volume": 1039.660589544907,
"volume_molar": 6.388757564146954,
"formula_full": "Co29 Ge13 O56",
"formula_reduced": "Co29Ge13O56",
"formula_anonymous": "A13B29C56",
"energy": -701.0435294199999,
"energy_per_atom": -7.153505402244897,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -615.06952942,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 87.0168163,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.087000Z",
"spacegroup": 146
},
{
"id": "mp-1245341",
"created_at": "2022-09-04T14:48:04.135222Z",
"structure_string": "Co28 Sn4 N24\n1.0\n9.795041 -0.000000 0.000000\n0.000000 5.869726 0.000000\n0.000000 0.000000 10.443712\nCo Sn N\n28 4 24\ndirect\n0.996798 0.714312 0.990117 Co\n0.503202 0.785688 0.490117 Co\n0.496798 0.785688 0.009883 Co\n0.003202 0.714312 0.509883 Co\n0.003202 0.285688 0.009883 Co\n0.496798 0.214312 0.509883 Co\n0.503202 0.214312 0.990117 Co\n0.996798 0.285688 0.490117 Co\n0.246559 0.746253 0.643824 Co\n0.253441 0.753747 0.143824 Co\n0.746559 0.753747 0.356176 Co\n0.753441 0.746253 0.856176 Co\n0.753441 0.253747 0.356176 Co\n0.746559 0.246253 0.856176 Co\n0.253441 0.246253 0.643824 Co\n0.246559 0.253747 0.143824 Co\n0.209209 0.507977 0.923486 Co\n0.290791 0.992023 0.423486 Co\n0.709209 0.992023 0.076514 Co\n0.790791 0.507977 0.576514 Co\n0.790791 0.492023 0.076514 Co\n0.709209 0.007977 0.576514 Co\n0.290791 0.007977 0.923486 Co\n0.209209 0.492023 0.423486 Co\n0.000000 0.451843 0.750000 Co\n0.500000 0.048157 0.250000 Co\n0.000000 0.548157 0.250000 Co\n0.500000 0.951843 0.750000 Co\n0.000000 0.906738 0.750000 Sn\n0.500000 0.593262 0.250000 Sn\n0.000000 0.093262 0.250000 Sn\n0.500000 0.406738 0.750000 Sn\n0.204611 0.503155 0.751106 N\n0.295389 0.996845 0.251106 N\n0.704611 0.996845 0.248894 N\n0.795389 0.503155 0.748894 N\n0.795389 0.496845 0.248894 N\n0.704611 0.003155 0.748894 N\n0.295389 0.003155 0.751106 N\n0.204611 0.496845 0.251106 N\n0.176057 0.782655 0.481621 N\n0.323943 0.717345 0.981621 N\n0.676057 0.717345 0.518379 N\n0.823943 0.782655 0.018379 N\n0.823943 0.217345 0.518379 N\n0.676057 0.282655 0.018379 N\n0.323943 0.282655 0.481621 N\n0.176057 0.217345 0.981621 N\n0.437468 0.714670 0.642548 N\n0.062532 0.785330 0.142548 N\n0.937468 0.785330 0.357452 N\n0.562532 0.714670 0.857452 N\n0.562532 0.285330 0.357452 N\n0.937468 0.214670 0.857452 N\n0.062532 0.214670 0.642548 N\n0.437468 0.285330 0.142548 N\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Co",
"Sn",
"N"
],
"chemical_system": "Co-N-Sn",
"density": 6.806200265713221,
"density_atomic": 0.09326292949167923,
"volume": 600.4529377880654,
"volume_molar": 6.45716448413438,
"formula_full": "Co28 Sn4 N24",
"formula_reduced": "Co7SnN6",
"formula_anonymous": "AB6C7",
"energy": -406.57094632,
"energy_per_atom": -7.26019547,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -397.90694632,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.88354,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.716000Z",
"spacegroup": 60
},
{
"id": "mp-1247482",
"created_at": "2022-09-04T14:44:09.507967Z",
"structure_string": "Co28 Si4 N24\n1.0\n9.263015 0.000000 0.000000\n0.000000 5.392926 0.000000\n0.000000 0.000000 11.578885\nCo Si N\n28 4 24\ndirect\n0.006799 0.756298 0.035272 Co\n0.493201 0.743702 0.535272 Co\n0.506799 0.743702 0.964728 Co\n0.993201 0.756298 0.464728 Co\n0.993201 0.243702 0.964728 Co\n0.506799 0.256298 0.464728 Co\n0.493201 0.256298 0.035272 Co\n0.006799 0.243702 0.535272 Co\n0.227914 0.627920 0.618371 Co\n0.272086 0.872080 0.118371 Co\n0.727914 0.872080 0.381629 Co\n0.772086 0.627920 0.881629 Co\n0.772086 0.372080 0.381629 Co\n0.727914 0.127920 0.881629 Co\n0.272086 0.127920 0.618371 Co\n0.227914 0.372080 0.118371 Co\n0.183168 0.561748 0.911780 Co\n0.316832 0.938252 0.411780 Co\n0.683168 0.938252 0.088220 Co\n0.816832 0.561748 0.588220 Co\n0.816832 0.438252 0.088220 Co\n0.683168 0.061748 0.588220 Co\n0.316832 0.061748 0.911780 Co\n0.183168 0.438252 0.411780 Co\n0.000000 0.385884 0.750000 Co\n0.500000 0.114116 0.250000 Co\n0.000000 0.614116 0.250000 Co\n0.500000 0.885884 0.750000 Co\n0.000000 0.880586 0.750000 Si\n0.500000 0.619414 0.250000 Si\n0.000000 0.119414 0.250000 Si\n0.500000 0.380586 0.750000 Si\n0.137360 0.655518 0.764368 N\n0.362640 0.844482 0.264368 N\n0.637360 0.844482 0.235632 N\n0.862640 0.655518 0.735632 N\n0.862640 0.344482 0.235632 N\n0.637360 0.155518 0.735632 N\n0.362640 0.155518 0.764368 N\n0.137360 0.344482 0.264368 N\n0.182732 0.744213 0.475075 N\n0.317268 0.755787 0.975075 N\n0.682732 0.755787 0.524925 N\n0.817268 0.744213 0.024925 N\n0.817268 0.255787 0.524925 N\n0.682732 0.244213 0.024925 N\n0.317268 0.244213 0.475075 N\n0.182732 0.255787 0.975075 N\n0.419766 0.614725 0.665672 N\n0.080234 0.885275 0.165672 N\n0.919766 0.885275 0.334328 N\n0.580234 0.614725 0.834328 N\n0.580234 0.385275 0.334328 N\n0.919766 0.114725 0.834328 N\n0.080234 0.114725 0.665672 N\n0.419766 0.385275 0.165672 N\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Co",
"Si",
"N"
],
"chemical_system": "Co-N-Si",
"density": 6.024789434480743,
"density_atomic": 0.09681540309664168,
"volume": 578.4203567700946,
"volume_molar": 6.22023001235523,
"formula_full": "Co28 Si4 N24",
"formula_reduced": "Co7SiN6",
"formula_anonymous": "AB6C7",
"energy": -420.3994646,
"energy_per_atom": -7.507133296428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -411.7354646,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1298172,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.491000Z",
"spacegroup": 60
},
{
"id": "mp-1245898",
"created_at": "2022-09-04T14:42:25.609284Z",
"structure_string": "Co28 Ge4 N24\n1.0\n10.013913 0.000000 0.000000\n0.000000 5.584838 0.000000\n0.000000 0.000000 11.017647\nCo Ge N\n28 4 24\ndirect\n0.987729 0.729876 0.032336 Co\n0.512271 0.770124 0.532336 Co\n0.487729 0.770124 0.967664 Co\n0.012271 0.729876 0.467664 Co\n0.012271 0.270124 0.967664 Co\n0.487729 0.229876 0.467664 Co\n0.512271 0.229876 0.032336 Co\n0.987729 0.270124 0.532336 Co\n0.243059 0.682549 0.611862 Co\n0.256941 0.817451 0.111862 Co\n0.743059 0.817451 0.388138 Co\n0.756941 0.682549 0.888138 Co\n0.756941 0.317451 0.388138 Co\n0.743059 0.182549 0.888138 Co\n0.256941 0.182549 0.611862 Co\n0.243059 0.317451 0.111862 Co\n0.175665 0.594177 0.907220 Co\n0.324335 0.905823 0.407220 Co\n0.675665 0.905823 0.092780 Co\n0.824335 0.594177 0.592780 Co\n0.824335 0.405823 0.092780 Co\n0.675665 0.094177 0.592780 Co\n0.324335 0.094177 0.907220 Co\n0.175665 0.405823 0.407220 Co\n0.000000 0.428359 0.750000 Co\n0.500000 0.071641 0.250000 Co\n0.000000 0.571641 0.250000 Co\n0.500000 0.928359 0.750000 Co\n0.000000 0.916034 0.750000 Ge\n0.500000 0.583966 0.250000 Ge\n0.000000 0.083966 0.250000 Ge\n0.500000 0.416034 0.750000 Ge\n0.137138 0.667136 0.749125 N\n0.362862 0.832864 0.249125 N\n0.637138 0.832864 0.250875 N\n0.862862 0.667136 0.750875 N\n0.862862 0.332864 0.250875 N\n0.637138 0.167136 0.750875 N\n0.362862 0.167136 0.749125 N\n0.137138 0.332864 0.249125 N\n0.190051 0.716509 0.455496 N\n0.309949 0.783491 0.955496 N\n0.690051 0.783491 0.544504 N\n0.809949 0.716509 0.044504 N\n0.809949 0.283491 0.544504 N\n0.690051 0.216509 0.044504 N\n0.309949 0.216509 0.455496 N\n0.190051 0.283491 0.955496 N\n0.415253 0.679956 0.662143 N\n0.084747 0.820044 0.162143 N\n0.915253 0.820044 0.337857 N\n0.584747 0.679956 0.837857 N\n0.584747 0.320044 0.337857 N\n0.915253 0.179956 0.837857 N\n0.084747 0.179956 0.662143 N\n0.415253 0.320044 0.162143 N\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Co",
"Ge",
"N"
],
"chemical_system": "Co-Ge-N",
"density": 6.135928911877329,
"density_atomic": 0.0908834446738328,
"volume": 616.1738279284604,
"volume_molar": 6.626224150737871,
"formula_full": "Co28 Ge4 N24",
"formula_reduced": "Co7GeN6",
"formula_anonymous": "AB6C7",
"energy": -408.95157237,
"energy_per_atom": -7.302706649464286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -400.28757237,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0917136,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.528000Z",
"spacegroup": 60
},
{
"id": "mp-1193227",
"created_at": "2022-09-04T14:43:08.956862Z",
"structure_string": "Co28\n1.0\n8.367035 0.000000 0.000000\n0.000000 8.367035 0.000000\n0.000000 0.000000 4.555476\nCo\n28\ndirect\n0.905962 0.094038 0.500000 Co\n0.094038 0.905962 0.500000 Co\n0.405962 0.405962 0.000000 Co\n0.594038 0.594038 0.000000 Co\n0.973270 0.361966 0.500000 Co\n0.026730 0.638034 0.500000 Co\n0.473270 0.138034 0.000000 Co\n0.526730 0.861966 0.000000 Co\n0.361966 0.973270 0.500000 Co\n0.638034 0.026730 0.500000 Co\n0.138034 0.473270 0.000000 Co\n0.861966 0.526730 0.000000 Co\n0.251739 0.444409 0.500000 Co\n0.748261 0.555591 0.500000 Co\n0.751739 0.055591 0.000000 Co\n0.248261 0.944409 0.000000 Co\n0.444409 0.251739 0.500000 Co\n0.555591 0.748261 0.500000 Co\n0.055591 0.751739 0.000000 Co\n0.944409 0.248261 0.000000 Co\n0.686348 0.313652 0.249566 Co\n0.313652 0.686348 0.249566 Co\n0.186348 0.186348 0.749566 Co\n0.813652 0.813652 0.749566 Co\n0.313652 0.686348 0.750434 Co\n0.686348 0.313652 0.750434 Co\n0.813652 0.813652 0.250434 Co\n0.186348 0.186348 0.250434 Co\n",
"nsites": 28,
"nelements": 1,
"elements": [
"Co"
],
"chemical_system": "Co",
"density": 8.591919137745206,
"density_atomic": 0.0877972871891984,
"volume": 318.91645968128284,
"volume_molar": 6.859142181719821,
"formula_full": "Co28",
"formula_reduced": "Co",
"formula_anonymous": "A",
"energy": -195.49535593,
"energy_per_atom": -6.9819769974999994,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -195.49535593,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 46.495207,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.629000Z",
"spacegroup": 136
},
{
"id": "mp-684829",
"created_at": "2022-09-04T14:43:55.703878Z",
"structure_string": "Co27 Se32\n1.0\n10.339869 0.000000 0.000000\n-5.055276 -9.469285 0.000000\n-5.157911 1.371802 -9.355092\nCo Se\n27 32\ndirect\n0.480325 0.367657 0.120430 Co\n0.979333 0.617491 0.870118 Co\n0.500846 0.245754 0.754545 Co\n0.749948 0.875026 0.624436 Co\n0.249981 0.514597 0.484960 Co\n0.477771 0.865635 0.617696 Co\n0.000000 0.500000 0.500000 Co\n0.999297 0.749450 0.249664 Co\n0.250052 0.124974 0.375564 Co\n0.752644 0.769830 0.239229 Co\n0.975309 0.113491 0.366549 Co\n0.744581 0.989968 0.013090 Co\n0.499154 0.754246 0.245455 Co\n0.745669 0.368213 0.123064 Co\n0.255419 0.010032 0.986910 Co\n0.247356 0.230170 0.760771 Co\n0.000000 0.000000 0.000000 Co\n0.000703 0.250550 0.750336 Co\n0.254331 0.631787 0.876936 Co\n0.753366 0.267683 0.739324 Co\n0.522229 0.134365 0.382304 Co\n0.750019 0.485403 0.515040 Co\n0.500000 0.500000 0.500000 Co\n0.020667 0.382509 0.129882 Co\n0.246634 0.732317 0.260676 Co\n0.519675 0.632343 0.879570 Co\n0.024691 0.886509 0.633451 Co\n0.039993 0.421600 0.913478 Se\n0.699257 0.459578 0.710096 Se\n0.536042 0.669126 0.662560 Se\n0.534990 0.912986 0.418617 Se\n0.198970 0.709052 0.459200 Se\n0.211629 0.959136 0.209503 Se\n0.787595 0.539338 0.290281 Se\n0.038081 0.919648 0.414203 Se\n0.035375 0.162298 0.169195 Se\n0.466179 0.589433 0.080044 Se\n0.698118 0.961820 0.205950 Se\n0.721463 0.211570 0.958896 Se\n0.278537 0.788430 0.041104 Se\n0.533223 0.168610 0.163262 Se\n0.301882 0.038180 0.794050 Se\n0.533821 0.410567 0.919956 Se\n0.964625 0.837702 0.830805 Se\n0.201065 0.207292 0.959709 Se\n0.961919 0.080352 0.585797 Se\n0.212405 0.460662 0.709719 Se\n0.788371 0.040864 0.790497 Se\n0.801030 0.290948 0.540800 Se\n0.035546 0.663628 0.670045 Se\n0.465010 0.087014 0.581383 Se\n0.463958 0.330874 0.337440 Se\n0.710767 0.709076 0.457830 Se\n0.289233 0.290924 0.542170 Se\n0.300743 0.540422 0.289904 Se\n0.964454 0.336372 0.329955 Se\n0.960007 0.578400 0.086522 Se\n0.798935 0.792708 0.040291 Se\n0.466777 0.831390 0.836738 Se\n",
"nsites": 59,
"nelements": 2,
"elements": [
"Co",
"Se"
],
"chemical_system": "Co-Se",
"density": 7.465283784000802,
"density_atomic": 0.0644127327050428,
"volume": 915.967969720697,
"volume_molar": 9.349301771710943,
"formula_full": "Co27 Se32",
"formula_reduced": "Co27Se32",
"formula_anonymous": "A27B32",
"energy": -332.45768828,
"energy_per_atom": -5.634876072542373,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -317.35368828,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.3384498,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.467000Z",
"spacegroup": 2
},
{
"id": "mp-530751",
"created_at": "2022-09-04T14:46:19.132816Z",
"structure_string": "Co25 Ru5 O40\n1.0\n5.267389 -0.022950 2.989419\n1.735653 4.872889 2.986730\n0.010298 -0.009392 29.876940\nCo O Ru\n25 40 5\ndirect\n0.126360 0.107290 0.026330 Co\n0.000000 0.500000 0.100000 Co\n0.499803 0.494925 0.001062 Co\n0.103844 0.128013 0.227041 Co\n0.500000 0.500000 0.100000 Co\n0.500197 0.505075 0.198938 Co\n0.101616 0.133669 0.426417 Co\n0.505355 0.496095 0.299705 Co\n0.873640 0.892710 0.173670 Co\n0.504149 0.498762 0.399711 Co\n0.096889 0.134606 0.626877 Co\n0.504803 -0.000687 0.299396 Co\n0.502530 0.500001 0.499560 Co\n0.907351 0.863031 0.372777 Co\n0.502732 -0.001120 0.499745 Co\n0.092649 0.136969 0.827223 Co\n0.500000 0.500000 0.600000 Co\n0.497470 0.499999 0.700440 Co\n0.495198 1.000687 0.900604 Co\n0.497268 1.001120 0.700255 Co\n0.903111 0.865394 0.573123 Co\n0.495851 0.501238 0.800289 Co\n0.494644 0.503905 0.900295 Co\n0.898384 0.866331 0.773583 Co\n0.896156 0.871987 0.972959 Co\n0.264582 0.237433 0.053054 O\n0.265009 0.237731 0.146398 O\n0.263211 0.709542 0.053677 O\n0.727553 0.240431 0.053025 O\n0.272447 0.759569 0.146975 O\n0.239344 0.267093 0.252597 O\n0.736789 0.290458 0.146323 O\n0.734991 0.762269 0.053602 O\n0.241511 0.262952 0.345651 O\n0.243431 0.723786 0.253489 O\n0.709767 0.259994 0.253756 O\n0.735418 0.762567 0.146946 O\n0.301756 0.731798 0.346298 O\n0.241051 0.268687 0.452213 O\n0.762700 0.732743 0.254447 O\n0.766599 0.267321 0.345729 O\n0.239263 0.264858 0.546001 O\n0.239090 0.729767 0.453202 O\n0.768067 0.726629 0.347149 O\n0.708442 0.264339 0.452568 O\n0.296698 0.733450 0.547026 O\n0.235031 0.269385 0.653012 O\n0.766381 0.269812 0.546226 O\n0.766781 0.733153 0.453551 O\n0.233219 0.266847 0.746449 O\n0.233619 0.730188 0.653774 O\n0.764969 0.730615 0.546988 O\n0.703302 0.266550 0.652974 O\n0.231933 0.273371 0.852851 O\n0.291558 0.735661 0.747432 O\n0.760737 0.735142 0.653999 O\n0.760910 0.270233 0.746798 O\n0.237300 0.267257 0.945553 O\n0.233401 0.732679 0.854271 O\n0.698244 0.268202 0.853702 O\n0.758949 0.731313 0.747787 O\n0.290233 0.740006 0.946244 O\n0.756569 0.276214 0.946511 O\n0.758489 0.737048 0.854349 O\n0.760656 0.732907 0.947403 O\n0.500000 0.000000 0.100000 Ru\n0.002979 0.499040 0.499851 Ru\n1.003224 0.495901 0.299996 Ru\n-0.003224 0.504099 0.900004 Ru\n0.997021 0.500960 0.700149 Ru\n",
"nsites": 70,
"nelements": 3,
"elements": [
"Co",
"O",
"Ru"
],
"chemical_system": "Co-O-Ru",
"density": 5.661940128051375,
"density_atomic": 0.0911456160932971,
"volume": 768.0018304813218,
"volume_molar": 6.6071644672802545,
"formula_full": "Co25 Ru5 O40",
"formula_reduced": "Co5RuO8",
"formula_anonymous": "AB5C8",
"energy": -509.43326376,
"energy_per_atom": -7.277618053714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -441.00326376,
"band_gap": 0.0049999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 66.9225315,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.387000Z",
"spacegroup": 2
},
{
"id": "mp-1329603",
"created_at": "2022-09-04T14:43:15.337929Z",
"structure_string": "Co25 Ru5 O40\n1.0\n-5.973115 0.000000 0.000000\n2.966457 5.257618 0.000000\n-0.018222 -3.199772 -24.455267\nCo Ru O\n25 5 40\ndirect\n0.512640 0.979020 0.073670 Co\n0.000000 0.000000 0.000000 Co\n0.197916 0.301928 0.098938 Co\n0.112980 0.357926 0.872959 Co\n0.500000 0.500000 0.000000 Co\n0.802084 0.698072 0.901062 Co\n0.714538 0.754451 0.673583 Co\n0.100565 0.904765 0.800295 Co\n0.487360 0.020980 0.926330 Co\n0.402044 0.103571 0.700289 Co\n0.312125 0.150643 0.473123 Co\n0.602304 0.903595 0.800604 Co\n0.701211 0.301650 0.600440 Co\n0.088713 0.452905 0.727223 Co\n0.200846 0.302221 0.600255 Co\n0.911287 0.547095 0.272777 Co\n0.000000 0.500000 0.500000 Co\n0.298789 0.698350 0.399560 Co\n0.397696 0.096405 0.199396 Co\n0.799154 0.697779 0.399745 Co\n0.687875 0.849357 0.526877 Co\n0.597956 0.896429 0.299711 Co\n0.899435 0.095235 0.199705 Co\n0.285462 0.245549 0.326417 Co\n0.887020 0.642074 0.127041 Co\n0.000000 0.500000 0.000000 Ru\n0.201573 0.802681 0.600149 Ru\n0.599112 0.403216 0.800004 Ru\n0.400888 0.596784 0.199996 Ru\n0.798427 0.197319 0.399851 Ru\n0.861178 0.170691 0.046946 O\n0.141934 0.357805 0.953602 O\n0.333783 0.170564 0.046323 O\n0.327061 0.633604 0.046975 O\n0.672939 0.366396 0.953025 O\n0.464227 0.544537 0.847403 O\n0.666217 0.829436 0.953677 O\n0.858066 0.642195 0.046398 O\n0.741416 0.732813 0.754349 O\n0.927683 0.550408 0.846511 O\n0.931030 0.017279 0.846244 O\n0.138822 0.829309 0.953054 O\n0.272450 0.794353 0.753702 O\n0.066376 0.945476 0.647787 O\n0.458785 0.071595 0.845553 O\n0.271107 0.258057 0.754271 O\n0.342124 0.131265 0.553999 O\n0.528463 0.945494 0.646798 O\n0.736143 0.262365 0.752851 O\n0.530484 0.413578 0.647432 O\n0.871225 0.190750 0.552974 O\n0.663452 0.341055 0.446988 O\n0.874871 0.658833 0.553774 O\n0.060589 0.473884 0.646449 O\n0.939411 0.526116 0.353551 O\n0.125129 0.341167 0.446226 O\n0.336548 0.658945 0.553012 O\n0.128775 0.809250 0.447026 O\n0.263857 0.737635 0.247149 O\n0.469516 0.586422 0.352568 O\n0.657876 0.868735 0.446001 O\n0.471537 0.054506 0.353202 O\n0.541215 0.928405 0.154447 O\n0.728893 0.741943 0.245729 O\n0.727550 0.205647 0.246298 O\n0.933624 0.054524 0.352213 O\n0.068970 0.982721 0.153756 O\n0.072317 0.449592 0.153489 O\n0.258584 0.267187 0.245651 O\n0.535773 0.455463 0.152597 O\n",
"nsites": 70,
"nelements": 3,
"elements": [
"Co",
"Ru",
"O"
],
"chemical_system": "Co-O-Ru",
"density": 5.6619393653767425,
"density_atomic": 0.09114560381580074,
"volume": 768.0019339327148,
"volume_molar": 6.607165357278614,
"formula_full": "Co25 Ru5 O40",
"formula_reduced": "Co5RuO8",
"formula_anonymous": "AB5C8",
"energy": -501.2112207,
"energy_per_atom": -7.160160295714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -432.7812207,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 74.992714,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.195000Z",
"spacegroup": 2
},
{
"id": "mp-758061",
"created_at": "2022-09-04T14:44:22.665984Z",
"structure_string": "Co25 Cu11 O48\n1.0\n8.625504 4.962158 0.000000\n-8.625504 4.962158 0.000000\n0.000000 3.271075 9.371212\nCo Cu O\n25 11 48\ndirect\n0.146177 0.146177 0.062318 Co\n0.251030 0.417820 0.248693 Co\n0.084752 0.584706 0.249825 Co\n0.417820 0.251030 0.248693 Co\n0.251653 0.917295 0.250325 Co\n0.000781 0.666831 0.500283 Co\n0.332057 0.332057 0.499324 Co\n0.081411 0.081411 0.750177 Co\n0.583738 0.583738 0.250686 Co\n0.917437 0.750579 0.251730 Co\n0.584706 0.084752 0.249825 Co\n0.082901 0.583399 0.749947 Co\n0.750579 0.917437 0.251730 Co\n0.416186 0.248906 0.748957 Co\n0.248906 0.416186 0.748957 Co\n0.166721 0.501482 0.999236 Co\n0.666831 0.000781 0.500283 Co\n0.415483 0.750073 0.749314 Co\n0.917295 0.251653 0.250325 Co\n0.914535 0.748157 0.751003 Co\n0.748157 0.914535 0.751003 Co\n0.583399 0.082901 0.749947 Co\n0.750073 0.415483 0.749314 Co\n0.501482 0.166721 0.999236 Co\n0.832003 0.832003 0.001699 Co\n0.020808 0.020808 0.439577 Cu\n0.481279 0.813570 0.062296 Cu\n0.355208 0.687277 0.437075 Cu\n0.311697 0.978746 0.561728 Cu\n0.813570 0.481279 0.062296 Cu\n0.644679 0.644679 0.564133 Cu\n0.687277 0.355208 0.437075 Cu\n0.186990 0.854197 0.937756 Cu\n0.519489 0.519489 0.934795 Cu\n0.978746 0.311697 0.561728 Cu\n0.854197 0.186990 0.937756 Cu\n0.046645 0.859839 0.369874 O\n0.309214 0.122307 0.130703 O\n0.122307 0.309214 0.130703 O\n0.050861 0.383938 0.353385 O\n0.272012 0.605290 0.131309 O\n0.118383 0.785167 0.146399 O\n0.229119 0.229119 0.365455 O\n0.452482 0.452482 0.144296 O\n0.525031 0.377915 0.367681 O\n0.193182 0.711886 0.368747 O\n0.023091 0.875421 0.869462 O\n0.377915 0.525031 0.367681 O\n0.457190 0.975496 0.131514 O\n0.789877 0.641859 0.133883 O\n0.139434 0.286705 0.631771 O\n0.286705 0.139434 0.631771 O\n0.641859 0.789877 0.133883 O\n0.937331 0.937331 0.133725 O\n0.605290 0.272012 0.131309 O\n0.102851 0.770611 0.633470 O\n0.383938 0.050861 0.353385 O\n0.436080 0.436080 0.632566 O\n0.716898 0.716898 0.355707 O\n0.215182 0.215182 0.853146 O\n0.061901 0.396457 0.866981 O\n0.282988 0.617297 0.645588 O\n0.563325 0.897240 0.367817 O\n0.785167 0.118383 0.146399 O\n0.210760 0.692957 0.867688 O\n0.711886 0.193182 0.368747 O\n0.358128 0.544792 0.866868 O\n0.859839 0.046645 0.369874 O\n0.544792 0.358128 0.866868 O\n0.620644 0.807401 0.631413 O\n0.807401 0.620644 0.631413 O\n0.474248 0.956033 0.631334 O\n0.975496 0.457190 0.131514 O\n0.770611 0.102851 0.633470 O\n0.547835 0.881546 0.853923 O\n0.897240 0.563325 0.367817 O\n0.396457 0.061901 0.866981 O\n0.617297 0.282988 0.645588 O\n0.727252 0.727252 0.869078 O\n0.947862 0.947862 0.647362 O\n0.692957 0.210760 0.867688 O\n0.875421 0.023091 0.869462 O\n0.956033 0.474248 0.631334 O\n0.881546 0.547835 0.853923 O\n",
"nsites": 84,
"nelements": 3,
"elements": [
"Co",
"Cu",
"O"
],
"chemical_system": "Co-Cu-O",
"density": 6.0864065526837265,
"density_atomic": 0.10471248305326078,
"volume": 802.1966202183781,
"volume_molar": 5.751120195418256,
"formula_full": "Co25 Cu11 O48",
"formula_reduced": "Co25Cu11O48",
"formula_anonymous": "A11B25C48",
"energy": -561.7803447,
"energy_per_atom": -6.687861246428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -487.85434470000007,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9990285,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.942000Z",
"spacegroup": 8
}
]
}