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=-is_magnetic&page=64",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=62",
"results": [
{
"id": "mp-764383",
"created_at": "2022-09-04T14:45:41.260851Z",
"structure_string": "Mn4 Fe4 Co4 P12 O48\n1.0\n6.006562 0.000000 0.000000\n0.000000 9.855082 0.000000\n0.000000 0.076285 14.654236\nMn Fe Co P O\n4 4 4 12 48\ndirect\n0.000000 0.215905 0.812266 Mn\n0.000000 0.213288 0.480414 Mn\n0.500000 0.283033 0.646046 Mn\n0.500000 0.283552 0.313244 Mn\n0.000000 0.225495 0.153938 Fe\n0.500000 0.276915 0.985102 Fe\n0.000000 0.729117 0.344107 Fe\n0.000000 0.726849 0.008879 Fe\n0.000000 0.726444 0.677073 Co\n0.500000 0.771845 0.176520 Co\n0.500000 0.774120 0.514140 Co\n0.500000 0.772821 0.840625 Co\n0.500000 0.098477 0.472750 P\n0.500000 0.097383 0.805315 P\n0.500000 0.099239 0.140344 P\n0.000000 0.400303 0.970579 P\n0.000000 0.401111 0.307329 P\n0.000000 0.400688 0.639510 P\n0.500000 0.601684 0.027615 P\n0.500000 0.601529 0.362418 P\n0.500000 0.598098 0.696039 P\n0.000000 0.900430 0.529680 P\n0.000000 0.900861 0.860379 P\n0.000000 0.901285 0.194906 P\n0.000000 0.053293 0.882427 O\n0.000000 0.053007 0.553687 O\n0.000000 0.053351 0.216466 O\n0.500000 0.119946 0.244417 O\n0.500000 0.118691 0.576682 O\n0.500000 0.117692 0.908452 O\n0.299700 0.170987 0.424449 O\n0.700300 0.170987 0.424449 O\n0.298912 0.167953 0.756594 O\n0.701088 0.167953 0.756594 O\n0.300325 0.171686 0.091559 O\n0.699675 0.171686 0.091559 O\n0.801986 0.327313 0.257065 O\n0.198014 0.327313 0.257065 O\n0.795670 0.328446 0.925144 O\n0.204330 0.328446 0.925144 O\n0.799457 0.329856 0.591120 O\n0.200543 0.329856 0.591120 O\n0.000000 0.379094 0.074659 O\n0.000000 0.378910 0.410840 O\n0.000000 0.381035 0.743665 O\n0.500000 0.450174 0.048955 O\n0.500000 0.447887 0.383174 O\n0.500000 0.445179 0.717544 O\n0.000000 0.552853 0.949384 O\n0.000000 0.552204 0.286481 O\n0.000000 0.555312 0.620803 O\n0.500000 0.623567 0.257651 O\n0.500000 0.627105 0.923682 O\n0.500000 0.621145 0.591110 O\n0.297881 0.672728 0.409711 O\n0.702119 0.672728 0.409711 O\n0.298743 0.674670 0.075796 O\n0.701257 0.674670 0.075796 O\n0.298954 0.669834 0.743650 O\n0.701046 0.669834 0.743650 O\n0.798791 0.827668 0.578125 O\n0.201209 0.827668 0.578125 O\n0.799977 0.829688 0.909570 O\n0.200023 0.829688 0.909570 O\n0.800873 0.827966 0.244982 O\n0.199127 0.827966 0.244982 O\n0.000000 0.876776 0.756284 O\n0.000000 0.879972 0.091904 O\n0.000000 0.882192 0.426255 O\n0.500000 0.944532 0.452671 O\n0.500000 0.942883 0.784705 O\n0.500000 0.945125 0.122606 O\n",
"nsites": 72,
"nelements": 5,
"elements": [
"Mn",
"Fe",
"Co",
"P",
"O"
],
"chemical_system": "Co-Fe-Mn-O-P",
"density": 3.4811128534976112,
"density_atomic": 0.08300095867871009,
"volume": 867.4598600566302,
"volume_molar": 7.255507473487402,
"formula_full": "Mn4 Fe4 Co4 P12 O48",
"formula_reduced": "MnFeCo(PO4)3",
"formula_anonymous": "ABCD3E12",
"energy": -563.54602672,
"energy_per_atom": -7.827028148888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -508.32202672,
"band_gap": 0.5416999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 52.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.415000Z",
"spacegroup": 6
},
{
"id": "mp-1217086",
"created_at": "2022-09-04T14:45:41.505045Z",
"structure_string": "Tm2 Mn12 In1 Sn11\n1.0\n-2.722209 -4.718222 0.000000\n-5.445354 0.000541 0.000000\n0.000000 0.000000 -18.051863\nTm Mn In Sn\n2 12 1 11\ndirect\n0.000005 0.999941 0.999960 Tm\n0.000005 0.999941 0.500040 Tm\n0.499788 0.499805 0.122885 Mn\n0.499950 0.499983 0.623280 Mn\n0.499760 0.000485 0.122903 Mn\n0.499995 0.000024 0.623300 Mn\n0.000458 0.499760 0.122886 Mn\n0.000001 0.500022 0.623288 Mn\n0.499788 0.499805 0.377115 Mn\n0.499950 0.499983 0.876720 Mn\n0.499760 0.000485 0.377097 Mn\n0.499995 0.000024 0.876700 Mn\n0.000458 0.499760 0.377114 Mn\n0.000001 0.500022 0.876712 Mn\n0.666733 0.666791 0.250000 In\n0.666599 0.666738 0.500047 Sn\n0.666599 0.666738 0.999953 Sn\n0.333311 0.333253 0.999920 Sn\n0.333311 0.333253 0.500080 Sn\n0.999902 0.999999 0.166616 Sn\n0.000002 0.999966 0.666694 Sn\n0.999902 0.999999 0.333384 Sn\n0.000002 0.999966 0.833306 Sn\n0.666680 0.666672 0.750000 Sn\n0.333373 0.333221 0.250000 Sn\n0.333270 0.333364 0.750000 Sn\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Tm",
"Mn",
"In",
"Sn"
],
"chemical_system": "In-Mn-Sn-Tm",
"density": 8.655847754487846,
"density_atomic": 0.05605597825054095,
"volume": 463.8220723540597,
"volume_molar": 10.743083874273278,
"formula_full": "Tm2 Mn12 In1 Sn11",
"formula_reduced": "Tm2Mn12InSn11",
"formula_anonymous": "AB2C11D12",
"energy": -168.63470512,
"energy_per_atom": -6.485950196923077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -168.63470512,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 26.2586471,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.718000Z",
"spacegroup": 187
},
{
"id": "mp-1205282",
"created_at": "2022-09-04T14:45:41.509471Z",
"structure_string": "K8 Co8 Mo24 As24 O144\n1.0\n15.202955 0.000000 0.000000\n-0.000000 15.202955 0.000000\n0.000000 0.000000 15.202955\nK Co Mo As O\n8 8 24 24 144\ndirect\n0.251804 0.751804 0.748196 K\n0.748196 0.251804 0.751804 K\n0.248196 0.248196 0.248196 K\n0.751804 0.748196 0.251804 K\n0.748196 0.248196 0.251804 K\n0.251804 0.748196 0.248196 K\n0.751804 0.751804 0.751804 K\n0.248196 0.251804 0.748196 K\n0.500000 0.500000 -0.000000 Co\n0.500000 0.000000 0.500000 Co\n-0.000000 0.500000 0.500000 Co\n-0.000000 0.000000 -0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 -0.000000 Co\n-0.000000 0.500000 -0.000000 Co\n-0.000000 0.000000 0.500000 Co\n0.341386 0.502746 0.840495 Mo\n0.658614 0.002746 0.659505 Mo\n0.158614 0.497254 0.340495 Mo\n0.841386 0.997254 0.159505 Mo\n0.840495 0.341386 0.502746 Mo\n0.659505 0.658614 0.002746 Mo\n0.340495 0.158614 0.497254 Mo\n0.159505 0.841386 0.997254 Mo\n0.502746 0.840495 0.341386 Mo\n0.002746 0.659505 0.658614 Mo\n0.497254 0.340495 0.158614 Mo\n0.997254 0.159505 0.841386 Mo\n0.658614 0.497254 0.159505 Mo\n0.341386 0.997254 0.340495 Mo\n0.841386 0.502746 0.659505 Mo\n0.158614 0.002746 0.840495 Mo\n0.159505 0.658614 0.497254 Mo\n0.340495 0.341386 0.997254 Mo\n0.659505 0.841386 0.502746 Mo\n0.840495 0.158614 0.002746 Mo\n0.497254 0.159505 0.658614 Mo\n0.997254 0.340495 0.341386 Mo\n0.502746 0.659505 0.841386 Mo\n0.002746 0.840495 0.158614 Mo\n0.511376 0.344632 0.831453 As\n0.488624 0.844632 0.668547 As\n0.988624 0.655368 0.331453 As\n0.011376 0.155368 0.168547 As\n0.831453 0.511376 0.344632 As\n0.668547 0.488624 0.844632 As\n0.331453 0.988624 0.655368 As\n0.168547 0.011376 0.155368 As\n0.344632 0.831453 0.511376 As\n0.844632 0.668547 0.488624 As\n0.655368 0.331453 0.988624 As\n0.155368 0.168547 0.011376 As\n0.488624 0.655368 0.168547 As\n0.511376 0.155368 0.331453 As\n0.011376 0.344632 0.668547 As\n0.988624 0.844632 0.831453 As\n0.168547 0.488624 0.655368 As\n0.331453 0.511376 0.155368 As\n0.668547 0.011376 0.344632 As\n0.831453 0.988624 0.844632 As\n0.655368 0.168547 0.488624 As\n0.155368 0.331453 0.511376 As\n0.344632 0.668547 0.011376 As\n0.844632 0.831453 0.988624 As\n0.454589 0.418298 0.912626 O\n0.545411 0.918298 0.587374 O\n0.045411 0.581702 0.412626 O\n0.954589 0.081702 0.087374 O\n0.912626 0.454589 0.418298 O\n0.587374 0.545411 0.918298 O\n0.412626 0.045411 0.581702 O\n0.087374 0.954589 0.081702 O\n0.418298 0.912626 0.454589 O\n0.918298 0.587374 0.545411 O\n0.581702 0.412626 0.045411 O\n0.081702 0.087374 0.954589 O\n0.545411 0.581702 0.087374 O\n0.454589 0.081702 0.412626 O\n0.954589 0.418298 0.587374 O\n0.045411 0.918298 0.912626 O\n0.087374 0.545411 0.581702 O\n0.412626 0.454589 0.081702 O\n0.587374 0.954589 0.418298 O\n0.912626 0.045411 0.918298 O\n0.581702 0.087374 0.545411 O\n0.081702 0.412626 0.454589 O\n0.418298 0.587374 0.954589 O\n0.918298 0.912626 0.045411 O\n0.264921 0.585934 0.823907 O\n0.735079 0.085934 0.676093 O\n0.235079 0.414066 0.323907 O\n0.764921 0.914066 0.176093 O\n0.823907 0.264921 0.585934 O\n0.676093 0.735079 0.085934 O\n0.323907 0.235079 0.414066 O\n0.176093 0.764921 0.914066 O\n0.585934 0.823907 0.264921 O\n0.085934 0.676093 0.735079 O\n0.414066 0.323907 0.235079 O\n0.914066 0.176093 0.764921 O\n0.735079 0.414066 0.176093 O\n0.264921 0.914066 0.323907 O\n0.764921 0.585934 0.676093 O\n0.235079 0.085934 0.823907 O\n0.176093 0.735079 0.414066 O\n0.323907 0.264921 0.914066 O\n0.676093 0.764921 0.585934 O\n0.823907 0.235079 0.085934 O\n0.414066 0.176093 0.735079 O\n0.914066 0.323907 0.264921 O\n0.585934 0.676093 0.764921 O\n0.085934 0.823907 0.235079 O\n0.290544 0.445657 0.942650 O\n0.709456 0.945657 0.557350 O\n0.209456 0.554343 0.442650 O\n0.790544 0.054343 0.057350 O\n0.942650 0.290544 0.445657 O\n0.557350 0.709456 0.945657 O\n0.442650 0.209456 0.554343 O\n0.057350 0.790544 0.054343 O\n0.445657 0.942650 0.290544 O\n0.945657 0.557350 0.709456 O\n0.554343 0.442650 0.209456 O\n0.054343 0.057350 0.790544 O\n0.709456 0.554343 0.057350 O\n0.290544 0.054343 0.442650 O\n0.790544 0.445657 0.557350 O\n0.209456 0.945657 0.942650 O\n0.057350 0.709456 0.554343 O\n0.442650 0.290544 0.054343 O\n0.557350 0.790544 0.445657 O\n0.942650 0.209456 0.945657 O\n0.554343 0.057350 0.709456 O\n0.054343 0.442650 0.290544 O\n0.445657 0.557350 0.790544 O\n0.945657 0.942650 0.209456 O\n0.319453 0.423610 0.759854 O\n0.680547 0.923610 0.740146 O\n0.180547 0.576390 0.259854 O\n0.819453 0.076390 0.240146 O\n0.759854 0.319453 0.423610 O\n0.740146 0.680547 0.923610 O\n0.259854 0.180547 0.576390 O\n0.240146 0.819453 0.076390 O\n0.423610 0.759854 0.319453 O\n0.923610 0.740146 0.680547 O\n0.576390 0.259854 0.180547 O\n0.076390 0.240146 0.819453 O\n0.680547 0.576390 0.240146 O\n0.319453 0.076390 0.259854 O\n0.819453 0.423610 0.740146 O\n0.180547 0.923610 0.759854 O\n0.240146 0.680547 0.576390 O\n0.259854 0.319453 0.076390 O\n0.740146 0.819453 0.423610 O\n0.759854 0.180547 0.923610 O\n0.576390 0.240146 0.680547 O\n0.076390 0.259854 0.319453 O\n0.423610 0.740146 0.819453 O\n0.923610 0.759854 0.180547 O\n0.581000 0.285145 0.907399 O\n0.419000 0.785145 0.592601 O\n0.919000 0.714855 0.407399 O\n0.081000 0.214855 0.092601 O\n0.907399 0.581000 0.285145 O\n0.592601 0.419000 0.785145 O\n0.407399 0.919000 0.714855 O\n0.092601 0.081000 0.214855 O\n0.285145 0.907399 0.581000 O\n0.785145 0.592601 0.419000 O\n0.714855 0.407399 0.919000 O\n0.214855 0.092601 0.081000 O\n0.419000 0.714855 0.092601 O\n0.581000 0.214855 0.407399 O\n0.081000 0.285145 0.592601 O\n0.919000 0.785145 0.907399 O\n0.092601 0.419000 0.714855 O\n0.407399 0.581000 0.214855 O\n0.592601 0.081000 0.285145 O\n0.907399 0.919000 0.785145 O\n0.714855 0.092601 0.419000 O\n0.214855 0.407399 0.581000 O\n0.285145 0.592601 0.081000 O\n0.785145 0.907399 0.919000 O\n0.421504 0.554745 0.432863 O\n0.578496 0.054745 0.067137 O\n0.078496 0.445255 0.932863 O\n0.921504 0.945255 0.567137 O\n0.432863 0.421504 0.554745 O\n0.067137 0.578496 0.054745 O\n0.932863 0.078496 0.445255 O\n0.567137 0.921504 0.945255 O\n0.554745 0.432863 0.421504 O\n0.054745 0.067137 0.578496 O\n0.445255 0.932863 0.078496 O\n0.945255 0.567137 0.921504 O\n0.578496 0.445255 0.567137 O\n0.421504 0.945255 0.932863 O\n0.921504 0.554745 0.067137 O\n0.078496 0.054745 0.432863 O\n0.567137 0.578496 0.445255 O\n0.932863 0.421504 0.945255 O\n0.067137 0.921504 0.554745 O\n0.432863 0.078496 0.054745 O\n0.445255 0.567137 0.578496 O\n0.945255 0.932863 0.421504 O\n0.554745 0.067137 0.921504 O\n0.054745 0.432863 0.078496 O\n",
"nsites": 208,
"nelements": 5,
"elements": [
"K",
"Co",
"Mo",
"As",
"O"
],
"chemical_system": "As-Co-K-Mo-O",
"density": 3.397223537420729,
"density_atomic": 0.05919422036337234,
"volume": 3513.8565678061427,
"volume_molar": 10.173528298932249,
"formula_full": "K8 Co8 Mo24 As24 O144",
"formula_reduced": "KCoMo3(AsO6)3",
"formula_anonymous": "ABC3D3E18",
"energy": -1463.70915039,
"energy_per_atom": -7.037063223028847,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1274.82915039,
"band_gap": 0.0138,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 39.9998279,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:17.407000Z",
"spacegroup": 205
},
{
"id": "mp-1076881",
"created_at": "2022-09-04T14:45:56.765978Z",
"structure_string": "Ba12 Sr20 Co12 Cu20 O80\n1.0\n-0.050081 0.006244 11.219248\n11.171221 -0.006113 -0.051664\n-5.568302 16.260163 -5.575940\nBa Sr Co Cu O\n12 20 12 20 80\ndirect\n0.310533 0.055832 0.118797 Ba\n0.306565 0.554538 0.118981 Ba\n0.806665 0.059639 0.120887 Ba\n0.807211 0.554940 0.118201 Ba\n0.185411 0.947570 0.383348 Ba\n0.184280 0.941278 0.875471 Ba\n0.682553 0.437291 0.873318 Ba\n0.058636 0.315477 0.118228 Ba\n0.059864 0.810107 0.117338 Ba\n0.557274 0.310662 0.118850 Ba\n0.555717 0.812406 0.119713 Ba\n0.929866 0.687850 0.872739 Ba\n0.300316 0.058933 0.610525 Sr\n0.308211 0.554444 0.610842 Sr\n0.808187 0.054743 0.609751 Sr\n0.796467 0.556122 0.611459 Sr\n0.192567 0.446794 0.393162 Sr\n0.189675 0.434518 0.882342 Sr\n0.694372 0.444327 0.393116 Sr\n0.701243 0.947187 0.391268 Sr\n0.692623 0.940605 0.883845 Sr\n0.053768 0.304871 0.608802 Sr\n0.051049 0.804312 0.609495 Sr\n0.560012 0.304791 0.610659 Sr\n0.552748 0.799295 0.609295 Sr\n0.445603 0.193499 0.390539 Sr\n0.435599 0.190407 0.883187 Sr\n0.440337 0.694255 0.391913 Sr\n0.443930 0.694377 0.883638 Sr\n0.949309 0.196099 0.393125 Sr\n0.945680 0.191765 0.884804 Sr\n0.945264 0.698969 0.394155 Sr\n0.992319 0.001720 0.994230 Co\n0.994359 0.486270 0.982749 Co\n0.487784 0.994034 0.983015 Co\n0.501055 0.000321 0.502083 Co\n0.487169 0.491997 0.984915 Co\n0.496833 0.495755 0.497552 Co\n0.239376 0.738231 0.981927 Co\n0.249941 0.753260 0.503395 Co\n0.738369 0.239854 0.983134 Co\n0.752790 0.249820 0.500795 Co\n0.743206 0.747921 0.994275 Co\n0.748673 0.749662 0.497521 Co\n0.002394 0.004014 0.504997 Cu\n0.001438 0.501858 0.503351 Cu\n0.244643 0.244567 0.989850 Cu\n0.253695 0.253620 0.503805 Cu\n0.121144 0.112093 0.252008 Cu\n0.112241 0.100678 0.743920 Cu\n0.122586 0.607224 0.260721 Cu\n0.117827 0.591838 0.743122 Cu\n0.626332 0.112941 0.260165 Cu\n0.612096 0.092271 0.744744 Cu\n0.622402 0.609563 0.261189 Cu\n0.609954 0.605038 0.746179 Cu\n0.372336 0.398740 0.260096 Cu\n0.361352 0.398269 0.747854 Cu\n0.377101 0.898941 0.260318 Cu\n0.366572 0.898939 0.744642 Cu\n0.872119 0.403899 0.262793 Cu\n0.867253 0.390843 0.742834 Cu\n0.868636 0.895523 0.253050 Cu\n0.857262 0.903277 0.746981 Cu\n0.124736 0.130612 0.500238 O\n0.110519 0.115254 0.994365 O\n0.128127 0.633516 0.498497 O\n0.106837 0.611081 0.989483 O\n0.630277 0.127187 0.495786 O\n0.611970 0.108251 0.989525 O\n0.612956 0.617069 0.496388 O\n0.606457 0.613080 0.992567 O\n0.122900 0.367605 0.994412 O\n0.130166 0.377760 0.506014 O\n0.133169 0.860380 0.995948 O\n0.125729 0.880350 0.510096 O\n0.628162 0.358214 0.994887 O\n0.625255 0.378489 0.507861 O\n0.631491 0.862703 0.996844 O\n0.625010 0.874879 0.506164 O\n0.384231 0.120147 0.499924 O\n0.368346 0.122406 0.990296 O\n0.372282 0.616854 0.495149 O\n0.357233 0.626358 0.990384 O\n0.873791 0.121349 0.494347 O\n0.860584 0.133148 0.994478 O\n0.863308 0.628638 0.499818 O\n0.855563 0.632234 0.991923 O\n0.379289 0.381601 0.997406 O\n0.385012 0.381054 0.506000 O\n0.383802 0.878067 0.994029 O\n0.373604 0.872084 0.507978 O\n0.877523 0.383615 0.993974 O\n0.870001 0.375625 0.508343 O\n0.878564 0.885605 0.998108 O\n0.874957 0.879117 0.507030 O\n0.067388 0.083581 0.138715 O\n0.066073 0.089294 0.634931 O\n0.075694 0.588389 0.150650 O\n0.080054 0.586630 0.634060 O\n0.575984 0.088093 0.149546 O\n0.579265 0.084410 0.636108 O\n0.576648 0.586948 0.150517 O\n0.568375 0.588672 0.636989 O\n0.443788 0.408474 0.368656 O\n0.427259 0.410640 0.860334 O\n0.442137 0.912753 0.370295 O\n0.437977 0.912177 0.856282 O\n0.940865 0.416924 0.373066 O\n0.936757 0.407709 0.855029 O\n0.927690 0.903887 0.361424 O\n0.923731 0.928720 0.861211 O\n0.324737 0.312882 0.149393 O\n0.328065 0.307060 0.638296 O\n0.328040 0.808458 0.150024 O\n0.329986 0.797159 0.636521 O\n0.827031 0.314490 0.152401 O\n0.821467 0.292152 0.634113 O\n0.820732 0.809508 0.140199 O\n0.822882 0.801309 0.639027 O\n0.189691 0.205817 0.361854 O\n0.182943 0.191375 0.855318 O\n0.191746 0.699892 0.370898 O\n0.188192 0.685738 0.856021 O\n0.694248 0.209074 0.369746 O\n0.688610 0.184733 0.857960 O\n0.691522 0.707011 0.371636 O\n0.674328 0.698348 0.858684 O\n0.480203 0.039976 0.263762 O\n0.451527 0.055406 0.746256 O\n0.472565 0.542827 0.264254 O\n0.454579 0.545147 0.749388 O\n0.981892 0.035396 0.263823 O\n0.955421 0.048066 0.748055 O\n0.971141 0.546238 0.264372 O\n0.958563 0.530188 0.735093 O\n0.223981 0.469487 0.264046 O\n0.200917 0.438779 0.745753 O\n0.233602 0.985131 0.252094 O\n0.208444 0.959117 0.735661 O\n0.722016 0.470345 0.264840 O\n0.716606 0.469901 0.738411 O\n0.726471 0.975639 0.261110 O\n0.695524 0.940833 0.744910 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Co",
"Cu",
"O"
],
"chemical_system": "Ba-Co-Cu-O-Sr",
"density": 5.425462528544143,
"density_atomic": 0.07066114174706081,
"volume": 2037.8951774578388,
"volume_molar": 8.52256361998353,
"formula_full": "Ba12 Sr20 Co12 Cu20 O80",
"formula_reduced": "Ba3Sr5Co3(CuO4)5",
"formula_anonymous": "A3B3C5D5E20",
"energy": -899.77042925,
"energy_per_atom": -6.248405758680556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -825.15442925,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 39.9844636,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.240000Z",
"spacegroup": 1
},
{
"id": "mp-1067900",
"created_at": "2022-09-04T14:45:55.710221Z",
"structure_string": "V2 Ni1 Sb1\n1.0\n0.000000 3.091508 3.091508\n3.091508 0.000000 3.091508\n3.091508 3.091508 0.000000\nV Ni Sb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 V\n0.500000 0.500000 0.500000 Ni\n0.750000 0.750000 0.750000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Ni",
"Sb"
],
"chemical_system": "Ni-Sb-V",
"density": 7.933683125898358,
"density_atomic": 0.0676891205610154,
"volume": 59.09369137680514,
"volume_molar": 8.89676318747797,
"formula_full": "V2 Ni1 Sb1",
"formula_reduced": "V2NiSb",
"formula_anonymous": "ABC2",
"energy": -27.94906049,
"energy_per_atom": -6.9872651225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.75706049,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.844381,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.206000Z",
"spacegroup": 216
},
{
"id": "mp-1096244",
"created_at": "2022-09-04T14:45:56.779418Z",
"structure_string": "Ti1 Tc2 Ge1\n1.0\n-4.564605 5.385271 7.566356\n4.564605 -5.385271 7.566356\n4.564605 5.385271 -7.566356\nTi Tc Ge\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.237441 0.237441 Tc\n0.000000 0.762559 0.762559 Tc\n0.000000 0.500000 0.500000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Tc",
"Ge"
],
"chemical_system": "Ge-Tc-Ti",
"density": 0.7064393623996198,
"density_atomic": 0.005376534838402119,
"volume": 743.9736038590947,
"volume_molar": 112.0078441040987,
"formula_full": "Ti1 Tc2 Ge1",
"formula_reduced": "TiTc2Ge",
"formula_anonymous": "ABC2",
"energy": -20.60112856,
"energy_per_atom": -5.15028214,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.60112856,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.2966111,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.195000Z",
"spacegroup": 71
},
{
"id": "mp-763336",
"created_at": "2022-09-04T14:45:56.784476Z",
"structure_string": "Li2 Cr3 Co1 O8\n1.0\n2.923020 5.078781 0.000000\n-2.923020 5.078781 0.000000\n0.000000 3.418707 4.902745\nLi Cr Co O\n2 3 1 8\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Co\n0.228853 0.228853 0.788349 O\n0.747843 0.236377 0.795434 O\n0.236377 0.747843 0.795434 O\n0.730382 0.730382 0.787135 O\n0.269618 0.269618 0.212865 O\n0.763623 0.252157 0.204566 O\n0.252157 0.763623 0.204566 O\n0.771147 0.771147 0.211651 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Co",
"O"
],
"chemical_system": "Co-Cr-Li-O",
"density": 4.070162798544956,
"density_atomic": 0.09617616627323501,
"volume": 145.56620982610406,
"volume_molar": 6.2615728962320985,
"formula_full": "Li2 Cr3 Co1 O8",
"formula_reduced": "Li2Cr3CoO8",
"formula_anonymous": "AB2C3D8",
"energy": -107.90894695,
"energy_per_atom": -7.707781925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.77794695,
"band_gap": 0.6141000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.9994531,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.391000Z",
"spacegroup": 12
},
{
"id": "mp-759767",
"created_at": "2022-09-04T14:45:56.797206Z",
"structure_string": "Li4 Cu4 P12 O36\n1.0\n5.157608 0.000000 0.000000\n0.000000 11.583750 0.000000\n0.000000 0.000000 13.082816\nLi Cu P O\n4 4 12 36\ndirect\n0.120567 0.060898 0.250000 Li\n0.120567 0.439102 0.750000 Li\n0.879433 0.560898 0.250000 Li\n0.879433 0.939102 0.750000 Li\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.235887 0.750000 0.000000 P\n0.235887 0.750000 0.500000 P\n0.473019 0.082281 0.638977 P\n0.473019 0.082281 0.861023 P\n0.473019 0.417719 0.138977 P\n0.473019 0.417719 0.361023 P\n0.526981 0.582281 0.638977 P\n0.526981 0.917719 0.138977 P\n0.526981 0.917719 0.361023 P\n0.526981 0.582281 0.861023 P\n0.764113 0.250000 0.000000 P\n0.764113 0.250000 0.500000 P\n0.086235 0.657169 0.055036 O\n0.086235 0.657169 0.444964 O\n0.086235 0.842831 0.555036 O\n0.086235 0.842831 0.944964 O\n0.186871 0.439285 0.121897 O\n0.186871 0.060715 0.621897 O\n0.186871 0.439285 0.378103 O\n0.186871 0.060715 0.878103 O\n0.338551 0.015570 0.128782 O\n0.338551 0.015570 0.371218 O\n0.338551 0.484430 0.628782 O\n0.338551 0.484430 0.871218 O\n0.499021 0.859040 0.250000 O\n0.499021 0.640960 0.750000 O\n0.442723 0.693269 0.575649 O\n0.442723 0.806731 0.075649 O\n0.442723 0.693269 0.924351 O\n0.442723 0.806731 0.424351 O\n0.557277 0.193269 0.575649 O\n0.557277 0.306731 0.075649 O\n0.557277 0.306731 0.424351 O\n0.557277 0.193269 0.924351 O\n0.500979 0.140960 0.750000 O\n0.500979 0.359040 0.250000 O\n0.661449 0.984430 0.628782 O\n0.661449 0.515570 0.128782 O\n0.661449 0.515570 0.371218 O\n0.661449 0.984430 0.871218 O\n0.813129 0.560715 0.621897 O\n0.813129 0.939285 0.121897 O\n0.813129 0.939285 0.378103 O\n0.813129 0.560715 0.878103 O\n0.913765 0.157169 0.444964 O\n0.913765 0.342831 0.555036 O\n0.913765 0.157169 0.055036 O\n0.913765 0.342831 0.944964 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-Li-O-P",
"density": 2.612271359977394,
"density_atomic": 0.07164556084861136,
"volume": 781.6255373913427,
"volume_molar": 8.405462513895195,
"formula_full": "Li4 Cu4 P12 O36",
"formula_reduced": "LiCu(PO3)3",
"formula_anonymous": "ABC3D9",
"energy": -399.03659972,
"energy_per_atom": -7.125653566428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -374.30459972,
"band_gap": 0.3073999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.0015794,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.804000Z",
"spacegroup": 57
},
{
"id": "mp-571123",
"created_at": "2022-09-04T14:45:56.800457Z",
"structure_string": "Cr44 Ge32\n1.0\n4.916876 0.000000 0.000000\n0.000000 13.182395 0.000000\n0.000000 0.000000 15.769323\nCr Ge\n44 32\ndirect\n0.496532 0.059894 0.377951 Cr\n0.750000 0.251246 0.968444 Cr\n0.750000 0.364275 0.158419 Cr\n0.003468 0.059894 0.377951 Cr\n0.250000 0.565034 0.309241 Cr\n0.250000 0.807412 0.751090 Cr\n0.250000 0.369173 0.041858 Cr\n0.750000 0.880524 0.008073 Cr\n0.250000 0.307412 0.748910 Cr\n0.996533 0.940106 0.622049 Cr\n0.250000 0.119476 0.991927 Cr\n0.250000 0.459842 0.592738 Cr\n0.750000 0.751246 0.531556 Cr\n0.750000 0.380524 0.491927 Cr\n0.250000 0.635725 0.841581 Cr\n0.250000 0.959842 0.907262 Cr\n0.990100 0.363134 0.325723 Cr\n0.250000 0.619476 0.508073 Cr\n0.490100 0.136866 0.825723 Cr\n0.250000 0.135725 0.658419 Cr\n0.750000 0.540158 0.407262 Cr\n0.750000 0.934966 0.809241 Cr\n0.990100 0.863134 0.174277 Cr\n0.509900 0.863134 0.174277 Cr\n0.503467 0.440106 0.877951 Cr\n0.009900 0.636866 0.674277 Cr\n0.250000 0.748754 0.031556 Cr\n0.509900 0.363134 0.325723 Cr\n0.750000 0.434966 0.690759 Cr\n0.250000 0.248754 0.468444 Cr\n0.750000 0.692588 0.251090 Cr\n0.750000 0.130827 0.541858 Cr\n0.750000 0.864275 0.341581 Cr\n0.503467 0.940106 0.622049 Cr\n0.250000 0.869173 0.458142 Cr\n0.009900 0.136866 0.825723 Cr\n0.996533 0.440106 0.877951 Cr\n0.250000 0.065034 0.190759 Cr\n0.750000 0.192588 0.248910 Cr\n0.003468 0.559894 0.122049 Cr\n0.496532 0.559894 0.122049 Cr\n0.750000 0.630827 0.958142 Cr\n0.750000 0.040158 0.092738 Cr\n0.490100 0.636866 0.674277 Cr\n0.250000 0.203499 0.300689 Ge\n0.250000 0.991451 0.755386 Ge\n0.750000 0.051428 0.939213 Ge\n0.250000 0.056529 0.517160 Ge\n0.501832 0.787766 0.888441 Ge\n0.250000 0.556529 0.982840 Ge\n0.750000 0.587851 0.804256 Ge\n0.250000 0.491451 0.744614 Ge\n0.750000 0.087851 0.695744 Ge\n0.498168 0.712234 0.388441 Ge\n0.001832 0.212234 0.111559 Ge\n0.250000 0.776032 0.594439 Ge\n0.250000 0.276032 0.905561 Ge\n0.501832 0.287766 0.611559 Ge\n0.750000 0.008549 0.244614 Ge\n0.750000 0.443471 0.017160 Ge\n0.750000 0.551428 0.560787 Ge\n0.750000 0.508549 0.255386 Ge\n0.250000 0.912149 0.304256 Ge\n0.498168 0.212234 0.111559 Ge\n0.750000 0.223968 0.405561 Ge\n0.250000 0.412149 0.195744 Ge\n0.750000 0.796501 0.699311 Ge\n0.998168 0.787766 0.888441 Ge\n0.250000 0.703499 0.199311 Ge\n0.750000 0.296501 0.800689 Ge\n0.750000 0.723968 0.094439 Ge\n0.001832 0.712234 0.388441 Ge\n0.998168 0.287766 0.611559 Ge\n0.750000 0.943471 0.482840 Ge\n0.250000 0.948572 0.060787 Ge\n0.250000 0.448572 0.439213 Ge\n",
"nsites": 76,
"nelements": 2,
"elements": [
"Cr",
"Ge"
],
"chemical_system": "Cr-Ge",
"density": 7.493260147748355,
"density_atomic": 0.07435616232045839,
"volume": 1022.1076186322936,
"volume_molar": 8.099047304305357,
"formula_full": "Cr44 Ge32",
"formula_reduced": "Cr11Ge8",
"formula_anonymous": "A8B11",
"energy": -566.04719073,
"energy_per_atom": -7.447989351710526,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -566.04719073,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5820796,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:11.292000Z",
"spacegroup": 62
},
{
"id": "mp-1213391",
"created_at": "2022-09-04T14:45:56.797311Z",
"structure_string": "Dy8 Cr8 O40\n1.0\n5.910956 0.000000 -5.755778\n-5.848855 0.000000 -5.910740\n0.000000 11.570899 0.000000\nDy Cr O\n8 8 40\ndirect\n0.865547 0.666905 0.561690 Dy\n0.134453 0.333095 0.438310 Dy\n0.634453 0.833095 0.061690 Dy\n0.365547 0.166905 0.938310 Dy\n0.068456 0.821919 0.078144 Dy\n0.931544 0.178081 0.921856 Dy\n0.431544 0.678081 0.578144 Dy\n0.568456 0.321919 0.421856 Dy\n0.139229 0.001750 0.671734 Cr\n0.860771 0.998250 0.328266 Cr\n0.360771 0.498250 0.171734 Cr\n0.639229 0.501750 0.828266 Cr\n0.361209 0.954739 0.310647 Cr\n0.638791 0.045261 0.689353 Cr\n0.138791 0.545261 0.810647 Cr\n0.861209 0.454739 0.189353 Cr\n0.310016 0.917532 0.630265 O\n0.689984 0.082468 0.369735 O\n0.189984 0.582468 0.130265 O\n0.810016 0.417532 0.869735 O\n0.161750 0.595890 0.516005 O\n0.838250 0.404110 0.483995 O\n0.338250 0.904110 0.016005 O\n0.661750 0.095890 0.983995 O\n0.657078 0.567447 0.689718 O\n0.342922 0.432553 0.310282 O\n0.842922 0.932553 0.189718 O\n0.157078 0.067447 0.810282 O\n0.425842 0.815100 0.401669 O\n0.574158 0.184900 0.598331 O\n0.074158 0.684900 0.901669 O\n0.925842 0.315100 0.098331 O\n0.903258 0.844796 0.414947 O\n0.096742 0.155204 0.585053 O\n0.596742 0.655204 0.914947 O\n0.403258 0.344796 0.085053 O\n0.997681 0.861876 0.665044 O\n0.002319 0.138124 0.334956 O\n0.502319 0.638124 0.165044 O\n0.497681 0.361876 0.834956 O\n0.186212 0.892917 0.258274 O\n0.813788 0.107083 0.741726 O\n0.313788 0.607083 0.758274 O\n0.686212 0.392917 0.241726 O\n0.483849 0.977513 0.195085 O\n0.516151 0.022487 0.804915 O\n0.016151 0.522487 0.695085 O\n0.983849 0.477513 0.304915 O\n0.644498 0.579756 0.459663 O\n0.355502 0.420244 0.540337 O\n0.855502 0.920244 0.959663 O\n0.144498 0.079756 0.040337 O\n0.842035 0.632588 0.119068 O\n0.157965 0.367412 0.880932 O\n0.657965 0.867412 0.619068 O\n0.342035 0.132588 0.380932 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Dy",
"Cr",
"O"
],
"chemical_system": "Cr-Dy-O",
"density": 4.9283897104224215,
"density_atomic": 0.07054705049656251,
"volume": 793.7964749175256,
"volume_molar": 8.536346619187766,
"formula_full": "Dy8 Cr8 O40",
"formula_reduced": "DyCrO5",
"formula_anonymous": "ABC5",
"energy": -442.33211663,
"energy_per_atom": -7.898787796964285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -398.86011663,
"band_gap": 0.5577,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.9987828,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.168000Z",
"spacegroup": 14
},
{
"id": "mp-1261423",
"created_at": "2022-09-04T14:45:55.717311Z",
"structure_string": "Mg8 Cr8 Si12 O48\n1.0\n-5.843840 5.843840 5.849263\n5.843840 -5.843840 5.849263\n5.843840 5.843840 -5.849263\nMg Cr Si O\n8 8 12 48\ndirect\n0.746814 0.375000 0.871814 Mg\n0.625000 0.996814 0.871814 Mg\n0.125000 0.753186 0.128186 Mg\n0.503186 0.875000 0.128186 Mg\n0.003186 0.875000 0.628186 Mg\n0.125000 0.253186 0.628186 Mg\n0.625000 0.496814 0.371814 Mg\n0.246814 0.375000 0.371814 Mg\n0.875000 0.625000 0.250000 Cr\n0.375000 0.125000 0.750000 Cr\n0.875000 0.125000 0.250000 Cr\n0.375000 0.625000 0.750000 Cr\n0.375000 0.125000 0.250000 Cr\n0.875000 0.125000 0.750000 Cr\n0.875000 0.625000 0.750000 Cr\n0.375000 0.625000 0.250000 Cr\n0.250081 0.875000 0.875081 Si\n0.125000 0.000081 0.375081 Si\n0.500000 0.500000 0.000000 Si\n0.625000 0.749919 0.624919 Si\n0.000000 0.000000 0.000000 Si\n0.750000 0.250000 0.500000 Si\n0.750081 0.875000 0.375081 Si\n0.250000 0.750000 0.500000 Si\n0.999919 0.375000 0.124919 Si\n0.625000 0.249919 0.124919 Si\n0.125000 0.500081 0.875081 Si\n0.499919 0.375000 0.624919 Si\n0.253332 0.016036 0.827952 O\n0.175379 0.503332 0.737296 O\n0.766036 0.438083 0.262704 O\n0.065482 0.720106 0.453435 O\n0.184518 0.137953 0.154624 O\n0.355555 0.416844 0.625745 O\n0.458901 0.333156 0.438711 O\n0.362047 0.315482 0.845376 O\n0.166844 0.041099 0.561289 O\n0.779894 0.434518 0.546565 O\n0.083156 0.144445 0.374255 O\n0.470106 0.516671 0.154624 O\n0.770190 0.708901 0.625745 O\n0.479810 0.605555 0.438711 O\n0.887953 0.233329 0.453435 O\n0.188083 0.425379 0.172048 O\n0.483964 0.246668 0.172048 O\n0.996668 0.324621 0.262704 O\n0.266671 0.612047 0.546565 O\n0.061917 0.733964 0.737296 O\n0.894445 0.020190 0.561289 O\n0.074621 0.311917 0.827952 O\n0.983329 0.029894 0.845376 O\n0.791099 0.729810 0.374255 O\n0.496668 0.233964 0.672048 O\n0.574621 0.746668 0.762704 O\n0.983964 0.811917 0.237296 O\n0.684518 0.529894 0.046565 O\n0.565482 0.112047 0.345376 O\n0.394445 0.833156 0.874255 O\n0.291099 0.916844 0.061289 O\n0.387953 0.934518 0.654624 O\n0.583156 0.208901 0.938711 O\n0.970106 0.815482 0.953435 O\n0.666844 0.105555 0.125745 O\n0.279894 0.733329 0.345376 O\n0.979810 0.541099 0.874255 O\n0.270190 0.644445 0.061289 O\n0.862047 0.016671 0.046565 O\n0.561917 0.824621 0.327952 O\n0.266036 0.003332 0.327952 O\n0.753332 0.925379 0.237296 O\n0.483329 0.637953 0.953435 O\n0.688083 0.516036 0.762704 O\n0.855555 0.229810 0.938711 O\n0.675379 0.938083 0.672048 O\n0.766671 0.220106 0.654624 O\n0.958901 0.520190 0.125745 O\n",
"nsites": 76,
"nelements": 4,
"elements": [
"Mg",
"Cr",
"Si",
"O"
],
"chemical_system": "Cr-Mg-O-Si",
"density": 3.5649894456389757,
"density_atomic": 0.09511649064593639,
"volume": 799.0202275534323,
"volume_molar": 6.3313319479131565,
"formula_full": "Mg8 Cr8 Si12 O48",
"formula_reduced": "Mg2Cr2(SiO4)3",
"formula_anonymous": "A2B2C3D12",
"energy": -601.54694519,
"energy_per_atom": -7.915091384078947,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -552.57894519,
"band_gap": 0.7938000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0005944,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.518000Z",
"spacegroup": 142
},
{
"id": "mp-631560",
"created_at": "2022-09-04T14:45:55.727308Z",
"structure_string": "Sr1 Mn1 Re2\n1.0\n0.000000 3.224089 3.224089\n3.224089 0.000000 3.224089\n3.224089 3.224089 0.000000\nSr Mn Re\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Re\n0.750000 0.750000 0.750000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"Re"
],
"chemical_system": "Mn-Re-Sr",
"density": 12.757973344201735,
"density_atomic": 0.05967726758267952,
"volume": 67.02719749120925,
"volume_molar": 10.091180451009524,
"formula_full": "Sr1 Mn1 Re2",
"formula_reduced": "SrMnRe2",
"formula_anonymous": "ABC2",
"energy": -31.7256209,
"energy_per_atom": -7.931405225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.7256209,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.5070017,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.333000Z",
"spacegroup": 216
}
]
}