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=4",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=2",
"results": [
{
"id": "mp-20713",
"created_at": "2022-09-04T14:45:27.023599Z",
"structure_string": "Pu4 Si4\n1.0\n3.885620 0.000000 0.000000\n0.000000 5.748465 0.000000\n0.000000 0.000000 7.870996\nPu Si\n4 4\ndirect\n0.250000 0.393804 0.676042 Pu\n0.750000 0.606196 0.323958 Pu\n0.750000 0.893804 0.823958 Pu\n0.250000 0.106196 0.176042 Pu\n0.250000 0.881636 0.532450 Si\n0.750000 0.118364 0.467550 Si\n0.750000 0.381636 0.967550 Si\n0.250000 0.618364 0.032450 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pu",
"Si"
],
"chemical_system": "Pu-Si",
"density": 10.279513890215322,
"density_atomic": 0.0455038431762404,
"volume": 175.809326017042,
"volume_molar": 13.234356352441964,
"formula_full": "Pu4 Si4",
"formula_reduced": "PuSi",
"formula_anonymous": "AB",
"energy": -82.26335968,
"energy_per_atom": -10.28291996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.54735968,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.5338498,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:04.790000Z",
"spacegroup": 62
},
{
"id": "mp-1338653",
"created_at": "2022-09-04T14:45:26.989428Z",
"structure_string": "Zr15 I54\n1.0\n7.951003 0.000000 0.000000\n-3.951136 9.699171 0.000000\n-0.009227 -5.037880 42.469258\nZr I\n15 54\ndirect\n0.401150 0.248830 0.050554 Zr\n0.271036 0.915438 0.115098 Zr\n0.065840 0.418386 0.215054 Zr\n0.941675 0.103664 0.276941 Zr\n0.832305 0.828158 0.332825 Zr\n0.725875 0.561170 0.386809 Zr\n0.611458 0.271978 0.444907 Zr\n0.388542 0.728022 0.555093 Zr\n0.500000 0.000000 0.500000 Zr\n0.167695 0.171842 0.667175 Zr\n0.274125 0.438830 0.613191 Zr\n0.598850 0.751170 0.949446 Zr\n0.934160 0.581614 0.784946 Zr\n0.058325 0.896336 0.723059 Zr\n0.728964 0.084562 0.884902 Zr\n0.199916 0.214915 0.993939 I\n0.250336 0.649005 0.970921 I\n0.989679 0.673714 0.102255 I\n0.602525 0.043233 0.948727 I\n0.749664 0.350995 0.029079 I\n0.053483 0.082137 0.083440 I\n0.800084 0.785085 0.006061 I\n0.768699 0.115273 0.216838 I\n0.373629 0.490884 0.063704 I\n0.539790 0.813060 0.137845 I\n0.794367 0.514222 0.196149 I\n0.559210 0.208118 0.115947 I\n0.397475 0.956767 0.051273 I\n0.539243 0.557555 0.325912 I\n0.158352 0.949234 0.172899 I\n0.287762 0.242403 0.250481 I\n0.585664 0.966545 0.306876 I\n0.178610 0.380614 0.160750 I\n0.344769 0.654003 0.231536 I\n0.321559 0.003325 0.436973 I\n0.934747 0.370921 0.284566 I\n0.082998 0.692007 0.361075 I\n0.369953 0.416581 0.416538 I\n0.952844 0.830062 0.271004 I\n0.123677 0.097040 0.340680 I\n0.098248 0.450494 0.548712 I\n0.711319 0.826445 0.395963 I\n0.861407 0.136691 0.471832 I\n0.138593 0.863309 0.528168 I\n0.901752 0.549506 0.451288 I\n0.736339 0.284544 0.381803 I\n0.876323 0.902960 0.659320 I\n0.489595 0.271576 0.507010 I\n0.630047 0.583419 0.583462 I\n0.917002 0.307993 0.638925 I\n0.678441 0.996675 0.563027 I\n0.510405 0.728424 0.492990 I\n0.655231 0.345997 0.768464 I\n0.263661 0.715456 0.618197 I\n0.414336 0.033455 0.693124 I\n0.712238 0.757597 0.749519 I\n0.460757 0.442445 0.674088 I\n0.288681 0.173555 0.604037 I\n0.047156 0.169938 0.728996 I\n0.440790 0.791882 0.884053 I\n0.205633 0.485778 0.803851 I\n0.460210 0.186940 0.862155 I\n0.231301 0.884727 0.783162 I\n0.065253 0.629079 0.715434 I\n0.821390 0.619386 0.839250 I\n0.946517 0.917863 0.916560 I\n0.010321 0.326286 0.897745 I\n0.841648 0.050766 0.827101 I\n0.626371 0.509116 0.936296 I\n",
"nsites": 69,
"nelements": 2,
"elements": [
"Zr",
"I"
],
"chemical_system": "I-Zr",
"density": 4.168244416960676,
"density_atomic": 0.021067736794315346,
"volume": 3275.15008724706,
"volume_molar": 28.584659181924753,
"formula_full": "Zr15 I54",
"formula_reduced": "Zr5I18",
"formula_anonymous": "A5B18",
"energy": -286.08790635,
"energy_per_atom": -4.1462015413043485,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -265.62190635,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9864444,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.974000Z",
"spacegroup": 2
},
{
"id": "mp-1213643",
"created_at": "2022-09-04T14:45:27.099580Z",
"structure_string": "Er4 V8 O8\n1.0\n-4.422695 4.422695 -4.607848\n4.422695 -4.422695 -4.607848\n-4.422695 -4.422695 4.607848\nEr V O\n4 8 8\ndirect\n0.875000 0.125000 0.250000 Er\n0.875000 0.625000 0.750000 Er\n0.375000 0.125000 0.250000 Er\n0.875000 0.125000 0.750000 Er\n0.510196 0.192819 0.682623 V\n0.510196 0.827573 0.317377 V\n0.577573 0.760196 0.817377 V\n0.239804 0.422427 0.182623 V\n0.239804 0.057181 0.817377 V\n0.942819 0.760196 0.182623 V\n0.172427 0.489804 0.682623 V\n0.807181 0.489804 0.317377 V\n0.662884 0.512938 0.850054 O\n0.662884 0.812830 0.149946 O\n0.562830 0.912884 0.649946 O\n0.087116 0.437170 0.350054 O\n0.087116 0.737062 0.649946 O\n0.262938 0.912884 0.350054 O\n0.187170 0.337116 0.850054 O\n0.487062 0.337116 0.149946 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Er",
"V",
"O"
],
"chemical_system": "Er-O-V",
"density": 5.548129276923884,
"density_atomic": 0.05547507257711174,
"volume": 360.52228633319044,
"volume_molar": 10.855579777077486,
"formula_full": "Er4 V8 O8",
"formula_reduced": "ErV2O2",
"formula_anonymous": "AB2C2",
"energy": -151.96747561,
"energy_per_atom": -7.5983737805,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.87147561,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.1586666,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.735000Z",
"spacegroup": 141
},
{
"id": "mp-15748",
"created_at": "2022-09-04T14:45:27.043930Z",
"structure_string": "Sr4 Cu2 Si4 O14\n1.0\n8.206475 0.000000 0.000000\n0.000000 8.206475 0.000000\n0.000000 0.000000 5.111436\nSr Cu Si O\n4 2 4 14\ndirect\n0.666534 0.166534 0.991154 Sr\n0.833466 0.666534 0.008846 Sr\n0.166534 0.333466 0.008846 Sr\n0.333466 0.833466 0.991154 Sr\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.863777 0.363777 0.536529 Si\n0.636223 0.863777 0.463471 Si\n0.363777 0.136223 0.463471 Si\n0.136223 0.636223 0.536529 Si\n0.693260 0.418522 0.679605 O\n0.306740 0.581478 0.679605 O\n0.418522 0.306740 0.320395 O\n0.581478 0.693260 0.320395 O\n0.918522 0.193260 0.679605 O\n0.806740 0.918522 0.320395 O\n0.193260 0.081478 0.320395 O\n0.081478 0.806740 0.679605 O\n0.864999 0.364999 0.220503 O\n0.635001 0.864999 0.779497 O\n0.000000 0.500000 0.652542 O\n0.500000 0.000000 0.347458 O\n0.135001 0.635001 0.220503 O\n0.364999 0.135001 0.779497 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"Si",
"O"
],
"chemical_system": "Cu-O-Si-Sr",
"density": 3.9261501546490205,
"density_atomic": 0.06971962021452012,
"volume": 344.2359543289889,
"volume_molar": 8.637655715092093,
"formula_full": "Sr4 Cu2 Si4 O14",
"formula_reduced": "Sr2CuSi2O7",
"formula_anonymous": "AB2C2D7",
"energy": -177.42505212,
"energy_per_atom": -7.392710505,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -167.80705212,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0007719,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:56.034000Z",
"spacegroup": 113
},
{
"id": "mp-850211",
"created_at": "2022-09-04T14:45:27.099092Z",
"structure_string": "Li32 Co4 O20 F4\n1.0\n-2.876678 1.515163 5.289430\n2.228048 -8.349088 5.183300\n8.022829 5.160735 -0.500074\nLi Co O F\n32 4 20 4\ndirect\n0.096769 0.262708 0.050152 Li\n0.596775 0.762651 0.050151 Li\n0.846862 0.512566 0.550166 Li\n0.346836 0.012612 0.550164 Li\n0.413447 0.251204 0.266158 Li\n0.913459 0.751133 0.266164 Li\n0.163458 0.501142 0.766261 Li\n0.663517 0.001202 0.766285 Li\n0.133062 0.504835 0.117552 Li\n0.633115 0.004875 0.117588 Li\n0.882927 0.754726 0.617543 Li\n0.382872 0.254766 0.617574 Li\n0.777206 0.257769 0.141982 Li\n0.277208 0.757730 0.141971 Li\n0.527320 0.507699 0.642048 Li\n0.027300 0.007732 0.642032 Li\n0.454311 0.505686 0.343010 Li\n0.954336 0.005722 0.343038 Li\n0.204293 0.755676 0.842971 Li\n0.704288 0.255737 0.842951 Li\n0.105759 0.236593 0.385608 Li\n0.605733 0.736538 0.385566 Li\n0.855894 0.486621 0.885594 Li\n0.355852 0.986642 0.885604 Li\n0.850841 0.511857 0.230524 Li\n0.350796 0.011883 0.230528 Li\n0.600662 0.761834 0.730398 Li\n0.100695 0.261884 0.730429 Li\n0.167259 0.481210 0.449698 Li\n0.667244 0.981205 0.449701 Li\n0.917245 0.731225 0.949669 Li\n0.417193 0.231267 0.949666 Li\n0.972019 0.987376 0.019283 Co\n0.221500 0.737365 0.519181 Co\n0.471990 0.487363 0.019214 Co\n0.721543 0.237520 0.519301 Co\n0.394881 0.368143 0.132066 O\n0.894931 0.868263 0.131980 O\n0.144802 0.618191 0.631953 O\n0.644866 0.118070 0.632021 O\n0.101312 0.140148 0.175556 O\n0.601455 0.640327 0.175723 O\n0.851267 0.390253 0.675620 O\n0.351249 0.890149 0.675602 O\n0.845299 0.393208 0.034617 O\n0.345134 0.893270 0.034579 O\n0.595339 0.643169 0.534593 O\n0.095402 0.143114 0.534550 O\n0.405125 0.345018 0.469124 O\n0.905280 0.844919 0.469155 O\n0.155135 0.595129 0.969177 O\n0.655354 0.094980 0.969202 O\n0.147717 0.611456 0.324216 O\n0.647648 0.111328 0.324053 O\n0.897814 0.861446 0.824103 O\n0.397752 0.361354 0.823990 O\n0.885217 0.392866 0.360607 F\n0.385137 0.892821 0.360587 F\n0.635138 0.642939 0.860583 F\n0.135153 0.142886 0.860614 F\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 2.6026427533397434,
"density_atomic": 0.11014052373778285,
"volume": 544.758622565161,
"volume_molar": 5.467688508851853,
"formula_full": "Li32 Co4 O20 F4",
"formula_reduced": "Li8CoO5F",
"formula_anonymous": "ABC5D8",
"energy": -319.98891498,
"energy_per_atom": -5.333148583,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -297.84891498,
"band_gap": 0.6687000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.861000Z",
"spacegroup": 1
},
{
"id": "mp-1217520",
"created_at": "2022-09-04T14:45:27.183487Z",
"structure_string": "Th2 P4 N4 O16\n1.0\n0.000000 5.159900 9.603786\n4.715988 0.000000 9.603786\n4.715988 5.159900 0.000000\nTh P N O\n2 4 4 16\ndirect\n0.358064 0.141936 0.358064 Th\n0.108064 0.891936 0.108064 Th\n0.308342 0.042662 0.931637 P\n0.532641 0.318363 0.207338 P\n0.207338 0.941658 0.532641 P\n0.931637 0.717359 0.308342 P\n0.893347 0.821157 0.655359 N\n0.619863 0.594641 0.428843 N\n0.428843 0.356653 0.619863 N\n0.655359 0.630137 0.893347 N\n0.356094 0.083347 0.707517 O\n0.396958 0.542483 0.166653 O\n0.756808 0.180627 0.179179 O\n0.366614 0.070821 0.069373 O\n0.179179 0.883386 0.756808 O\n0.069373 0.493192 0.366614 O\n0.707517 0.853042 0.356094 O\n0.166653 0.893906 0.396958 O\n0.104520 0.128063 0.008327 O\n0.455116 0.790268 0.961688 O\n0.490910 0.241673 0.121937 O\n0.457072 0.288312 0.459732 O\n0.459732 0.794884 0.457072 O\n0.121937 0.145480 0.490910 O\n0.961688 0.792928 0.455116 O\n0.008327 0.759090 0.104520 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Th",
"P",
"N",
"O"
],
"chemical_system": "N-O-P-Th",
"density": 3.1974189731843676,
"density_atomic": 0.055627161775550174,
"volume": 467.3975656875557,
"volume_molar": 10.8258997363531,
"formula_full": "Th2 P4 N4 O16",
"formula_reduced": "ThP2(NO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -201.75918516,
"energy_per_atom": -7.759968659999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -190.76718516,
"band_gap": 1.7289,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0015996,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.393000Z",
"spacegroup": 43
},
{
"id": "mp-672267",
"created_at": "2022-09-04T14:45:27.052528Z",
"structure_string": "Ce2 Sn4 Pt4\n1.0\n4.630607 0.000000 0.000000\n0.000000 4.630607 0.000000\n0.000000 0.000000 10.586392\nCe Sn Pt\n2 4 4\ndirect\n0.000000 0.500000 0.243724 Ce\n0.500000 0.000000 0.756276 Ce\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.500000 Sn\n0.000000 0.500000 0.874417 Sn\n0.500000 0.000000 0.125583 Sn\n0.500000 0.500000 0.000000 Pt\n0.000000 0.000000 0.000000 Pt\n0.000000 0.500000 0.630071 Pt\n0.500000 0.000000 0.369929 Pt\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ce",
"Sn",
"Pt"
],
"chemical_system": "Ce-Pt-Sn",
"density": 11.23179265031427,
"density_atomic": 0.04405307016161225,
"volume": 226.99893476922702,
"volume_molar": 13.670195375503434,
"formula_full": "Ce2 Sn4 Pt4",
"formula_reduced": "Ce(SnPt)2",
"formula_anonymous": "AB2C2",
"energy": -60.08293628,
"energy_per_atom": -6.008293628,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.08293628,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8530139,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:58.074000Z",
"spacegroup": 129
},
{
"id": "mp-770346",
"created_at": "2022-09-04T14:45:27.068537Z",
"structure_string": "Li8 V4 B4 O16\n1.0\n4.714190 0.000000 0.000000\n0.000000 5.889225 0.000000\n0.000000 0.000000 10.903937\nLi V B O\n8 4 4 16\ndirect\n0.194701 0.995691 0.581523 Li\n0.305299 0.995691 0.081523 Li\n0.305299 0.504309 0.081523 Li\n0.194701 0.504309 0.581523 Li\n0.694701 0.495691 0.918477 Li\n0.805299 0.495691 0.418477 Li\n0.805299 0.004309 0.418477 Li\n0.694701 0.004309 0.918477 Li\n0.195327 0.250000 0.820069 V\n0.304673 0.250000 0.320069 V\n0.695327 0.750000 0.679931 V\n0.804673 0.750000 0.179931 V\n0.673173 0.250000 0.661781 B\n0.826827 0.250000 0.161781 B\n0.326827 0.750000 0.338219 B\n0.173173 0.750000 0.838219 B\n0.774034 0.039921 0.596822 O\n0.725966 0.039921 0.096822 O\n0.357312 0.250000 0.661312 O\n0.729037 0.250000 0.294983 O\n0.142688 0.250000 0.161312 O\n0.770963 0.250000 0.794983 O\n0.725966 0.460079 0.096822 O\n0.774034 0.460079 0.596822 O\n0.274034 0.539921 0.903178 O\n0.225966 0.539921 0.403178 O\n0.642688 0.750000 0.338688 O\n0.857312 0.750000 0.838688 O\n0.270963 0.750000 0.705017 O\n0.229037 0.750000 0.205017 O\n0.225966 0.960079 0.403178 O\n0.274034 0.960079 0.903178 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"V",
"B",
"O"
],
"chemical_system": "B-Li-O-V",
"density": 3.0636968888270357,
"density_atomic": 0.1057064323568372,
"volume": 302.72519170807305,
"volume_molar": 5.697042862700002,
"formula_full": "Li8 V4 B4 O16",
"formula_reduced": "Li2VBO4",
"formula_anonymous": "ABC2D4",
"energy": -237.82446603,
"energy_per_atom": -7.4320145634375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -220.03246603,
"band_gap": 1.7394000000000005,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 8.0026458,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.551000Z",
"spacegroup": 62
},
{
"id": "mp-705295",
"created_at": "2022-09-04T14:45:27.029416Z",
"structure_string": "Li4 Ni4 P8 O28\n1.0\n13.328817 0.000000 0.000000\n0.000000 5.078549 0.000000\n0.000000 4.887848 8.300321\nLi Ni P O\n4 4 8 28\ndirect\n0.628598 0.013921 0.639810 Li\n0.371402 0.986079 0.360190 Li\n0.871402 0.013921 0.139810 Li\n0.128598 0.986079 0.860190 Li\n0.330899 0.962290 0.736494 Ni\n0.169101 0.962290 0.236494 Ni\n0.830899 0.037710 0.763506 Ni\n0.669101 0.037710 0.263506 Ni\n0.967727 0.527531 0.775314 P\n0.532273 0.527531 0.275314 P\n0.180488 0.267546 0.463603 P\n0.819512 0.732454 0.536397 P\n0.680488 0.732454 0.036397 P\n0.467727 0.472469 0.724686 P\n0.319512 0.267546 0.963603 P\n0.032273 0.472469 0.224686 P\n0.811025 0.966154 0.357013 O\n0.937363 0.682332 0.583416 O\n0.776454 0.422356 0.577118 O\n0.688975 0.966154 0.857013 O\n0.270694 0.151716 0.860691 O\n0.229306 0.151716 0.360691 O\n0.723546 0.422356 0.077118 O\n0.542280 0.783069 0.315007 O\n0.223546 0.577644 0.422882 O\n0.391290 0.736774 0.629579 O\n0.276454 0.577644 0.922882 O\n0.729306 0.848284 0.139309 O\n0.108710 0.736774 0.129579 O\n0.928746 0.605293 0.205066 O\n0.071254 0.394707 0.794934 O\n0.457720 0.216931 0.684993 O\n0.957720 0.783069 0.815007 O\n0.571254 0.605293 0.705066 O\n0.437363 0.317668 0.916584 O\n0.891290 0.263226 0.870421 O\n0.311025 0.033846 0.142987 O\n0.562637 0.682332 0.083416 O\n0.428746 0.394707 0.294934 O\n0.062637 0.317668 0.416584 O\n0.770694 0.848284 0.639309 O\n0.042280 0.216931 0.184993 O\n0.188975 0.033846 0.642987 O\n0.608710 0.263226 0.370421 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Li",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 2.832235636359518,
"density_atomic": 0.07831167909790046,
"volume": 561.8574458733531,
"volume_molar": 7.689965059325939,
"formula_full": "Li4 Ni4 P8 O28",
"formula_reduced": "LiNiP2O7",
"formula_anonymous": "ABC2D7",
"energy": -311.52471692999995,
"energy_per_atom": -7.080107202954545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -282.12471693,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.941634,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.002000Z",
"spacegroup": 14
},
{
"id": "mp-703272",
"created_at": "2022-09-04T14:45:26.988847Z",
"structure_string": "K5 N1 O4\n1.0\n4.502961 0.000000 0.000000\n0.200406 6.263706 0.000000\n2.048909 0.507773 10.619363\nK N O\n5 1 4\ndirect\n0.021720 0.435372 0.927379 K\n0.379730 0.884896 0.200591 K\n0.823245 0.297133 0.479789 K\n0.226622 0.682825 0.605208 K\n0.617004 0.097261 0.753490 K\n0.797945 0.818695 0.394967 N\n0.630473 0.658081 0.369254 O\n0.822952 0.990322 0.314251 O\n0.762262 0.861956 0.518552 O\n0.129456 0.304070 0.709151 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"N",
"O"
],
"chemical_system": "K-N-O",
"density": 1.516253239605534,
"density_atomic": 0.03338658377885891,
"volume": 299.521510383827,
"volume_molar": 18.03760696179208,
"formula_full": "K5 N1 O4",
"formula_reduced": "K5NO4",
"formula_anonymous": "AB4C5",
"energy": -44.56088,
"energy_per_atom": -4.456087999999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.81288000000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9702635,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.523000Z",
"spacegroup": 1
},
{
"id": "mp-1184293",
"created_at": "2022-09-04T14:45:27.141144Z",
"structure_string": "Eu1 Tl1 Au2\n1.0\n0.000000 3.710362 3.710362\n3.710362 0.000000 3.710362\n3.710362 3.710362 0.000000\nEu Tl Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Eu\n0.000000 0.000000 0.000000 Tl\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Eu",
"Tl",
"Au"
],
"chemical_system": "Au-Eu-Tl",
"density": 12.195338932590992,
"density_atomic": 0.03915445157499954,
"volume": 102.15952054233432,
"volume_molar": 15.38047531700122,
"formula_full": "Eu1 Tl1 Au2",
"formula_reduced": "EuTlAu2",
"formula_anonymous": "ABC2",
"energy": -21.22470064,
"energy_per_atom": -5.30617516,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.22470064,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.007738,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.826000Z",
"spacegroup": 225
},
{
"id": "mp-1184165",
"created_at": "2022-09-04T14:45:29.453602Z",
"structure_string": "Er3 Ga1\n1.0\n4.672864 0.000000 0.000000\n0.000000 4.672864 0.000000\n0.000000 0.000000 4.672864\nEr Ga\n3 1\ndirect\n0.000000 0.500000 0.500000 Er\n0.500000 0.000000 0.500000 Er\n0.500000 0.500000 0.000000 Er\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Er",
"Ga"
],
"chemical_system": "Er-Ga",
"density": 9.300705820879283,
"density_atomic": 0.03920221147159567,
"volume": 102.03506000926089,
"volume_molar": 15.3617373457704,
"formula_full": "Er3 Ga1",
"formula_reduced": "Er3Ga",
"formula_anonymous": "AB3",
"energy": -17.6870324,
"energy_per_atom": -4.4217581,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.6870324,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2502204,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.358000Z",
"spacegroup": 221
}
]
}