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=145",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=143",
"results": [
{
"id": "mp-757414",
"created_at": "2022-09-04T14:45:13.649169Z",
"structure_string": "Mg4 Co14 O24\n1.0\n5.808018 0.000000 0.000000\n-2.903430 5.045825 0.000000\n-0.038849 -0.035106 14.159625\nMg Co O\n4 14 24\ndirect\n0.333487 0.661239 0.041979 Mg\n0.165938 0.834879 0.209734 Mg\n0.832837 0.664692 0.541163 Mg\n0.498954 0.000694 0.874382 Mg\n0.671707 0.332594 0.085711 Co\n0.165052 0.329518 0.209951 Co\n0.661912 0.334494 0.333133 Co\n0.994396 0.994842 0.997918 Co\n0.335966 0.166627 0.542208 Co\n0.831245 0.167599 0.542327 Co\n0.669864 0.833989 0.209191 Co\n0.338467 0.672898 0.416535 Co\n0.667173 0.334386 0.706850 Co\n0.999457 0.005523 0.374302 Co\n0.328811 0.657079 0.666889 Co\n0.500773 0.500408 0.873428 Co\n0.999504 0.500616 0.874795 Co\n0.004247 0.010452 0.749362 Co\n0.850739 0.149717 0.287436 O\n0.294517 0.161385 0.292200 O\n0.491373 0.505815 0.136215 O\n0.017270 0.495068 0.131358 O\n0.152937 0.307371 0.463466 O\n0.503835 0.984254 0.129950 O\n0.342446 0.658868 0.282956 O\n0.990293 0.006025 0.133531 O\n0.516969 0.033020 0.620281 O\n0.838926 0.703880 0.292944 O\n0.658134 0.314174 0.470465 O\n0.505881 0.469667 0.622633 O\n0.964674 0.470171 0.623069 O\n0.363419 0.194261 0.790525 O\n0.831791 0.195466 0.790727 O\n0.166011 0.859039 0.457337 O\n0.695369 0.861738 0.458890 O\n0.819359 0.638700 0.794008 O\n0.675494 0.348419 0.949768 O\n0.009334 0.017222 0.615710 O\n0.174999 0.347989 0.947349 O\n0.324999 0.651363 0.803476 O\n0.161642 0.813320 0.953705 O\n0.649805 0.810542 0.952145 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Mg",
"Co",
"O"
],
"chemical_system": "Co-Mg-O",
"density": 5.227213881863075,
"density_atomic": 0.10121325707394158,
"volume": 414.96540289496664,
"volume_molar": 5.949952539913334,
"formula_full": "Mg4 Co14 O24",
"formula_reduced": "Mg2Co7O12",
"formula_anonymous": "A2B7C12",
"energy": -292.74836827,
"energy_per_atom": -6.97019924452381,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -253.32836827,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 21.9989962,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.610000Z",
"spacegroup": 1
},
{
"id": "mp-756577",
"created_at": "2022-09-04T14:45:09.231133Z",
"structure_string": "Li8 Mn2 Nb2 W4 O24\n1.0\n-5.435991 2.874344 -4.249936\n-4.824783 6.288618 4.392778\n5.447257 2.894060 -4.251207\nLi Mn Nb W O\n8 2 2 4 24\ndirect\n0.568294 0.272635 0.434926 Li\n0.068307 0.272621 0.934897 Li\n0.316176 0.799698 0.179652 Li\n0.816137 0.799697 0.679598 Li\n0.303011 0.801770 0.694719 Li\n0.802928 0.801790 0.194808 Li\n0.604643 0.256504 0.893686 Li\n0.104620 0.256523 0.393683 Li\n0.498509 0.998355 0.500869 Mn\n0.998740 0.998115 0.000851 Mn\n0.233459 0.518269 0.264969 Nb\n0.733438 0.518229 0.764860 Nb\n0.241331 0.496929 0.754185 W\n0.998810 0.012842 0.509244 W\n0.498802 0.012836 0.009273 W\n0.741311 0.496909 0.254163 W\n0.539611 0.426073 0.767338 O\n0.039551 0.426237 0.267537 O\n0.214483 0.724990 0.915843 O\n0.714498 0.724972 0.415805 O\n0.042013 0.044007 0.274221 O\n0.542022 0.044037 0.774266 O\n0.225305 0.427068 0.956837 O\n0.725325 0.427041 0.456863 O\n0.280982 0.934016 0.517464 O\n0.781017 0.933991 0.017505 O\n0.068585 0.749218 0.307814 O\n0.568571 0.749211 0.807824 O\n0.947602 0.245017 0.673759 O\n0.447597 0.244976 0.173755 O\n0.732592 0.047200 0.464445 O\n0.232619 0.047163 0.964457 O\n0.795023 0.557938 0.026014 O\n0.295134 0.558044 0.526173 O\n0.985459 0.934232 0.711298 O\n0.485469 0.934365 0.211413 O\n0.821402 0.266390 0.053234 O\n0.321342 0.266463 0.553234 O\n0.475801 0.558011 0.206039 O\n0.975885 0.558022 0.706082 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Nb",
"W",
"O"
],
"chemical_system": "Li-Mn-Nb-O-W",
"density": 5.68968547756548,
"density_atomic": 0.0931999503669309,
"volume": 429.18477791585553,
"volume_molar": 6.461527861646553,
"formula_full": "Li8 Mn2 Nb2 W4 O24",
"formula_reduced": "Li4MnNb(WO6)2",
"formula_anonymous": "ABC2D4E12",
"energy": -320.54495002,
"energy_per_atom": -8.013623750499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -282.96895002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9998388,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.327000Z",
"spacegroup": 1
},
{
"id": "mp-1100486",
"created_at": "2022-09-04T14:45:05.294858Z",
"structure_string": "Li9 Mn7 O16\n1.0\n5.761649 5.322038 0.000000\n-5.761649 5.322038 0.000000\n0.000000 2.066871 4.852510\nLi Mn O\n9 7 16\ndirect\n0.620342 0.379658 0.500000 Li\n0.258379 0.258379 0.491522 Li\n0.873847 0.126153 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.126153 0.873847 0.500000 Li\n0.741621 0.741621 0.508478 Li\n0.379658 0.620342 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.746622 0.253378 0.000000 Mn\n0.253378 0.746622 0.000000 Mn\n0.379035 0.130028 0.004866 Mn\n0.000000 0.000000 0.000000 Mn\n0.620965 0.869972 0.995134 Mn\n0.869972 0.620965 0.995134 Mn\n0.130028 0.379035 0.004866 Mn\n0.756695 0.492541 0.773381 O\n0.360820 0.360820 0.767655 O\n0.993554 0.241536 0.780726 O\n0.613775 0.112602 0.768306 O\n0.241536 0.993554 0.780726 O\n0.861416 0.861416 0.764287 O\n0.492541 0.756695 0.773381 O\n0.112602 0.613775 0.768306 O\n0.507459 0.243305 0.226619 O\n0.138584 0.138584 0.235713 O\n0.758464 0.006446 0.219274 O\n0.386225 0.887398 0.231694 O\n0.006446 0.758464 0.219274 O\n0.639180 0.639180 0.232345 O\n0.243305 0.507459 0.226619 O\n0.887398 0.386225 0.231694 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.9228265399789497,
"density_atomic": 0.10752978438169769,
"volume": 297.5919665793231,
"volume_molar": 5.600439724330936,
"formula_full": "Li9 Mn7 O16",
"formula_reduced": "Li9Mn7O16",
"formula_anonymous": "A7B9C16",
"energy": -228.38233346,
"energy_per_atom": -7.136947920625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -205.71433346,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 26.0017502,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.485000Z",
"spacegroup": 12
},
{
"id": "mp-1185984",
"created_at": "2022-09-04T14:45:13.682779Z",
"structure_string": "Mn1 Be1 Ru2\n1.0\n0.000000 2.894129 2.894129\n2.894129 0.000000 2.894129\n2.894129 2.894129 0.000000\nMn Be Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Be\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Ru"
],
"chemical_system": "Be-Mn-Ru",
"density": 9.113692490490633,
"density_atomic": 0.08250425377713144,
"volume": 48.48234868962261,
"volume_molar": 7.299188204607724,
"formula_full": "Mn1 Be1 Ru2",
"formula_reduced": "MnBeRu2",
"formula_anonymous": "ABC2",
"energy": -31.90697707,
"energy_per_atom": -7.9767442675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.90697707,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8533542,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.600000Z",
"spacegroup": 225
},
{
"id": "mp-1095938",
"created_at": "2022-09-04T14:45:09.320843Z",
"structure_string": "Be1 Nb1 Os2\n1.0\n-4.501326 5.325558 7.529105\n4.501326 -5.325558 7.529105\n4.501326 5.325558 -7.529105\nBe Nb Os\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Nb\n0.000000 0.251888 0.251888 Os\n0.000000 0.748112 0.748112 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Nb",
"Os"
],
"chemical_system": "Be-Nb-Os",
"density": 1.1095021928882245,
"density_atomic": 0.005540526804265874,
"volume": 721.9530093997992,
"volume_molar": 108.69256611777983,
"formula_full": "Be1 Nb1 Os2",
"formula_reduced": "BeNbOs2",
"formula_anonymous": "ABC2",
"energy": -21.03969677,
"energy_per_atom": -5.2599241925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.03969677,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3497339,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.184000Z",
"spacegroup": 71
},
{
"id": "mp-1172361",
"created_at": "2022-09-04T14:45:08.349319Z",
"structure_string": "Co12 Si12 O48\n1.0\n-5.686327 5.686327 5.686327\n5.686327 -5.686327 5.686327\n5.686327 5.686327 -5.686327\nCo Si O\n12 12 48\ndirect\n0.875000 0.750000 0.625000 Co\n0.875000 0.625000 0.250000 Co\n0.625000 0.875000 0.750000 Co\n0.250000 0.875000 0.625000 Co\n0.750000 0.625000 0.875000 Co\n0.625000 0.250000 0.875000 Co\n0.125000 0.250000 0.375000 Co\n0.125000 0.375000 0.750000 Co\n0.375000 0.125000 0.250000 Co\n0.750000 0.125000 0.375000 Co\n0.250000 0.375000 0.125000 Co\n0.375000 0.750000 0.125000 Co\n0.125000 0.750000 0.875000 Si\n0.750000 0.875000 0.125000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.875000 0.125000 0.750000 Si\n0.375000 0.250000 0.625000 Si\n0.375000 0.625000 0.750000 Si\n0.250000 0.125000 0.875000 Si\n0.625000 0.375000 0.250000 Si\n0.125000 0.875000 0.250000 Si\n0.750000 0.375000 0.625000 Si\n0.875000 0.250000 0.125000 Si\n0.596177 0.903293 0.368101 O\n0.368101 0.596177 0.903293 O\n0.271924 0.307116 0.903823 O\n0.464808 0.596707 0.192884 O\n0.307116 0.903293 0.035192 O\n0.131899 0.035192 0.228076 O\n0.368101 0.271924 0.464808 O\n0.903293 0.368101 0.596177 O\n0.192884 0.228076 0.596177 O\n0.464808 0.368101 0.271924 O\n0.903293 0.035192 0.307116 O\n0.596707 0.903823 0.131899 O\n0.903823 0.131899 0.596707 O\n0.271924 0.464808 0.368101 O\n0.596177 0.192884 0.228076 O\n0.228076 0.596177 0.192884 O\n0.035192 0.307116 0.903293 O\n0.903823 0.271924 0.307116 O\n0.035192 0.228076 0.131899 O\n0.807116 0.771924 0.403823 O\n0.307116 0.903823 0.271924 O\n0.596707 0.192884 0.464808 O\n0.228076 0.131899 0.035192 O\n0.131899 0.596707 0.903823 O\n0.403823 0.096707 0.631899 O\n0.631899 0.403823 0.096707 O\n0.728076 0.692884 0.096177 O\n0.535192 0.403293 0.807116 O\n0.692884 0.096707 0.964808 O\n0.868101 0.964808 0.771924 O\n0.631899 0.728076 0.535192 O\n0.096707 0.631899 0.403823 O\n0.868101 0.403293 0.096177 O\n0.771924 0.868101 0.964808 O\n0.403293 0.807116 0.535192 O\n0.692884 0.096177 0.728076 O\n0.807116 0.535192 0.403293 O\n0.964808 0.771924 0.868101 O\n0.096177 0.728076 0.692884 O\n0.964808 0.692884 0.096707 O\n0.771924 0.403823 0.807116 O\n0.403823 0.807116 0.771924 O\n0.728076 0.535192 0.631899 O\n0.096177 0.868101 0.403293 O\n0.403293 0.096177 0.868101 O\n0.096707 0.964808 0.692884 O\n0.535192 0.631899 0.728076 O\n0.192884 0.464808 0.596707 O\n",
"nsites": 72,
"nelements": 3,
"elements": [
"Co",
"Si",
"O"
],
"chemical_system": "Co-O-Si",
"density": 4.09165182777009,
"density_atomic": 0.09789871982857742,
"volume": 735.4539479788235,
"volume_molar": 6.151398885036379,
"formula_full": "Co12 Si12 O48",
"formula_reduced": "CoSiO4",
"formula_anonymous": "ABC4",
"energy": -507.0556864,
"energy_per_atom": -7.042440088888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -454.4236864,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 35.9995498,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.619000Z",
"spacegroup": 230
},
{
"id": "mp-555120",
"created_at": "2022-09-04T14:45:13.653242Z",
"structure_string": "K4 Ga4 Cu4 F24\n1.0\n10.115373 0.000000 0.000000\n0.000000 6.831865 0.000000\n0.000000 0.567819 7.413518\nK Ga Cu F\n4 4 4 24\ndirect\n0.115866 0.500225 0.241020 K\n0.884134 0.499775 0.758980 K\n0.615866 0.999775 0.758980 K\n0.384134 0.000225 0.241020 K\n0.000000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.732997 0.183986 0.257444 Cu\n0.232997 0.316014 0.742556 Cu\n0.267003 0.816014 0.742556 Cu\n0.767003 0.683986 0.257444 Cu\n0.942512 0.749140 0.448845 F\n0.979230 0.915272 0.754898 F\n0.819541 0.098230 0.489768 F\n0.160222 0.864370 0.028108 F\n0.839778 0.135630 0.971892 F\n0.331966 0.077132 0.754879 F\n0.479230 0.584728 0.245102 F\n0.520770 0.415272 0.754898 F\n0.557488 0.249140 0.448845 F\n0.057488 0.250860 0.551155 F\n0.339778 0.364370 0.028108 F\n0.319541 0.401770 0.510232 F\n0.168034 0.577132 0.754879 F\n0.660222 0.635630 0.971892 F\n0.407881 0.741071 0.923449 F\n0.020770 0.084728 0.245102 F\n0.180459 0.901770 0.510232 F\n0.680459 0.598230 0.489768 F\n0.831966 0.422868 0.245121 F\n0.092119 0.241071 0.923449 F\n0.668034 0.922868 0.245121 F\n0.592119 0.258929 0.076551 F\n0.907881 0.758929 0.076551 F\n0.442512 0.750860 0.551155 F\n",
"nsites": 36,
"nelements": 4,
"elements": [
"K",
"Ga",
"Cu",
"F"
],
"chemical_system": "Cu-F-Ga-K",
"density": 3.7125512646891514,
"density_atomic": 0.07026790033240468,
"volume": 512.3249709995714,
"volume_molar": 8.570258583950936,
"formula_full": "K4 Ga4 Cu4 F24",
"formula_reduced": "KGaCuF6",
"formula_anonymous": "ABCD6",
"energy": -173.72662956,
"energy_per_atom": -4.82573971,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -162.63862956,
"band_gap": 0.3179,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9986411,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:51.733000Z",
"spacegroup": 14
},
{
"id": "mp-734382",
"created_at": "2022-09-04T14:45:13.660101Z",
"structure_string": "Zn12 N24 Cl48\n1.0\n7.682980 0.000000 0.000000\n0.000000 12.568688 0.000000\n0.000000 0.000000 30.118173\nZn N Cl\n12 24 48\ndirect\n0.153924 0.027568 0.621225 Zn\n0.653924 0.972432 0.378775 Zn\n0.653924 0.527568 0.878775 Zn\n0.153924 0.472432 0.121225 Zn\n0.217342 0.033592 0.941058 Zn\n0.717342 0.966408 0.058942 Zn\n0.717342 0.533592 0.558942 Zn\n0.217342 0.466408 0.441058 Zn\n0.249684 0.151744 0.265329 Zn\n0.749684 0.848256 0.734671 Zn\n0.749684 0.651744 0.234671 Zn\n0.249684 0.348256 0.765329 Zn\n0.420967 0.869117 0.497618 N\n0.920967 0.130883 0.502382 N\n0.920967 0.369117 0.002382 N\n0.420967 0.630883 0.997618 N\n0.255848 0.907438 0.828564 N\n0.755848 0.092562 0.171436 N\n0.755848 0.407438 0.671436 N\n0.255848 0.592562 0.328564 N\n0.247775 0.897779 0.161498 N\n0.747775 0.102221 0.838502 N\n0.747775 0.397779 0.338502 N\n0.247775 0.602221 0.661498 N\n0.390010 0.338455 0.525805 N\n0.890010 0.661545 0.474195 N\n0.890010 0.838455 0.974195 N\n0.390010 0.161545 0.025805 N\n0.298450 0.394527 0.881502 N\n0.798450 0.605473 0.118498 N\n0.798450 0.894527 0.618498 N\n0.298450 0.105473 0.381502 N\n0.381789 0.383868 0.204412 N\n0.881789 0.616132 0.795588 N\n0.881789 0.883868 0.295588 N\n0.381789 0.116132 0.704412 N\n0.102106 0.067109 0.499365 Cl\n0.602106 0.932891 0.500635 Cl\n0.602106 0.567109 0.000635 Cl\n0.102106 0.432891 0.999365 Cl\n0.958855 0.143277 0.622958 Cl\n0.458855 0.856723 0.377042 Cl\n0.458855 0.643277 0.877042 Cl\n0.958855 0.356723 0.122958 Cl\n0.355132 0.919265 0.609868 Cl\n0.855132 0.080735 0.390132 Cl\n0.855132 0.419265 0.890132 Cl\n0.355132 0.580735 0.109868 Cl\n0.467941 0.257256 0.565821 Cl\n0.967941 0.742744 0.434179 Cl\n0.967941 0.757256 0.934179 Cl\n0.467941 0.242744 0.065821 Cl\n0.241763 0.033699 0.818788 Cl\n0.741763 0.966301 0.181212 Cl\n0.741763 0.533699 0.681212 Cl\n0.241763 0.466301 0.318788 Cl\n0.971540 0.105092 0.940918 Cl\n0.471540 0.894908 0.059082 Cl\n0.471540 0.605092 0.559082 Cl\n0.971540 0.394908 0.440918 Cl\n0.417513 0.922732 0.931907 Cl\n0.917513 0.077268 0.068093 Cl\n0.917513 0.422732 0.568093 Cl\n0.417513 0.577268 0.431907 Cl\n0.425405 0.214738 0.973595 Cl\n0.925405 0.785262 0.026405 Cl\n0.925405 0.714738 0.526405 Cl\n0.425405 0.285262 0.473595 Cl\n0.238465 0.025910 0.159190 Cl\n0.738465 0.974090 0.840810 Cl\n0.738465 0.525910 0.340810 Cl\n0.238465 0.474090 0.659190 Cl\n0.999967 0.212143 0.256562 Cl\n0.499967 0.787857 0.743438 Cl\n0.499967 0.712143 0.243438 Cl\n0.999967 0.287857 0.756562 Cl\n0.088910 0.885487 0.291168 Cl\n0.588910 0.114513 0.708832 Cl\n0.588910 0.385487 0.208832 Cl\n0.088910 0.614513 0.791168 Cl\n0.500414 0.096349 0.278001 Cl\n0.000414 0.903651 0.721999 Cl\n0.000414 0.596349 0.221999 Cl\n0.500414 0.403651 0.778001 Cl\n",
"nsites": 84,
"nelements": 3,
"elements": [
"Zn",
"N",
"Cl"
],
"chemical_system": "Cl-N-Zn",
"density": 1.6116951673751954,
"density_atomic": 0.028882249426314885,
"volume": 2908.360729115054,
"volume_molar": 20.850663918556055,
"formula_full": "Zn12 N24 Cl48",
"formula_reduced": "Zn(NCl2)2",
"formula_anonymous": "AB2C4",
"energy": -285.46573667,
"energy_per_atom": -3.3984016270238095,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -255.99373667,
"band_gap": 1.4130000000000005,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 48.0824355,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:59.108000Z",
"spacegroup": 33
},
{
"id": "mp-780182",
"created_at": "2022-09-04T14:45:11.790901Z",
"structure_string": "Li9 Mn12 B12 O36\n1.0\n9.098779 0.000000 0.000000\n4.522078 7.925090 0.000000\n4.268914 2.795872 10.425220\nLi Mn B O\n9 12 12 36\ndirect\n0.227351 0.030091 0.661526 Li\n0.388920 0.253224 0.156366 Li\n0.036509 0.903327 0.171101 Li\n0.260831 0.415719 0.914193 Li\n0.432578 0.576230 0.408662 Li\n0.552339 0.388327 0.677501 Li\n0.724032 0.565758 0.160390 Li\n0.744853 0.922650 0.407324 Li\n0.869013 0.711374 0.671838 Li\n0.074550 0.233851 0.132167 Mn\n0.260878 0.070684 0.885611 Mn\n0.099630 0.588616 0.383723 Mn\n0.557540 0.094747 0.628979 Mn\n0.394721 0.587025 0.126953 Mn\n0.790573 0.262469 0.383653 Mn\n0.221922 0.720645 0.630265 Mn\n0.621474 0.445702 0.881422 Mn\n0.398440 0.948269 0.382806 Mn\n0.908866 0.382903 0.627983 Mn\n0.708230 0.912362 0.130557 Mn\n0.915556 0.763399 0.882080 Mn\n0.065609 0.579581 0.126068 B\n0.446795 0.272228 0.373027 B\n0.244220 0.390205 0.621279 B\n0.739183 0.238549 0.126863 B\n0.586654 0.107358 0.876681 B\n0.096826 0.924971 0.374724 B\n0.905409 0.058318 0.630935 B\n0.396849 0.906308 0.127354 B\n0.263669 0.741695 0.867949 B\n0.751262 0.620374 0.371067 B\n0.565653 0.739730 0.629967 B\n0.944116 0.414987 0.872845 B\n0.051493 0.103637 0.337623 O\n0.010909 0.130009 0.619158 O\n0.167475 0.414717 0.106711 O\n0.391033 0.187819 0.337424 O\n0.122962 0.655734 0.173692 O\n0.299343 0.207911 0.653601 O\n0.590479 0.349632 0.073016 O\n0.080443 0.497537 0.594387 O\n0.809050 0.063406 0.140697 O\n0.587571 0.176682 0.437439 O\n0.098836 0.319104 0.915372 O\n0.375849 0.454341 0.340467 O\n0.527056 0.043914 0.816856 O\n0.997950 0.856993 0.364857 O\n0.353439 0.460240 0.612264 O\n0.803030 0.315814 0.168718 O\n0.236936 0.986215 0.091940 O\n0.741377 0.173068 0.598756 O\n0.502125 0.736349 0.130793 O\n0.519790 0.281686 0.866128 O\n0.250134 0.813185 0.419865 O\n0.715877 0.981493 0.944549 O\n0.192006 0.662532 0.835191 O\n0.678587 0.530268 0.355495 O\n0.444501 0.008725 0.159536 O\n0.629531 0.556038 0.690080 O\n0.901465 0.674879 0.094389 O\n0.412594 0.818985 0.586738 O\n0.199507 0.917057 0.843882 O\n0.881307 0.539136 0.436290 O\n0.404048 0.634589 0.927779 O\n0.685916 0.805783 0.321025 O\n0.875015 0.327806 0.843351 O\n0.655617 0.834181 0.610748 O\n0.854838 0.590768 0.857489 O\n0.949165 0.879533 0.670813 O\n",
"nsites": 69,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.1530668362042626,
"density_atomic": 0.09178602088939682,
"volume": 751.7484616001142,
"volume_molar": 6.5610652925642645,
"formula_full": "Li9 Mn12 B12 O36",
"formula_reduced": "Li3Mn4(BO3)4",
"formula_anonymous": "A3B4C4D12",
"energy": -556.02300552,
"energy_per_atom": -8.058304427826087,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -511.27500552,
"band_gap": 0.3194000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 56.933312,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.072000Z",
"spacegroup": 1
},
{
"id": "mp-1046038",
"created_at": "2022-09-04T14:45:13.670755Z",
"structure_string": "Sr2 Y1 Tl1 V2 O7\n1.0\n3.788540 0.000000 0.000000\n0.000000 4.022513 0.000000\n0.000000 0.000000 13.041178\nSr Y Tl V O\n2 1 1 2 7\ndirect\n0.000000 0.000000 0.317183 Sr\n0.000000 0.000000 0.682817 Sr\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Tl\n0.500000 0.500000 0.148032 V\n0.500000 0.500000 0.851968 V\n0.500000 0.000000 0.112529 O\n0.000000 0.500000 0.102931 O\n0.500000 0.000000 0.887471 O\n0.000000 0.500000 0.897069 O\n0.500000 0.500000 0.293302 O\n0.500000 0.500000 0.706698 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"Sr",
"Y",
"Tl",
"V",
"O"
],
"chemical_system": "O-Sr-Tl-V-Y",
"density": 5.701734875148194,
"density_atomic": 0.06541196509810927,
"volume": 198.7403983430512,
"volume_molar": 9.206481950156348,
"formula_full": "Sr2 Y1 Tl1 V2 O7",
"formula_reduced": "Sr2YTlV2O7",
"formula_anonymous": "ABC2D2E7",
"energy": -99.62627537,
"energy_per_atom": -7.663559643846154,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.41727537,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0213305,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.962000Z",
"spacegroup": 47
},
{
"id": "mp-4638",
"created_at": "2022-09-04T14:45:13.671953Z",
"structure_string": "Tl1 Cr1 Te2\n1.0\n2.060692 -3.569224 0.000000\n2.060692 3.569224 0.000000\n0.000000 0.000000 7.960053\nTl Cr Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.500000 Cr\n0.666667 0.333333 0.679862 Te\n0.333333 0.666667 0.320138 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Cr",
"Te"
],
"chemical_system": "Cr-Te-Tl",
"density": 7.254864424673243,
"density_atomic": 0.03416073029930209,
"volume": 117.09351541824972,
"volume_molar": 17.628840798298253,
"formula_full": "Tl1 Cr1 Te2",
"formula_reduced": "TlCrTe2",
"formula_anonymous": "ABC2",
"energy": -20.17537661,
"energy_per_atom": -5.0438441525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.33137661,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0157472,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:57.795000Z",
"spacegroup": 164
},
{
"id": "mp-1225161",
"created_at": "2022-09-04T14:45:13.677831Z",
"structure_string": "Eu1 Te2 Pb1\n1.0\n4.666461 0.000000 0.000000\n0.000000 4.666461 0.000000\n0.000000 0.000000 6.556603\nEu Te Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Eu\n0.000000 0.000000 0.500000 Te\n0.500000 0.500000 0.000000 Te\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Eu",
"Te",
"Pb"
],
"chemical_system": "Eu-Pb-Te",
"density": 7.145303618870647,
"density_atomic": 0.028015980220616236,
"volume": 142.77565762473316,
"volume_molar": 21.495377682942756,
"formula_full": "Eu1 Te2 Pb1",
"formula_reduced": "EuTe2Pb",
"formula_anonymous": "ABC2",
"energy": -25.308595500000003,
"energy_per_atom": -6.327148875000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.4645955,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9998198,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.418000Z",
"spacegroup": 123
}
]
}