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=-decomposes_to&page=10217",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=10215",
"results": [
{
"id": "mp-1179832",
"created_at": "2022-09-04T14:42:54.098237Z",
"structure_string": "Rb8\n1.0\n-13.000871 13.000871 6.192701\n13.000871 -13.000871 6.192701\n13.000871 13.000871 -6.192701\nRb\n8\ndirect\n0.210183 0.086187 0.296370 Rb\n0.086187 0.789817 0.876005 Rb\n0.210183 0.913813 0.123995 Rb\n0.789817 0.913813 0.703630 Rb\n0.789817 0.086187 0.876005 Rb\n0.086187 0.210183 0.296370 Rb\n0.913813 0.210183 0.123995 Rb\n0.913813 0.789817 0.703630 Rb\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 0.27117934564032864,
"density_atomic": 0.0019107549173081662,
"volume": 4186.826854419531,
"volume_molar": 315.17075818828056,
"formula_full": "Rb8",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -4.22407837,
"energy_per_atom": -0.52800979625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.22407837,
"band_gap": 0.1102999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.8808979,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.898000Z",
"spacegroup": 139
},
{
"id": "mp-776158",
"created_at": "2022-09-04T14:42:46.240733Z",
"structure_string": "Mn4 Cr2 P6 O24\n1.0\n7.253579 -4.325088 0.000000\n7.253579 4.325088 0.000000\n4.674661 0.000000 7.033374\nMn Cr P O\n4 2 6 24\ndirect\n0.855179 0.855179 0.855179 Mn\n0.644821 0.644821 0.644821 Mn\n0.355179 0.355179 0.355179 Mn\n0.144821 0.144821 0.144821 Mn\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.951938 0.250000 0.548062 P\n0.548062 0.951938 0.250000 P\n0.250000 0.548062 0.951938 P\n0.750000 0.451938 0.048062 P\n0.451938 0.048062 0.750000 P\n0.048062 0.750000 0.451938 P\n0.893536 0.681629 0.487582 O\n0.681629 0.487582 0.893536 O\n0.937100 0.094524 0.751272 O\n0.487582 0.893536 0.681629 O\n0.987582 0.181629 0.393536 O\n0.748728 0.405476 0.562900 O\n0.751272 0.937100 0.094524 O\n0.562900 0.748728 0.405476 O\n0.818371 0.606464 0.012418 O\n0.405476 0.562900 0.748728 O\n0.905476 0.248728 0.062900 O\n0.606464 0.012418 0.818371 O\n0.393536 0.987582 0.181629 O\n0.094524 0.751272 0.937100 O\n0.594524 0.437100 0.251272 O\n0.181629 0.393536 0.987582 O\n0.437100 0.251272 0.594524 O\n0.248728 0.062900 0.905476 O\n0.251272 0.594524 0.437100 O\n0.012418 0.818371 0.606464 O\n0.512418 0.106464 0.318371 O\n0.062900 0.905476 0.248728 O\n0.318371 0.512418 0.106464 O\n0.106464 0.318371 0.512418 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Mn",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Mn-O-P",
"density": 3.3623112720126422,
"density_atomic": 0.08157582973472062,
"volume": 441.30718764454735,
"volume_molar": 7.382261117764436,
"formula_full": "Mn4 Cr2 P6 O24",
"formula_reduced": "Mn2Cr(PO4)3",
"formula_anonymous": "AB2C3D12",
"energy": -293.78144034,
"energy_per_atom": -8.160595565000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -266.62344034,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 22.0215608,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.635000Z",
"spacegroup": 167
},
{
"id": "mp-674504",
"created_at": "2022-09-04T14:42:46.254026Z",
"structure_string": "La13 Mn14 O42\n1.0\n6.072180 -6.906925 0.000000\n6.072180 6.906925 0.000000\n-1.784242 0.000000 9.021833\nLa Mn O\n13 14 42\ndirect\n0.392465 0.820193 0.538001 La\n0.963468 0.107982 0.678153 La\n0.538001 0.392465 0.820193 La\n0.107982 0.678153 0.963468 La\n0.678153 0.963468 0.107982 La\n0.180021 0.456685 0.597767 La\n0.750151 0.750151 0.750151 La\n0.820193 0.538001 0.392465 La\n0.320246 0.042616 0.902018 La\n0.902018 0.320246 0.042616 La\n0.456685 0.597767 0.180021 La\n0.042616 0.902018 0.320246 La\n0.597767 0.180021 0.456685 La\n0.001872 0.001872 0.001872 Mn\n0.565394 0.284844 0.145148 Mn\n0.145148 0.565394 0.284844 Mn\n0.713752 0.858874 0.427810 Mn\n0.284844 0.145148 0.565394 Mn\n0.786263 0.641734 0.072077 Mn\n0.858874 0.427810 0.713752 Mn\n0.354425 0.934726 0.215378 Mn\n0.427810 0.713752 0.858874 Mn\n0.934726 0.215378 0.354425 Mn\n0.498169 0.498169 0.498169 Mn\n0.072077 0.786263 0.641734 Mn\n0.641734 0.072077 0.786263 Mn\n0.215378 0.354425 0.934726 Mn\n0.673437 0.977349 0.599040 O\n0.113045 0.168611 0.953626 O\n0.246437 0.260761 0.742133 O\n0.405226 0.325898 0.016839 O\n0.691305 0.454788 0.102618 O\n0.820039 0.547691 0.885045 O\n0.974352 0.612494 0.167150 O\n0.168611 0.953626 0.113045 O\n0.260761 0.742133 0.246437 O\n0.391026 0.833927 0.030580 O\n0.448047 0.117432 0.183686 O\n0.540925 0.894108 0.308428 O\n0.742133 0.246437 0.260761 O\n0.833927 0.030580 0.391026 O\n0.894108 0.308428 0.540925 O\n0.953626 0.113045 0.168611 O\n0.016839 0.405226 0.325898 O\n0.117432 0.183686 0.448047 O\n0.317393 0.540678 0.407607 O\n0.407607 0.317393 0.540678 O\n0.468216 0.597189 0.686221 O\n0.540678 0.407607 0.317393 O\n0.597189 0.686221 0.468216 O\n0.686221 0.468216 0.597189 O\n0.885045 0.820039 0.547691 O\n0.977349 0.599040 0.673437 O\n0.037065 0.881029 0.827650 O\n0.102618 0.691305 0.454788 O\n0.167150 0.974352 0.612494 O\n0.256721 0.753635 0.740364 O\n0.454788 0.102618 0.691305 O\n0.547691 0.885045 0.820039 O\n0.612494 0.167150 0.974352 O\n0.740364 0.256721 0.753635 O\n0.827650 0.037065 0.881029 O\n0.030580 0.391026 0.833927 O\n0.183686 0.448047 0.117432 O\n0.308428 0.540925 0.894108 O\n0.599040 0.673437 0.977349 O\n0.753635 0.740364 0.256721 O\n0.881029 0.827650 0.037065 O\n0.325898 0.016839 0.405226 O\n",
"nsites": 69,
"nelements": 3,
"elements": [
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O",
"density": 7.124608153525494,
"density_atomic": 0.09117902294826515,
"volume": 756.7530092875694,
"volume_molar": 6.604743684758449,
"formula_full": "La13 Mn14 O42",
"formula_reduced": "La13Mn14O42",
"formula_anonymous": "A13B14C42",
"energy": -592.0793975,
"energy_per_atom": -8.580860833333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -539.8733975,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 53.0016307,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.445000Z",
"spacegroup": 146
},
{
"id": "mp-1225572",
"created_at": "2022-09-04T14:42:46.255519Z",
"structure_string": "Er2 Fe1 Si4\n1.0\n0.000000 0.000000 3.961152\n3.992333 0.000000 0.000000\n1.996166 7.994715 0.000000\nEr Fe Si\n2 1 4\ndirect\n0.250000 0.893830 0.212340 Er\n0.750000 0.109964 0.780073 Er\n0.250000 0.250539 0.498922 Fe\n0.250000 0.691807 0.616386 Si\n0.750000 0.307678 0.384643 Si\n0.250000 0.538597 0.922806 Si\n0.750000 0.457585 0.084829 Si\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Er",
"Fe",
"Si"
],
"chemical_system": "Er-Fe-Si",
"density": 6.602540130720811,
"density_atomic": 0.05536646390655188,
"volume": 126.43032453390335,
"volume_molar": 10.876874438223533,
"formula_full": "Er2 Fe1 Si4",
"formula_reduced": "Er2FeSi4",
"formula_anonymous": "AB2C4",
"energy": -42.65129317,
"energy_per_atom": -6.093041881428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.93529317,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041687,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.097000Z",
"spacegroup": 38
},
{
"id": "mp-1021357",
"created_at": "2022-09-04T14:42:46.258290Z",
"structure_string": "Ba2 Li2 Mg12\n1.0\n5.174254 0.000000 0.000000\n0.000000 6.568206 0.000000\n0.000000 0.000000 13.117090\nBa Li Mg\n2 2 12\ndirect\n0.500000 0.500000 0.200571 Ba\n0.500000 0.000000 0.700571 Ba\n0.000000 0.500000 0.368772 Li\n0.000000 0.000000 0.868772 Li\n0.000000 0.749491 0.060577 Mg\n0.000000 0.250509 0.060577 Mg\n0.000000 0.000000 0.306144 Mg\n0.500000 0.238419 0.434231 Mg\n0.500000 0.761581 0.434231 Mg\n0.500000 0.000000 0.134898 Mg\n0.000000 0.249491 0.560577 Mg\n0.000000 0.750509 0.560577 Mg\n0.000000 0.500000 0.806144 Mg\n0.500000 0.738419 0.934231 Mg\n0.500000 0.261581 0.934231 Mg\n0.500000 0.500000 0.634898 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Mg"
],
"chemical_system": "Ba-Li-Mg",
"density": 2.1611843808817146,
"density_atomic": 0.0358911996759187,
"volume": 445.7917301308611,
"volume_molar": 16.77887842807487,
"formula_full": "Ba2 Li2 Mg12",
"formula_reduced": "BaLiMg6",
"formula_anonymous": "ABC6",
"energy": -25.67170073,
"energy_per_atom": -1.604481295625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.67170073,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012953,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.231000Z",
"spacegroup": 38
},
{
"id": "mp-1214604",
"created_at": "2022-09-04T14:42:46.261539Z",
"structure_string": "Ca6 B12 O40\n1.0\n4.854742 6.727361 0.000000\n-4.854742 6.727361 0.000000\n0.000000 6.369417 11.893833\nCa B O\n6 12 40\ndirect\n0.009987 0.990013 0.250000 Ca\n0.990013 0.009987 0.750000 Ca\n0.700812 0.366306 0.063910 Ca\n0.299188 0.633694 0.936090 Ca\n0.633694 0.299188 0.436090 Ca\n0.366306 0.700812 0.563910 Ca\n0.105368 0.224919 0.322585 B\n0.894632 0.775081 0.677415 B\n0.775081 0.894632 0.177415 B\n0.224919 0.105368 0.822585 B\n0.275299 0.418453 0.170409 B\n0.724701 0.581547 0.829591 B\n0.581547 0.724701 0.329591 B\n0.418453 0.275299 0.670409 B\n0.971236 0.396065 0.167947 B\n0.028764 0.603935 0.832053 B\n0.603935 0.028764 0.332053 B\n0.396065 0.971236 0.667947 B\n0.215783 0.342424 0.292889 O\n0.784217 0.657576 0.707111 O\n0.657576 0.784217 0.207111 O\n0.342424 0.215783 0.792889 O\n0.941638 0.301729 0.294619 O\n0.058362 0.698271 0.705380 O\n0.698271 0.058362 0.205381 O\n0.301729 0.941638 0.794620 O\n0.500701 0.807235 0.647234 O\n0.499299 0.192765 0.352766 O\n0.192765 0.499299 0.852766 O\n0.807235 0.500701 0.147234 O\n0.409157 0.284945 0.119306 O\n0.590843 0.715055 0.880694 O\n0.715055 0.590843 0.380694 O\n0.284945 0.409157 0.619306 O\n0.332774 0.939447 0.098201 O\n0.667226 0.060553 0.901799 O\n0.060553 0.667226 0.401799 O\n0.939447 0.332774 0.598201 O\n0.395163 0.540121 0.118477 O\n0.604837 0.459879 0.881523 O\n0.459879 0.604837 0.381523 O\n0.540121 0.395163 0.618477 O\n0.127251 0.479163 0.120025 O\n0.872749 0.520837 0.879975 O\n0.520837 0.872749 0.379975 O\n0.479163 0.127251 0.620025 O\n0.734140 0.016197 0.383872 O\n0.265860 0.983803 0.616128 O\n0.983803 0.265860 0.116128 O\n0.016197 0.734140 0.883872 O\n0.920071 0.305889 0.520234 O\n0.079929 0.694111 0.479766 O\n0.694111 0.079929 0.979766 O\n0.305889 0.920071 0.020234 O\n0.143704 0.047864 0.355934 O\n0.856296 0.952136 0.644066 O\n0.952136 0.856296 0.144066 O\n0.047864 0.143704 0.855934 O\n",
"nsites": 58,
"nelements": 3,
"elements": [
"Ca",
"B",
"O"
],
"chemical_system": "B-Ca-O",
"density": 2.159153028609641,
"density_atomic": 0.07465609566841222,
"volume": 776.8957039704986,
"volume_molar": 8.066509112326955,
"formula_full": "Ca6 B12 O40",
"formula_reduced": "Ca3(B3O10)2",
"formula_anonymous": "A3B6C20",
"energy": -387.66796495,
"energy_per_atom": -6.683930430172413,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -381.22796495,
"band_gap": 0.1561999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.9980594,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.070000Z",
"spacegroup": 15
},
{
"id": "mp-8874",
"created_at": "2022-09-04T14:42:46.263255Z",
"structure_string": "Li1 Si1 B1 O4\n1.0\n-2.225350 2.225350 3.448587\n2.225350 -2.225350 3.448587\n2.225350 2.225350 -3.448587\nLi Si B O\n1 1 1 4\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Si\n0.250000 0.750000 0.500000 B\n0.144236 0.024950 0.425114 O\n0.599836 0.719122 0.574886 O\n0.975050 0.400164 0.119287 O\n0.280878 0.855764 0.880713 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Li",
"Si",
"B",
"O"
],
"chemical_system": "B-Li-O-Si",
"density": 2.6698841511887004,
"density_atomic": 0.10247081965451377,
"volume": 68.31213045431764,
"volume_molar": 5.876932360162622,
"formula_full": "Li1 Si1 B1 O4",
"formula_reduced": "LiSiBO4",
"formula_anonymous": "ABCD4",
"energy": -54.61176961,
"energy_per_atom": -7.801681372857144,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.86376961,
"band_gap": 6.4308,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001638,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:50.622000Z",
"spacegroup": 82
},
{
"id": "mp-1238553",
"created_at": "2022-09-04T14:42:46.263843Z",
"structure_string": "Cs2 Zn5 P6 H14 O28\n1.0\n8.209430 0.221863 -3.289998\n-2.747102 8.914562 -3.863748\n-0.162842 -0.336460 10.043926\nCs Zn P H O\n2 5 6 14 28\ndirect\n0.003207 0.461885 0.727575 Cs\n0.996793 0.538115 0.272425 Cs\n0.559885 0.172071 0.711688 Zn\n0.440115 0.827929 0.288312 Zn\n0.097068 0.159250 0.938338 Zn\n0.902932 0.840750 0.061662 Zn\n0.500000 0.500000 0.500000 Zn\n0.667975 0.071170 0.991052 P\n0.332025 0.928830 0.008948 P\n0.621865 0.520134 0.867293 P\n0.378135 0.479866 0.132707 P\n0.806144 0.053284 0.562126 P\n0.193856 0.946716 0.437874 P\n0.709161 0.767974 0.548792 H\n0.290839 0.232026 0.451208 H\n0.817621 0.743314 0.705220 H\n0.182379 0.256686 0.294780 H\n0.384908 0.644505 0.714175 H\n0.615092 0.355495 0.285825 H\n0.367727 0.743024 0.624583 H\n0.632273 0.256976 0.375417 H\n0.376537 0.080035 0.279708 H\n0.623463 0.919965 0.720292 H\n0.445117 0.610718 0.966217 H\n0.554883 0.389282 0.033783 H\n0.913348 0.032746 0.386390 H\n0.086652 0.967254 0.613610 H\n0.724216 0.937577 0.007965 O\n0.275784 0.062423 0.992035 O\n0.838388 0.210849 0.060488 O\n0.161612 0.789151 0.939512 O\n0.579991 0.001509 0.774721 O\n0.420009 0.998491 0.225279 O\n0.015642 0.188906 0.098730 O\n0.984358 0.811094 0.901270 O\n0.591352 0.372988 0.883057 O\n0.408648 0.627012 0.116943 O\n0.621024 0.484235 0.704682 O\n0.378976 0.515765 0.295318 O\n0.786086 0.636562 0.020144 O\n0.213914 0.363438 0.979856 O\n0.459472 0.582879 0.863348 O\n0.540528 0.417121 0.136652 O\n0.676589 0.893384 0.465139 O\n0.323411 0.106616 0.534861 O\n0.972657 0.053376 0.692771 O\n0.027343 0.946624 0.307229 O\n0.732438 0.179711 0.636659 O\n0.267562 0.820289 0.363341 O\n0.851987 0.095913 0.443728 O\n0.148013 0.904087 0.556272 O\n0.702653 0.711244 0.608007 O\n0.297347 0.288756 0.391993 O\n0.345570 0.638565 0.604269 O\n0.654430 0.361435 0.395731 O\n",
"nsites": 55,
"nelements": 5,
"elements": [
"Cs",
"Zn",
"P",
"H",
"O"
],
"chemical_system": "Cs-H-O-P-Zn",
"density": 2.850475767801923,
"density_atomic": 0.07609071554515535,
"volume": 722.8214323646456,
"volume_molar": 7.9144225637176655,
"formula_full": "Cs2 Zn5 P6 H14 O28",
"formula_reduced": "Cs2Zn5P6(HO2)14",
"formula_anonymous": "A2B5C6D14E28",
"energy": -327.42304912,
"energy_per_atom": -5.9531463476363635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -308.18704912,
"band_gap": 2.617,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003023,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.550000Z",
"spacegroup": 2
},
{
"id": "mp-20113",
"created_at": "2022-09-04T14:42:46.270279Z",
"structure_string": "Cs4 Fe4 P8 O28\n1.0\n10.112839 0.000000 0.000000\n0.000000 7.808700 0.000000\n0.000000 2.198582 8.226303\nCs Fe P O\n4 4 8 28\ndirect\n0.205953 0.698119 0.462016 Cs\n0.705953 0.301881 0.037984 Cs\n0.794047 0.301881 0.537984 Cs\n0.294047 0.698119 0.962016 Cs\n0.101108 0.259367 0.257936 Fe\n0.601108 0.740633 0.242064 Fe\n0.898892 0.740633 0.742064 Fe\n0.398892 0.259367 0.757936 Fe\n0.874872 0.922116 0.318989 P\n0.374872 0.077884 0.181011 P\n0.125128 0.077884 0.681011 P\n0.625128 0.922116 0.818989 P\n0.093069 0.369332 0.833591 P\n0.593069 0.630668 0.666409 P\n0.906931 0.630668 0.166409 P\n0.406931 0.369332 0.333591 P\n0.728655 0.931906 0.267706 O\n0.228655 0.068094 0.232294 O\n0.271345 0.068094 0.732294 O\n0.771345 0.931906 0.767706 O\n0.934492 0.108641 0.271359 O\n0.434492 0.891359 0.228641 O\n0.065508 0.891359 0.728641 O\n0.565508 0.108641 0.771359 O\n0.899881 0.820281 0.494480 O\n0.399881 0.179719 0.005520 O\n0.100119 0.179719 0.505520 O\n0.600119 0.820281 0.994480 O\n0.045720 0.185602 0.793307 O\n0.545720 0.814398 0.706693 O\n0.954280 0.814398 0.206693 O\n0.454280 0.185602 0.293307 O\n0.499150 0.513901 0.235483 O\n0.999150 0.486099 0.264517 O\n0.500850 0.486099 0.764517 O\n0.000850 0.513901 0.735483 O\n0.264594 0.406671 0.270113 O\n0.764594 0.593329 0.229887 O\n0.735406 0.593329 0.729887 O\n0.235406 0.406671 0.770113 O\n0.419371 0.339799 0.515791 O\n0.919371 0.660201 0.984209 O\n0.580629 0.660201 0.484209 O\n0.080629 0.339799 0.015791 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Cs",
"Fe",
"P",
"O"
],
"chemical_system": "Cs-Fe-O-P",
"density": 3.708451968532037,
"density_atomic": 0.06773234991240014,
"volume": 649.6157309897892,
"volume_molar": 8.891084936206376,
"formula_full": "Cs4 Fe4 P8 O28",
"formula_reduced": "CsFeP2O7",
"formula_anonymous": "ABC2D7",
"energy": -330.47963882,
"energy_per_atom": -7.510900882272727,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -302.21963882,
"band_gap": 2.1304,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 20.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:53.554000Z",
"spacegroup": 14
},
{
"id": "mp-1213872",
"created_at": "2022-09-04T14:42:46.280844Z",
"structure_string": "Ce16 Cd4 Pt4\n1.0\n0.000000 6.969752 6.969752\n6.969752 0.000000 6.969752\n6.969752 6.969752 0.000000\nCe Cd Pt\n16 4 4\ndirect\n0.352971 0.352971 0.352971 Ce\n0.352971 0.352971 0.941088 Ce\n0.352971 0.941088 0.352971 Ce\n0.941088 0.352971 0.352971 Ce\n0.804483 0.195517 0.195517 Ce\n0.195517 0.804483 0.804483 Ce\n0.195517 0.804483 0.195517 Ce\n0.804483 0.195517 0.804483 Ce\n0.195517 0.195517 0.804483 Ce\n0.804483 0.804483 0.195517 Ce\n0.935157 0.564843 0.564843 Ce\n0.564843 0.935157 0.935157 Ce\n0.564843 0.935157 0.564843 Ce\n0.935157 0.564843 0.935157 Ce\n0.564843 0.564843 0.935157 Ce\n0.935157 0.935157 0.564843 Ce\n0.579667 0.579667 0.579667 Cd\n0.579667 0.579667 0.260998 Cd\n0.579667 0.260998 0.579667 Cd\n0.260998 0.579667 0.579667 Cd\n0.142543 0.142543 0.142543 Pt\n0.142543 0.142543 0.572371 Pt\n0.142543 0.572371 0.142543 Pt\n0.572371 0.142543 0.142543 Pt\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ce",
"Cd",
"Pt"
],
"chemical_system": "Cd-Ce-Pt",
"density": 8.513856548910832,
"density_atomic": 0.035442901726261654,
"volume": 677.1454601928667,
"volume_molar": 16.991105317818416,
"formula_full": "Ce16 Cd4 Pt4",
"formula_reduced": "Ce4CdPt",
"formula_anonymous": "ABC4",
"energy": -131.88537754,
"energy_per_atom": -5.495224064166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -131.88537754,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.8481748,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.241000Z",
"spacegroup": 216
},
{
"id": "mp-581795",
"created_at": "2022-09-04T14:42:46.292129Z",
"structure_string": "Er4 Te8 O22\n1.0\n2.572019 6.214195 0.000000\n-2.572019 6.214195 0.000000\n0.000000 4.287536 15.681362\nEr Te O\n4 8 22\ndirect\n0.631395 0.129548 0.037038 Er\n0.368605 0.870452 0.962962 Er\n0.129548 0.631395 0.537038 Er\n0.870452 0.368605 0.462962 Er\n0.844687 0.410381 0.124946 Te\n0.157879 0.597848 0.197815 Te\n0.589619 0.155313 0.375054 Te\n0.842121 0.402152 0.802185 Te\n0.597848 0.157879 0.697815 Te\n0.155313 0.589619 0.875054 Te\n0.410381 0.844687 0.624946 Te\n0.402152 0.842121 0.302185 Te\n0.909183 0.792394 0.666401 O\n0.808934 0.685047 0.872888 O\n0.191066 0.314953 0.127112 O\n0.245508 0.338816 0.448373 O\n0.207606 0.090817 0.833599 O\n0.314953 0.191066 0.627112 O\n0.090817 0.207606 0.333599 O\n0.035949 0.826508 0.955629 O\n0.826508 0.035949 0.455629 O\n0.338816 0.245508 0.948373 O\n0.661184 0.754492 0.051627 O\n0.854358 0.145642 0.750000 O\n0.400799 0.550829 0.095247 O\n0.685047 0.808934 0.372888 O\n0.599201 0.449171 0.904753 O\n0.550829 0.400799 0.595247 O\n0.145642 0.854358 0.250000 O\n0.449171 0.599201 0.404753 O\n0.754492 0.661184 0.551627 O\n0.173492 0.964051 0.544371 O\n0.964051 0.173492 0.044371 O\n0.792394 0.909183 0.166401 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Er",
"Te",
"O"
],
"chemical_system": "Er-O-Te",
"density": 6.763855495718006,
"density_atomic": 0.06782754391057118,
"volume": 501.2712836075577,
"volume_molar": 8.878606555384097,
"formula_full": "Er4 Te8 O22",
"formula_reduced": "Er2Te4O11",
"formula_anonymous": "A2B4C11",
"energy": -230.79443298,
"energy_per_atom": -6.788071558235295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -215.68043298,
"band_gap": 3.2333,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010297,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:53.197000Z",
"spacegroup": 15
},
{
"id": "mp-1517712",
"created_at": "2022-09-04T14:42:46.292327Z",
"structure_string": "Sr1 Ca1 Tb1 V1 O6\n1.0\n0.000000 -4.102979 -4.102979\n4.102979 -0.000000 -4.102979\n4.102979 -4.102979 0.000000\nSr Ca Tb V O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 V\n0.730716 0.269284 0.269284 O\n0.269284 0.730716 0.730716 O\n0.730716 0.269284 0.730716 O\n0.269284 0.730716 0.269284 O\n0.730716 0.730716 0.269284 O\n0.269284 0.269284 0.730716 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Tb",
"V",
"O"
],
"chemical_system": "Ca-O-Sr-Tb-V",
"density": 5.211607244075198,
"density_atomic": 0.07238892410357824,
"volume": 138.14268030412256,
"volume_molar": 8.319146657551057,
"formula_full": "Sr1 Ca1 Tb1 V1 O6",
"formula_reduced": "SrCaTbVO6",
"formula_anonymous": "ABCDE6",
"energy": -77.94771857,
"energy_per_atom": -7.794771857000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.12571857,
"band_gap": 1.6166999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.840000Z",
"spacegroup": 216
}
]
}