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=-nelements&page=10137",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=10135",
"results": [
{
"id": "mp-10398",
"created_at": "2022-09-04T14:44:22.484165Z",
"structure_string": "Ho2 Ni8 B2\n1.0\n2.475938 -4.288450 0.000000\n2.475938 4.288450 0.000000\n0.000000 0.000000 6.949218\nHo Ni B\n2 8 2\ndirect\n0.000000 0.000000 0.500000 Ho\n0.000000 0.000000 0.000000 Ho\n0.000000 0.500000 0.208288 Ni\n0.500000 0.000000 0.791712 Ni\n0.500000 0.500000 0.791712 Ni\n0.000000 0.500000 0.791712 Ni\n0.333333 0.666667 0.500000 Ni\n0.666667 0.333333 0.500000 Ni\n0.500000 0.000000 0.208288 Ni\n0.500000 0.500000 0.208288 Ni\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ho",
"Ni",
"B"
],
"chemical_system": "B-Ho-Ni",
"density": 9.238511236172453,
"density_atomic": 0.08131584853914485,
"volume": 147.57270834139163,
"volume_molar": 7.405863516385722,
"formula_full": "Ho2 Ni8 B2",
"formula_reduced": "HoNi4B",
"formula_anonymous": "ABC4",
"energy": -74.78514356,
"energy_per_atom": -6.2320952966666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.78514356,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009261,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:19.655000Z",
"spacegroup": 191
},
{
"id": "mp-1080733",
"created_at": "2022-09-04T14:44:22.182542Z",
"structure_string": "Hf3 Co3 Sn3\n1.0\n3.277796 -5.677310 0.000000\n3.277796 5.677310 0.000000\n0.000000 0.000000 4.318458\nHf Co Sn\n3 3 3\ndirect\n0.468210 0.000000 0.500000 Hf\n0.000000 0.468210 0.500000 Hf\n0.531790 0.531790 0.500000 Hf\n0.764817 0.000000 0.000000 Co\n0.000000 0.764817 0.000000 Co\n0.235183 0.235183 0.000000 Co\n0.333333 0.666667 0.000000 Sn\n0.666667 0.333333 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Hf",
"Co",
"Sn"
],
"chemical_system": "Co-Hf-Sn",
"density": 11.038233648049452,
"density_atomic": 0.05599629385288897,
"volume": 160.7249226822834,
"volume_molar": 10.754534533698083,
"formula_full": "Hf3 Co3 Sn3",
"formula_reduced": "HfCoSn",
"formula_anonymous": "ABC",
"energy": -65.54981947,
"energy_per_atom": -7.283313274444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.54981947,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6561662,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:24.347000Z",
"spacegroup": 189
},
{
"id": "mp-1203033",
"created_at": "2022-09-04T14:44:22.198231Z",
"structure_string": "Li12 B32 O60\n1.0\n4.513144 -7.816995 0.000000\n4.513144 7.816995 0.000000\n0.000000 0.000000 15.995677\nLi B O\n12 32 60\ndirect\n0.691677 0.661846 0.750000 Li\n0.338154 0.029830 0.750000 Li\n0.970170 0.308323 0.750000 Li\n0.661846 0.691677 0.250000 Li\n0.029830 0.338154 0.250000 Li\n0.308323 0.970170 0.250000 Li\n0.437257 0.000000 0.500000 Li\n0.000000 0.437257 0.500000 Li\n0.562743 0.562743 0.500000 Li\n0.437257 0.000000 0.000000 Li\n0.000000 0.437257 0.000000 Li\n0.562743 0.562743 0.000000 Li\n0.841966 0.477359 0.664133 B\n0.522641 0.364608 0.664133 B\n0.635392 0.158034 0.664133 B\n0.841966 0.477359 0.835867 B\n0.522641 0.364608 0.835867 B\n0.635392 0.158034 0.835867 B\n0.477359 0.841966 0.164133 B\n0.364608 0.522641 0.164133 B\n0.158034 0.635392 0.164133 B\n0.477359 0.841966 0.335867 B\n0.364608 0.522641 0.335867 B\n0.158034 0.635392 0.335867 B\n0.000000 0.000000 0.750000 B\n0.000000 0.000000 0.250000 B\n0.056184 0.752581 0.750000 B\n0.247419 0.303602 0.750000 B\n0.696398 0.943816 0.750000 B\n0.752581 0.056184 0.250000 B\n0.303602 0.247419 0.250000 B\n0.943816 0.696398 0.250000 B\n0.114928 0.727369 0.602813 B\n0.272631 0.387559 0.602813 B\n0.612441 0.885072 0.602813 B\n0.114928 0.727369 0.897187 B\n0.272631 0.387559 0.897187 B\n0.612441 0.885072 0.897187 B\n0.727369 0.114928 0.102813 B\n0.387559 0.272631 0.102813 B\n0.885072 0.612441 0.102813 B\n0.727369 0.114928 0.397187 B\n0.387559 0.272631 0.397187 B\n0.885072 0.612441 0.397187 B\n0.944459 0.560368 0.750000 O\n0.439632 0.384091 0.750000 O\n0.615909 0.055541 0.750000 O\n0.560368 0.944459 0.250000 O\n0.384091 0.439632 0.250000 O\n0.055541 0.615909 0.250000 O\n0.966484 0.571475 0.594880 O\n0.428525 0.395009 0.594880 O\n0.604991 0.033516 0.594880 O\n0.966484 0.571475 0.905120 O\n0.428525 0.395009 0.905120 O\n0.604991 0.033516 0.905120 O\n0.571475 0.966484 0.094880 O\n0.395009 0.428525 0.094880 O\n0.033516 0.604991 0.094880 O\n0.571475 0.966484 0.405120 O\n0.395009 0.428525 0.405120 O\n0.033516 0.604991 0.405120 O\n0.171396 0.810137 0.822271 O\n0.189863 0.361259 0.822271 O\n0.638741 0.828604 0.822271 O\n0.171396 0.810137 0.677729 O\n0.189863 0.361259 0.677729 O\n0.638741 0.828604 0.677729 O\n0.810137 0.171396 0.322271 O\n0.361259 0.189863 0.322271 O\n0.828604 0.638741 0.322271 O\n0.810137 0.171396 0.177729 O\n0.361259 0.189863 0.177729 O\n0.828604 0.638741 0.177729 O\n0.944405 0.827534 0.750000 O\n0.172466 0.116871 0.750000 O\n0.883129 0.055595 0.750000 O\n0.827534 0.944405 0.250000 O\n0.116871 0.172466 0.250000 O\n0.055595 0.883129 0.250000 O\n0.804787 0.303461 0.662468 O\n0.696539 0.501326 0.662468 O\n0.498674 0.195213 0.662468 O\n0.804787 0.303461 0.837532 O\n0.696539 0.501326 0.837532 O\n0.498674 0.195213 0.837532 O\n0.303461 0.804787 0.162468 O\n0.501326 0.696539 0.162468 O\n0.195213 0.498674 0.162468 O\n0.303461 0.804787 0.337532 O\n0.501326 0.696539 0.337532 O\n0.195213 0.498674 0.337532 O\n0.218440 0.807563 0.535976 O\n0.192437 0.410877 0.535976 O\n0.589123 0.781560 0.535976 O\n0.218440 0.807563 0.964024 O\n0.192437 0.410877 0.964024 O\n0.589123 0.781560 0.964024 O\n0.807563 0.218440 0.035976 O\n0.410877 0.192437 0.035976 O\n0.781560 0.589123 0.035976 O\n0.807563 0.218440 0.464024 O\n0.410877 0.192437 0.464024 O\n0.781560 0.589123 0.464024 O\n",
"nsites": 104,
"nelements": 3,
"elements": [
"Li",
"B",
"O"
],
"chemical_system": "B-Li-O",
"density": 2.043923922168468,
"density_atomic": 0.09214710445761035,
"volume": 1128.6301464615444,
"volume_molar": 6.5353553922796515,
"formula_full": "Li12 B32 O60",
"formula_reduced": "Li3B8O15",
"formula_anonymous": "A3B8C15",
"energy": -797.1068870600001,
"energy_per_atom": -7.664489298653847,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -755.88688706,
"band_gap": 0.0227999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 12.0798431,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:36.291000Z",
"spacegroup": 190
},
{
"id": "mp-1099761",
"created_at": "2022-09-04T14:44:22.274871Z",
"structure_string": "Sr4 Cu4 O10\n1.0\n-2.759173 2.764489 7.953017\n2.759173 -2.764489 7.953017\n2.759173 2.764489 -7.953017\nSr Cu O\n4 4 10\ndirect\n0.386312 0.885384 0.490410 Sr\n0.605026 0.114616 0.500929 Sr\n0.886312 0.395902 0.500929 Sr\n0.105026 0.604098 0.490410 Sr\n0.994775 0.000000 0.994775 Cu\n0.494775 0.500000 0.994775 Cu\n0.775825 0.806430 0.082255 Cu\n0.275825 0.193570 0.969395 Cu\n0.752186 0.752371 0.495453 O\n0.743081 0.247629 0.999815 O\n0.252186 0.756734 0.999815 O\n0.243081 0.243266 0.495453 O\n0.850689 0.829752 0.957250 O\n0.127499 0.170248 0.020937 O\n0.350689 0.393438 0.020937 O\n0.627499 0.606562 0.957250 O\n0.100607 0.889105 0.489712 O\n0.600607 0.110895 0.211502 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sr",
"Cu",
"O"
],
"chemical_system": "Cu-O-Sr",
"density": 5.232757804853412,
"density_atomic": 0.07417999593866874,
"volume": 242.65301948630753,
"volume_molar": 8.118281328808706,
"formula_full": "Sr4 Cu4 O10",
"formula_reduced": "Sr2Cu2O5",
"formula_anonymous": "A2B2C5",
"energy": -106.96505831000002,
"energy_per_atom": -5.942503239444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.09505830999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.018000Z",
"spacegroup": 46
},
{
"id": "mp-755003",
"created_at": "2022-09-04T14:44:22.358850Z",
"structure_string": "La2 Bi2 O6\n1.0\n5.453567 -3.150262 0.000000\n5.453567 3.150262 0.000000\n3.633813 0.000000 5.144020\nLa Bi O\n2 2 6\ndirect\n0.866578 0.866578 0.866578 La\n0.133422 0.133422 0.133422 La\n0.648599 0.648599 0.648599 Bi\n0.351401 0.351401 0.351401 Bi\n0.994908 0.232272 0.534962 O\n0.465038 0.005092 0.767728 O\n0.767728 0.465038 0.005092 O\n0.232272 0.534962 0.994908 O\n0.534962 0.994908 0.232272 O\n0.005092 0.767728 0.465038 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"La",
"Bi",
"O"
],
"chemical_system": "Bi-La-O",
"density": 7.438530497077172,
"density_atomic": 0.05657701472609393,
"volume": 176.75022353888693,
"volume_molar": 10.644147255126425,
"formula_full": "La2 Bi2 O6",
"formula_reduced": "LaBiO3",
"formula_anonymous": "ABC3",
"energy": -74.62360249,
"energy_per_atom": -7.462360249,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.50160249,
"band_gap": 2.4003999999999994,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001158,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.926000Z",
"spacegroup": 148
},
{
"id": "mp-753503",
"created_at": "2022-09-04T14:44:22.197639Z",
"structure_string": "Li2 Mn4 F14\n1.0\n4.997755 2.750249 0.000000\n-4.997755 2.750249 0.000000\n0.000000 2.695359 9.344322\nLi Mn F\n2 4 14\ndirect\n0.899940 0.411716 0.162863 Li\n0.411716 0.899940 0.662863 Li\n0.776539 0.680888 0.576391 Mn\n0.324646 0.252828 0.931361 Mn\n0.680888 0.776539 0.076391 Mn\n0.252828 0.324646 0.431361 Mn\n0.064994 0.894271 0.405425 F\n0.493762 0.559067 0.757429 F\n0.726752 0.514593 0.993970 F\n0.117470 0.942877 0.096709 F\n0.633364 0.013352 0.167432 F\n0.013352 0.633364 0.667432 F\n0.514593 0.726752 0.493970 F\n0.489472 0.260547 0.533787 F\n0.047704 0.413405 0.332823 F\n0.413405 0.047704 0.832823 F\n0.894271 0.064994 0.905425 F\n0.260547 0.489472 0.033787 F\n0.559067 0.493762 0.257429 F\n0.942877 0.117470 0.596709 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.229661728617627,
"density_atomic": 0.07785835554003322,
"volume": 256.8767328988396,
"volume_molar": 7.734739217428674,
"formula_full": "Li2 Mn4 F14",
"formula_reduced": "LiMn2F7",
"formula_anonymous": "AB2C7",
"energy": -123.31016134,
"energy_per_atom": -6.165508066999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.17016134,
"band_gap": 1.3095,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0014261,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.562000Z",
"spacegroup": 9
},
{
"id": "mp-1275132",
"created_at": "2022-09-04T14:44:22.210119Z",
"structure_string": "Co4 Ni2 O8\n1.0\n4.193501 0.003394 4.133800\n-0.019150 4.193107 4.163525\n0.005296 0.050372 8.266495\nCo Ni O\n4 2 8\ndirect\n0.750016 0.750013 0.874975 Co\n0.750000 0.250004 0.375001 Co\n0.250013 0.749995 0.374980 Co\n0.250000 0.250011 0.374993 Co\n0.497974 0.516317 0.747779 Ni\n0.001947 0.983605 0.002396 Ni\n0.286971 0.248177 0.586773 O\n0.288638 0.705256 0.128251 O\n0.706634 0.248590 0.140991 O\n0.737382 0.707832 0.134654 O\n0.213021 0.251815 0.163229 O\n0.211395 0.794754 0.621692 O\n0.793370 0.251451 0.608982 O\n0.762640 0.792181 0.615305 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Ni-O",
"density": 5.533317209817136,
"density_atomic": 0.09696517983976853,
"volume": 144.38172571983569,
"volume_molar": 6.210621967546878,
"formula_full": "Co4 Ni2 O8",
"formula_reduced": "Co2NiO4",
"formula_anonymous": "AB2C4",
"energy": -96.06645943,
"energy_per_atom": -6.861889959285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.93645943,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.941000Z",
"spacegroup": 2
},
{
"id": "mp-766168",
"created_at": "2022-09-04T14:44:22.221069Z",
"structure_string": "Ti8 Sn2 O20\n1.0\n4.698932 0.000000 0.000000\n-0.002600 5.583827 0.000000\n-0.003152 -2.614394 12.715487\nTi Sn O\n8 2 20\ndirect\n0.501685 0.090308 0.903387 Ti\n0.500000 0.500000 0.500000 Ti\n0.498315 0.909692 0.096613 Ti\n0.995239 0.799257 0.700123 Ti\n0.000000 0.000000 0.500000 Ti\n0.004761 0.200743 0.299877 Ti\n0.982422 0.403002 0.098282 Ti\n0.017578 0.596998 0.901718 Ti\n0.498569 0.699898 0.298608 Sn\n0.501431 0.300102 0.701392 Sn\n0.817502 0.546959 0.763170 O\n0.802044 0.749789 0.563048 O\n0.818113 0.943997 0.360654 O\n0.801657 0.147862 0.160233 O\n0.806233 0.344343 0.961087 O\n0.698894 0.033429 0.766319 O\n0.699842 0.245113 0.555205 O\n0.698737 0.644925 0.153281 O\n0.694236 0.846018 0.961798 O\n0.699762 0.434754 0.364494 O\n0.301263 0.355075 0.846719 O\n0.301106 0.966571 0.233681 O\n0.300238 0.565246 0.635506 O\n0.300158 0.754887 0.444795 O\n0.305764 0.153982 0.038202 O\n0.197956 0.250211 0.436952 O\n0.198343 0.852138 0.839767 O\n0.193767 0.655657 0.038913 O\n0.181887 0.056003 0.639346 O\n0.182498 0.453041 0.236830 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Ti",
"Sn",
"O"
],
"chemical_system": "O-Sn-Ti",
"density": 4.680278995221665,
"density_atomic": 0.08992017468618865,
"volume": 333.6292451020768,
"volume_molar": 6.697207585524157,
"formula_full": "Ti8 Sn2 O20",
"formula_reduced": "Ti4SnO10",
"formula_anonymous": "AB4C10",
"energy": -265.35671004,
"energy_per_atom": -8.845223668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -251.61671004,
"band_gap": 1.7655000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003089,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.703000Z",
"spacegroup": 2
},
{
"id": "mp-1224113",
"created_at": "2022-09-04T14:44:22.354262Z",
"structure_string": "Ho1 Al3 Cu1\n1.0\n0.000000 -4.127344 0.000000\n-4.133950 0.000000 0.000000\n-2.066975 -2.063672 -5.341464\nHo Al Cu\n1 3 1\ndirect\n0.995117 0.995117 0.009766 Ho\n0.401205 0.401205 0.197590 Al\n0.741698 0.241698 0.516604 Al\n0.241793 0.741793 0.516414 Al\n0.620187 0.620187 0.759626 Cu\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ho",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Ho",
"density": 5.63770828414343,
"density_atomic": 0.054862274873034904,
"volume": 91.13730722197096,
"volume_molar": 10.976833851561473,
"formula_full": "Ho1 Al3 Cu1",
"formula_reduced": "HoAl3Cu",
"formula_anonymous": "ABC3",
"energy": -22.05319931,
"energy_per_atom": -4.410639862,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.05319931,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002406,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.870000Z",
"spacegroup": 107
},
{
"id": "mp-1178298",
"created_at": "2022-09-04T14:44:23.141567Z",
"structure_string": "Fe8 O6 F10\n1.0\n4.783674 0.000000 0.000000\n-0.267450 7.810360 0.000000\n-0.227759 -1.920892 7.607177\nFe O F\n8 6 10\ndirect\n0.503322 0.880632 0.644608 Fe\n0.471620 0.614999 0.849410 Fe\n0.497760 0.372874 0.120205 Fe\n0.564625 0.135587 0.387845 Fe\n0.985083 0.773337 0.249702 Fe\n0.001053 0.496439 0.493040 Fe\n0.009024 0.248854 0.754624 Fe\n0.968385 0.986288 0.001098 Fe\n0.796960 0.972253 0.234858 O\n0.683232 0.829335 0.844234 O\n0.698015 0.358823 0.344522 O\n0.692889 0.092860 0.603993 O\n0.287612 0.648379 0.637685 O\n0.318239 0.406067 0.910296 O\n0.799129 0.477438 0.713494 F\n0.804672 0.721835 0.461564 F\n0.794199 0.230040 0.987931 F\n0.709718 0.598986 0.099299 F\n0.304947 0.153057 0.156361 F\n0.299723 0.901797 0.403049 F\n0.206033 0.018978 0.783310 F\n0.191386 0.537123 0.272913 F\n0.210116 0.766639 0.035736 F\n0.202264 0.277380 0.510225 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.280979072001274,
"density_atomic": 0.08444133538774919,
"volume": 284.2209907007456,
"volume_molar": 7.13174505394392,
"formula_full": "Fe8 O6 F10",
"formula_reduced": "Fe4O3F5",
"formula_anonymous": "A3B4C5",
"energy": -167.79791404,
"energy_per_atom": -6.9915797516666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.00791404,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 38.0004835,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.479000Z",
"spacegroup": 1
},
{
"id": "mp-1028240",
"created_at": "2022-09-04T14:44:24.112102Z",
"structure_string": "Mg14 Al1 Cr1\n1.0\n6.258583 0.000000 0.000000\n-3.129292 5.420092 -0.000000\n0.000000 0.000000 10.282479\nMg Al Cr\n14 1 1\ndirect\n0.165823 0.832911 0.125000 Mg\n0.166951 0.833475 0.625000 Mg\n0.667089 0.334177 0.125000 Mg\n0.666525 0.333049 0.625000 Mg\n0.667089 0.832911 0.125000 Mg\n0.666525 0.833475 0.625000 Mg\n0.331513 0.168487 0.375310 Mg\n0.331513 0.168487 0.874690 Mg\n0.331513 0.663027 0.375310 Mg\n0.331513 0.663027 0.874690 Mg\n0.836973 0.168487 0.375310 Mg\n0.836973 0.168487 0.874690 Mg\n0.833333 0.666667 0.375047 Mg\n0.833333 0.666667 0.874953 Mg\n0.166667 0.333333 0.125000 Al\n0.166667 0.333333 0.625000 Cr\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Cr"
],
"chemical_system": "Al-Cr-Mg",
"density": 1.9959020167146027,
"density_atomic": 0.045871134042359006,
"volume": 348.8032361533735,
"volume_molar": 13.128388660369602,
"formula_full": "Mg14 Al1 Cr1",
"formula_reduced": "Mg14AlCr",
"formula_anonymous": "ABC14",
"energy": -34.65881232,
"energy_per_atom": -2.16617577,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.65881232,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.6014155,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.801000Z",
"spacegroup": 187
},
{
"id": "mp-3869",
"created_at": "2022-09-04T14:44:22.725156Z",
"structure_string": "Tb1 B1 Rh3\n1.0\n4.215298 0.000000 0.000000\n0.000000 4.215298 0.000000\n0.000000 0.000000 4.215298\nTb B Rh\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tb",
"B",
"Rh"
],
"chemical_system": "B-Rh-Tb",
"density": 10.60726444088818,
"density_atomic": 0.06675520854734833,
"volume": 74.90052250310303,
"volume_molar": 9.02122979022468,
"formula_full": "Tb1 B1 Rh3",
"formula_reduced": "TbBRh3",
"formula_anonymous": "ABC3",
"energy": -37.3351817,
"energy_per_atom": -7.46703634,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.3351817,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0259286,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:40.907000Z",
"spacegroup": 221
}
]
}