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_stable&page=66",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_stable&page=64",
"results": [
{
"id": "mp-619791",
"created_at": "2022-09-04T14:39:21.813267Z",
"structure_string": "La10 C4 Cl18\n1.0\n8.704042 0.000000 0.000000\n4.197459 7.683524 0.000000\n0.907168 0.700972 11.972880\nLa C Cl\n10 4 18\ndirect\n0.873555 0.731898 0.729566 La\n0.126445 0.268102 0.270434 La\n0.206201 0.680616 0.492677 La\n0.388760 0.401869 0.781897 La\n0.793799 0.319384 0.507323 La\n0.895856 0.297319 0.993170 La\n0.611240 0.598131 0.218103 La\n0.767425 0.081368 0.256657 La\n0.232575 0.918632 0.743343 La\n0.104144 0.702681 0.006830 La\n0.856116 0.305092 0.188049 C\n0.826442 0.314737 0.310882 C\n0.173558 0.685263 0.689118 C\n0.143884 0.694908 0.811951 C\n0.487901 0.986617 0.230441 Cl\n0.512099 0.013383 0.769559 Cl\n0.779501 0.040295 0.020851 Cl\n0.541117 0.676840 0.449630 Cl\n0.458883 0.323160 0.550370 Cl\n0.220499 0.959705 0.979149 Cl\n0.391376 0.417091 0.274766 Cl\n0.080574 0.337454 0.768689 Cl\n0.173298 0.053037 0.506039 Cl\n0.500000 0.500000 0.000000 Cl\n0.840633 0.128007 0.743524 Cl\n0.159367 0.871993 0.256476 Cl\n0.826702 0.946963 0.493961 Cl\n0.608624 0.582909 0.725234 Cl\n0.784148 0.669129 0.969071 Cl\n0.000000 0.500000 0.500000 Cl\n0.919426 0.662546 0.231311 Cl\n0.215852 0.330871 0.030929 Cl\n",
"nsites": 32,
"nelements": 3,
"elements": [
"La",
"C",
"Cl"
],
"chemical_system": "C-Cl-La",
"density": 4.303678039097355,
"density_atomic": 0.039964089088762936,
"volume": 800.7188636009154,
"volume_molar": 15.068880330599853,
"formula_full": "La10 C4 Cl18",
"formula_reduced": "La5C2Cl9",
"formula_anonymous": "A2B5C9",
"energy": -193.18253006,
"energy_per_atom": -6.036954064375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -182.13053006,
"band_gap": 1.5773,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.4e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.146000Z",
"spacegroup": 2
},
{
"id": "mp-684864",
"created_at": "2022-09-04T14:39:21.816161Z",
"structure_string": "Na6 Al4 Fe1 Si8 O26\n1.0\n4.041609 7.588019 0.000000\n-4.041609 7.588019 0.000000\n0.000000 4.274814 9.736812\nNa Al Fe Si O\n6 4 1 8 26\ndirect\n0.155325 0.160113 0.109916 Na\n0.277264 0.263045 0.442616 Na\n0.477954 0.455019 0.833790 Na\n0.544981 0.522046 0.166210 Na\n0.736955 0.722736 0.557384 Na\n0.839887 0.844675 0.890084 Na\n0.159468 0.551523 0.652039 Al\n0.448477 0.840532 0.347961 Al\n0.748890 0.132505 0.343963 Al\n0.867495 0.251110 0.656037 Al\n0.988554 0.011446 0.000000 Fe\n0.138383 0.741551 0.342807 Si\n0.150830 0.548449 0.132119 Si\n0.258449 0.861617 0.657193 Si\n0.534417 0.162631 0.131237 Si\n0.552986 0.152950 0.651314 Si\n0.451551 0.849170 0.867881 Si\n0.837369 0.465583 0.868763 Si\n0.847050 0.447014 0.348686 Si\n0.065499 0.732179 0.016119 O\n0.061704 0.661296 0.502061 O\n0.018312 0.443642 0.209659 O\n0.262667 0.663102 0.676849 O\n0.198356 0.582651 0.255323 O\n0.048690 0.024907 0.717606 O\n0.332948 0.313366 0.635847 O\n0.359734 0.377454 0.065588 O\n0.267821 0.934501 0.983881 O\n0.338704 0.938296 0.497939 O\n0.576185 0.204770 0.252262 O\n0.433072 0.029155 0.204821 O\n0.661280 0.241270 0.677024 O\n0.336898 0.737333 0.323151 O\n0.556358 0.981688 0.790341 O\n0.417349 0.801644 0.744677 O\n0.662081 0.052857 0.517190 O\n0.710251 0.092721 0.004978 O\n0.622546 0.640266 0.934412 O\n0.686634 0.667052 0.364153 O\n0.975093 0.951310 0.282394 O\n0.795230 0.423815 0.747738 O\n0.758730 0.338720 0.322976 O\n0.970845 0.566928 0.795179 O\n0.947143 0.337919 0.482810 O\n0.907279 0.289749 0.995022 O\n",
"nsites": 45,
"nelements": 5,
"elements": [
"Na",
"Al",
"Fe",
"Si",
"O"
],
"chemical_system": "Al-Fe-Na-O-Si",
"density": 2.6202626645932554,
"density_atomic": 0.07534996029577015,
"volume": 597.2133206621759,
"volume_molar": 7.992228179499199,
"formula_full": "Na6 Al4 Fe1 Si8 O26",
"formula_reduced": "Na6Al4Fe(Si4O13)2",
"formula_anonymous": "AB4C6D8E26",
"energy": -340.71878164,
"energy_per_atom": -7.5715284808888885,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -320.60078164,
"band_gap": 3.1539,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0003939,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.037000Z",
"spacegroup": 5
},
{
"id": "mp-1175674",
"created_at": "2022-09-04T14:39:21.805836Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.015556 0.000000 0.000000\n-1.756784 7.596890 0.000000\n-1.670945 -1.403463 7.496243\nLi Mn Co O\n9 2 5 16\ndirect\n0.489613 0.618269 0.363241 Li\n0.006932 0.261319 0.759044 Li\n0.501471 0.861313 0.120347 Li\n0.993068 0.738681 0.240956 Li\n0.510387 0.381731 0.636759 Li\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.498529 0.138687 0.879653 Li\n0.500000 0.500000 0.000000 Li\n0.998127 0.873663 0.622377 Mn\n0.001873 0.126337 0.377623 Mn\n0.490492 0.740827 0.753638 Co\n0.006460 0.374623 0.115323 Co\n0.500000 0.000000 0.500000 Co\n0.993540 0.625377 0.884677 Co\n0.509508 0.259173 0.246362 Co\n0.763317 0.644729 0.624688 O\n0.240284 0.249674 0.013867 O\n0.758374 0.892551 0.392426 O\n0.247224 0.773942 0.506400 O\n0.766145 0.381043 0.880443 O\n0.259935 0.017826 0.275852 O\n0.252008 0.521418 0.750206 O\n0.761899 0.121857 0.147803 O\n0.233855 0.618957 0.119557 O\n0.752776 0.226058 0.493600 O\n0.238101 0.878143 0.852197 O\n0.759716 0.750326 0.986133 O\n0.236683 0.355271 0.375312 O\n0.740065 0.982174 0.724148 O\n0.747992 0.478582 0.249794 O\n0.241626 0.107449 0.607574 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.20329331069722,
"density_atomic": 0.11203440195002158,
"volume": 285.6265525858313,
"volume_molar": 5.3752603264544305,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.36921884,
"energy_per_atom": -6.51153808875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.85121884,
"band_gap": 0.3613999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9999158,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.534000Z",
"spacegroup": 2
},
{
"id": "mp-37331",
"created_at": "2022-09-04T14:39:21.837186Z",
"structure_string": "Sr2 Co2 O5\n1.0\n-3.221520 3.221520 3.605472\n3.221520 -3.221520 3.605472\n3.221520 3.221520 -3.605472\nSr Co O\n2 2 5\ndirect\n0.202168 0.202168 0.000000 Sr\n0.797832 0.797832 0.000000 Sr\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sr",
"Co",
"O"
],
"chemical_system": "Co-O-Sr",
"density": 4.139372500855403,
"density_atomic": 0.06013104164010705,
"volume": 149.67310983678442,
"volume_molar": 10.015028171378406,
"formula_full": "Sr2 Co2 O5",
"formula_reduced": "Sr2Co2O5",
"formula_anonymous": "A2B2C5",
"energy": -47.80099331,
"energy_per_atom": -5.311221478888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.08999331,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0101037,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.329000Z",
"spacegroup": 139
},
{
"id": "mp-1226572",
"created_at": "2022-09-04T14:39:21.860841Z",
"structure_string": "Ce2 Ga2 Si2\n1.0\n4.102440 0.000000 0.000000\n0.000000 4.262915 0.000000\n2.051220 2.131457 7.192863\nCe Ga Si\n2 2 2\ndirect\n0.740947 0.240947 0.518105 Ce\n0.009053 0.009053 0.981895 Ce\n0.333763 0.833763 0.332473 Ga\n0.416237 0.416237 0.167527 Ga\n0.166346 0.666346 0.667308 Si\n0.583654 0.583654 0.832692 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Ga",
"Si"
],
"chemical_system": "Ce-Ga-Si",
"density": 6.281560670094224,
"density_atomic": 0.04769804189252478,
"volume": 125.79132731526906,
"volume_molar": 12.625551324663054,
"formula_full": "Ce2 Ga2 Si2",
"formula_reduced": "CeGaSi",
"formula_anonymous": "ABC",
"energy": -32.509721289999995,
"energy_per_atom": -5.418286881666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.65172129,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.4833586,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.924000Z",
"spacegroup": 74
},
{
"id": "mp-774302",
"created_at": "2022-09-04T14:39:21.928630Z",
"structure_string": "Ti4 Mn12 O32\n1.0\n8.275509 0.000000 0.000000\n0.000000 8.275509 0.000000\n0.000000 0.000000 8.275509\nTi Mn O\n4 12 32\ndirect\n0.125000 0.875000 0.375000 Ti\n0.375000 0.125000 0.875000 Ti\n0.625000 0.625000 0.625000 Ti\n0.875000 0.375000 0.125000 Ti\n0.122282 0.127718 0.625000 Mn\n0.125000 0.377718 0.872282 Mn\n0.127718 0.625000 0.122282 Mn\n0.372282 0.375000 0.622282 Mn\n0.375000 0.622282 0.372282 Mn\n0.377718 0.872282 0.125000 Mn\n0.622282 0.372282 0.375000 Mn\n0.625000 0.122282 0.127718 Mn\n0.627718 0.875000 0.877718 Mn\n0.872282 0.125000 0.377718 Mn\n0.875000 0.877718 0.627718 Mn\n0.877718 0.627718 0.875000 Mn\n0.105971 0.113976 0.391031 O\n0.108969 0.894029 0.613976 O\n0.111520 0.611520 0.888480 O\n0.136024 0.144029 0.858969 O\n0.113976 0.391031 0.105971 O\n0.138480 0.361520 0.638480 O\n0.141031 0.636024 0.355971 O\n0.144029 0.858969 0.136024 O\n0.355971 0.141031 0.636024 O\n0.358969 0.363976 0.855971 O\n0.361520 0.638480 0.138480 O\n0.386024 0.608969 0.605971 O\n0.363976 0.855971 0.358969 O\n0.388480 0.388480 0.388480 O\n0.391031 0.105971 0.113976 O\n0.394029 0.886024 0.891031 O\n0.605971 0.386024 0.608969 O\n0.608969 0.605971 0.386024 O\n0.611520 0.888480 0.111520 O\n0.636024 0.355971 0.141031 O\n0.613976 0.108969 0.894029 O\n0.638480 0.138480 0.361520 O\n0.641031 0.863976 0.644029 O\n0.644029 0.641031 0.863976 O\n0.855971 0.358969 0.363976 O\n0.858969 0.136024 0.144029 O\n0.861520 0.861520 0.861520 O\n0.886024 0.891031 0.394029 O\n0.863976 0.644029 0.641031 O\n0.888480 0.111520 0.611520 O\n0.891031 0.394029 0.886024 O\n0.894029 0.613976 0.108969 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"O"
],
"chemical_system": "Mn-O-Ti",
"density": 3.9927021097111073,
"density_atomic": 0.08469486719964352,
"volume": 566.7403655861926,
"volume_molar": 7.110396366528983,
"formula_full": "Ti4 Mn12 O32",
"formula_reduced": "TiMn3O8",
"formula_anonymous": "AB3C8",
"energy": -402.57548527,
"energy_per_atom": -8.386989276458333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -360.57548527,
"band_gap": 1.7216,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 36.0017411,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.029000Z",
"spacegroup": 212
},
{
"id": "mp-1028277",
"created_at": "2022-09-04T14:39:21.949020Z",
"structure_string": "Hf1 Mg14 V1\n1.0\n6.341964 0.000000 0.000000\n-3.170982 5.492301 -0.000000\n-0.000000 0.000000 10.199388\nHf Mg V\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Hf\n0.167865 0.833932 0.125000 Mg\n0.173486 0.836742 0.625000 Mg\n0.666068 0.332135 0.125000 Mg\n0.663258 0.326514 0.625000 Mg\n0.666068 0.833932 0.125000 Mg\n0.663258 0.836742 0.625000 Mg\n0.328894 0.171106 0.371896 Mg\n0.328894 0.171106 0.878104 Mg\n0.328894 0.657790 0.371896 Mg\n0.328894 0.657790 0.878104 Mg\n0.842210 0.171106 0.371896 Mg\n0.842210 0.171106 0.878104 Mg\n0.833333 0.666667 0.378941 Mg\n0.833333 0.666667 0.871059 Mg\n0.166667 0.333333 0.125000 V\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"V"
],
"chemical_system": "Hf-Mg-V",
"density": 2.6628349247888456,
"density_atomic": 0.04503682505526597,
"volume": 355.2648300666387,
"volume_molar": 13.371592585867365,
"formula_full": "Hf1 Mg14 V1",
"formula_reduced": "HfMg14V",
"formula_anonymous": "ABC14",
"energy": -39.30204954,
"energy_per_atom": -2.45637809625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.30204954,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0640646,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.137000Z",
"spacegroup": 187
},
{
"id": "mp-1236388",
"created_at": "2022-09-04T14:39:21.957747Z",
"structure_string": "Li1 Al2 H4 Pb2 O4 F6\n1.0\n7.676855 -0.147310 -2.482415\n-2.516948 6.764619 0.015866\n-0.560955 -0.086411 4.790047\nLi Al H Pb O F\n1 2 4 2 4 6\ndirect\n0.445818 0.968138 0.903619 Li\n0.165298 0.681275 0.189295 Al\n0.830375 0.314083 0.805349 Al\n0.155657 0.490276 0.739376 H\n0.843120 0.505083 0.258787 H\n0.101433 0.858714 0.731355 H\n0.883384 0.134757 0.261254 H\n0.737777 0.788487 0.732298 Pb\n0.259091 0.221999 0.253489 Pb\n0.100673 0.466779 0.891339 O\n0.899765 0.530324 0.108452 O\n0.077631 0.860214 0.915905 O\n0.918332 0.138221 0.086143 O\n0.215571 0.865699 0.503212 F\n0.794681 0.129976 0.511699 F\n0.271329 0.544417 0.499774 F\n0.733541 0.456936 0.499525 F\n0.406913 0.810040 0.197471 F\n0.586694 0.188287 0.786660 F\n",
"nsites": 19,
"nelements": 6,
"elements": [
"Li",
"Al",
"H",
"Pb",
"O",
"F"
],
"chemical_system": "Al-F-H-Li-O-Pb",
"density": 4.60499243290639,
"density_atomic": 0.0801593210129431,
"volume": 237.02795582477705,
"volume_molar": 7.5127142843782595,
"formula_full": "Li1 Al2 H4 Pb2 O4 F6",
"formula_reduced": "LiAl2H4Pb2(O2F3)2",
"formula_anonymous": "AB2C2D4E4F6",
"energy": -107.96391654999998,
"energy_per_atom": -5.68231139736842,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.44391655,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0249122,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.385000Z",
"spacegroup": 1
},
{
"id": "mp-1095470",
"created_at": "2022-09-04T14:39:21.967169Z",
"structure_string": "Eu4 Zn2 Ge6\n1.0\n2.144203 -3.713868 0.000000\n2.144203 3.713868 0.000000\n0.000000 0.000000 17.720332\nEu Zn Ge\n4 2 6\ndirect\n0.000000 0.000000 0.371365 Eu\n0.000000 0.000000 0.628635 Eu\n0.000000 0.000000 0.871365 Eu\n0.000000 0.000000 0.128635 Eu\n0.333333 0.666667 0.250000 Zn\n0.666667 0.333333 0.750000 Zn\n0.333333 0.666667 0.750000 Ge\n0.666667 0.333333 0.250000 Ge\n0.333333 0.666667 0.475071 Ge\n0.666667 0.333333 0.524929 Ge\n0.666667 0.333333 0.975071 Ge\n0.333333 0.666667 0.024929 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Eu",
"Zn",
"Ge"
],
"chemical_system": "Eu-Ge-Zn",
"density": 6.9105574567693235,
"density_atomic": 0.042519390742840904,
"volume": 282.22417561381616,
"volume_molar": 14.163280928511336,
"formula_full": "Eu4 Zn2 Ge6",
"formula_reduced": "Eu2ZnGe3",
"formula_anonymous": "AB2C3",
"energy": -78.19287908,
"energy_per_atom": -6.516073256666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.19287908,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.9326828,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.363000Z",
"spacegroup": 194
},
{
"id": "mp-1224388",
"created_at": "2022-09-04T14:39:21.986372Z",
"structure_string": "Hf3 N2\n1.0\n7.842849 -1.609602 0.000000\n7.842849 1.609602 0.000000\n7.512508 0.000000 2.768272\nHf N\n3 2\ndirect\n0.779105 0.779105 0.779105 Hf\n0.220895 0.220895 0.220895 Hf\n0.000000 0.000000 0.000000 Hf\n0.611582 0.611582 0.611582 N\n0.388418 0.388418 0.388418 N\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Hf",
"N"
],
"chemical_system": "Hf-N",
"density": 13.387488527463887,
"density_atomic": 0.07153834555120316,
"volume": 69.89258643703577,
"volume_molar": 8.418059872085927,
"formula_full": "Hf3 N2",
"formula_reduced": "Hf3N2",
"formula_anonymous": "A2B3",
"energy": -54.61731002,
"energy_per_atom": -10.923462004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.89531002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.12e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.570000Z",
"spacegroup": 166
},
{
"id": "mp-1079228",
"created_at": "2022-09-04T14:39:22.007719Z",
"structure_string": "Ga4 Bi1 As3\n1.0\n5.940395 0.000000 0.000000\n0.000000 5.940395 0.000000\n0.000000 0.000000 5.940395\nGa Bi As\n4 1 3\ndirect\n0.260721 0.260721 0.260721 Ga\n0.260721 0.739279 0.739279 Ga\n0.739279 0.260721 0.739279 Ga\n0.739279 0.739279 0.260721 Ga\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.000000 As\n0.500000 0.000000 0.500000 As\n0.000000 0.500000 0.500000 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ga",
"Bi",
"As"
],
"chemical_system": "As-Bi-Ga",
"density": 5.645099677662599,
"density_atomic": 0.03816313251664432,
"volume": 209.62639784642707,
"volume_molar": 15.779995935536808,
"formula_full": "Ga4 Bi1 As3",
"formula_reduced": "Ga4BiAs3",
"formula_anonymous": "AB3C4",
"energy": -31.61540868,
"energy_per_atom": -3.951926085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.61540868,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017628,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.587000Z",
"spacegroup": 215
},
{
"id": "mp-1213099",
"created_at": "2022-09-04T14:39:21.807398Z",
"structure_string": "Er4 Mn8 O12\n1.0\n5.978324 0.000000 0.000000\n0.000000 6.439700 0.000000\n0.000000 0.000000 9.210688\nEr Mn O\n4 8 12\ndirect\n0.500000 0.391585 0.330792 Er\n0.500000 0.608415 0.669208 Er\n0.500000 0.108415 0.830792 Er\n0.500000 0.891585 0.169208 Er\n0.236363 0.000000 0.500000 Mn\n0.763637 0.000000 0.500000 Mn\n0.763637 0.500000 0.000000 Mn\n0.236363 0.500000 0.000000 Mn\n0.000000 0.099429 0.151208 Mn\n0.000000 0.900571 0.848792 Mn\n0.000000 0.400571 0.651208 Mn\n0.000000 0.599429 0.348792 Mn\n0.269433 0.104168 0.302296 O\n0.730567 0.895832 0.697704 O\n0.269433 0.895832 0.697704 O\n0.730567 0.395832 0.802296 O\n0.730567 0.104168 0.302296 O\n0.269433 0.604168 0.197704 O\n0.730567 0.604168 0.197704 O\n0.269433 0.395832 0.802296 O\n0.258341 0.000000 0.000000 O\n0.741659 0.000000 0.000000 O\n0.741659 0.500000 0.500000 O\n0.258341 0.500000 0.500000 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Er",
"Mn",
"O"
],
"chemical_system": "Er-Mn-O",
"density": 6.090225480969925,
"density_atomic": 0.06768214067384014,
"volume": 354.5987133541752,
"volume_molar": 8.897680688057227,
"formula_full": "Er4 Mn8 O12",
"formula_reduced": "ErMn2O3",
"formula_anonymous": "AB2C3",
"energy": -207.88718421,
"energy_per_atom": -8.66196600875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -186.29918421,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 36.0328294,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.724000Z",
"spacegroup": 55
}
]
}