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=-formation_energy_per_atom&page=12158",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy_per_atom&page=12156",
"results": [
{
"id": "mp-1194337",
"created_at": "2022-09-04T14:47:38.134432Z",
"structure_string": "Sr4 Lu8 Se16\n1.0\n4.089803 0.000000 0.000000\n0.000000 12.530582 0.000000\n0.000000 0.000000 14.777105\nSr Lu Se\n4 8 16\ndirect\n0.250000 0.759976 0.333788 Sr\n0.250000 0.259976 0.166212 Sr\n0.750000 0.240024 0.666212 Sr\n0.750000 0.740024 0.833788 Sr\n0.250000 0.439255 0.389199 Lu\n0.250000 0.939255 0.110801 Lu\n0.750000 0.560745 0.610801 Lu\n0.750000 0.060745 0.889199 Lu\n0.250000 0.417201 0.902649 Lu\n0.250000 0.917201 0.597351 Lu\n0.750000 0.582799 0.097351 Lu\n0.750000 0.082799 0.402649 Lu\n0.250000 0.204698 0.831575 Se\n0.250000 0.704698 0.668425 Se\n0.750000 0.795302 0.168425 Se\n0.750000 0.295302 0.331575 Se\n0.250000 0.128033 0.530393 Se\n0.250000 0.628033 0.969607 Se\n0.750000 0.871967 0.469607 Se\n0.750000 0.371967 0.030393 Se\n0.250000 0.028212 0.284569 Se\n0.250000 0.528212 0.215431 Se\n0.750000 0.971788 0.715431 Se\n0.750000 0.471788 0.784569 Se\n0.250000 0.409344 0.576461 Se\n0.250000 0.909344 0.923539 Se\n0.750000 0.590656 0.423539 Se\n0.750000 0.090656 0.076461 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sr",
"Lu",
"Se"
],
"chemical_system": "Lu-Se-Sr",
"density": 6.607972922299021,
"density_atomic": 0.03697388108091341,
"volume": 757.2913413856927,
"volume_molar": 16.287553764835195,
"formula_full": "Sr4 Lu8 Se16",
"formula_reduced": "Sr(LuSe2)2",
"formula_anonymous": "AB2C4",
"energy": -160.42444471,
"energy_per_atom": -5.729444453928571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -152.87244471,
"band_gap": 1.431,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001192,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:11.845000Z",
"spacegroup": 62
},
{
"id": "mp-1206370",
"created_at": "2022-09-04T14:47:38.312489Z",
"structure_string": "Mg2 Sb3\n1.0\n2.347681 -4.066303 0.000000\n2.347681 4.066303 0.000000\n0.000000 0.000000 7.490325\nMg Sb\n2 3\ndirect\n0.333333 0.666667 0.164833 Mg\n0.666667 0.333333 0.835167 Mg\n0.333333 0.666667 0.580275 Sb\n0.666667 0.333333 0.419725 Sb\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 4.805787366516548,
"density_atomic": 0.034962342643931714,
"volume": 143.01101190276881,
"volume_molar": 17.224648878170186,
"formula_full": "Mg2 Sb3",
"formula_reduced": "Mg2Sb3",
"formula_anonymous": "A2B3",
"energy": -16.6950933,
"energy_per_atom": -3.33901866,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.1190933,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037635,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.074000Z",
"spacegroup": 164
},
{
"id": "mp-767440",
"created_at": "2022-09-04T14:47:38.319477Z",
"structure_string": "Li4 Mn2 Fe4 P6 O24\n1.0\n4.477145 7.309477 0.000000\n-4.477145 7.309477 0.000000\n0.000000 4.444865 7.215516\nLi Mn Fe P O\n4 2 4 6 24\ndirect\n0.856555 0.143446 0.000000 Li\n0.158182 0.841818 0.500000 Li\n0.753169 0.656807 0.093649 Li\n0.343193 0.246831 0.906351 Li\n0.003135 0.507592 0.740770 Mn\n0.492408 0.996865 0.259230 Mn\n0.852452 0.355848 0.603484 Fe\n0.644152 0.147548 0.396516 Fe\n0.345611 0.842634 0.097614 Fe\n0.157366 0.654389 0.902386 Fe\n0.252047 0.059352 0.689393 P\n0.940648 0.747953 0.310607 P\n0.558448 0.441552 0.000000 P\n0.458696 0.541304 0.500000 P\n0.039215 0.247525 0.199861 P\n0.752475 0.960785 0.800139 P\n0.689254 0.020306 0.633930 O\n0.503150 0.390594 0.423548 O\n0.087409 0.244483 0.683529 O\n0.891910 0.180712 0.216409 O\n0.195061 0.902894 0.713047 O\n0.408113 0.081198 0.500198 O\n0.918802 0.591887 0.499802 O\n0.755517 0.912591 0.316471 O\n0.609406 0.496850 0.576452 O\n0.583076 0.246597 0.151272 O\n0.263467 0.561285 0.649700 O\n0.979694 0.310746 0.366070 O\n0.969783 0.687372 0.150680 O\n0.753403 0.416924 0.848728 O\n0.438715 0.736533 0.350300 O\n0.402437 0.467467 0.939686 O\n0.232942 0.095015 0.190916 O\n0.067256 0.400686 0.008125 O\n0.599314 0.932744 0.991875 O\n0.819288 0.108090 0.783591 O\n0.097106 0.804939 0.286953 O\n0.904985 0.767058 0.809084 O\n0.532533 0.597563 0.060314 O\n0.312628 0.030217 0.849320 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-Mn-O-P",
"density": 3.272978376622769,
"density_atomic": 0.08469838662177179,
"volume": 472.2640134649031,
"volume_molar": 7.110100912420454,
"formula_full": "Li4 Mn2 Fe4 P6 O24",
"formula_reduced": "Li2MnFe2(PO4)3",
"formula_anonymous": "AB2C2D3E12",
"energy": -308.44239775,
"energy_per_atom": -7.71105994375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -279.59439775,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 28.0000097,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.082000Z",
"spacegroup": 5
},
{
"id": "mp-972949",
"created_at": "2022-09-04T14:47:38.359935Z",
"structure_string": "La1 Sm1 Zn2\n1.0\n0.000000 3.705424 3.705424\n3.705424 0.000000 3.705424\n3.705424 3.705424 0.000000\nLa Sm Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Sm\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Sm",
"Zn"
],
"chemical_system": "La-Sm-Zn",
"density": 6.855528871184791,
"density_atomic": 0.039311196758859294,
"volume": 101.75218079817292,
"volume_molar": 15.319148885089161,
"formula_full": "La1 Sm1 Zn2",
"formula_reduced": "LaSmZn2",
"formula_anonymous": "ABC2",
"energy": -13.43678353,
"energy_per_atom": -3.3591958825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.43678353,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014579,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.563000Z",
"spacegroup": 225
},
{
"id": "mp-1303812",
"created_at": "2022-09-04T14:47:38.459408Z",
"structure_string": "Li4 V6 Sn2 O16\n1.0\n-3.037599 5.261232 -0.004443\n-2.998098 -1.739758 9.928716\n2.989525 5.233366 -0.000020\nLi V Sn O\n4 6 2 16\ndirect\n0.311106 0.553546 0.366404 Li\n0.821065 0.053839 0.369121 Li\n0.756958 0.753255 0.497445 Li\n0.246046 0.253058 0.495751 Li\n0.760616 0.750411 0.004371 V\n0.252622 0.250812 0.008063 V\n0.987901 0.516252 0.014408 V\n0.237059 0.749665 0.009782 V\n0.735478 0.250570 0.003278 V\n0.496066 0.015427 0.018870 V\n0.180784 0.943934 0.649644 Sn\n0.672582 0.444042 0.645504 Sn\n0.115265 0.624013 0.774994 O\n0.607493 0.124758 0.779627 O\n0.384989 0.877072 0.237419 O\n0.878887 0.377086 0.233322 O\n0.891544 0.856030 0.217450 O\n0.391512 0.355220 0.215129 O\n0.127333 0.617756 0.209021 O\n0.624940 0.115038 0.210893 O\n0.666048 0.615250 0.209852 O\n0.165454 0.117646 0.206076 O\n0.847900 0.873521 0.768916 O\n0.337428 0.375236 0.769651 O\n0.391573 0.874028 0.772649 O\n0.884900 0.374258 0.766240 O\n0.615528 0.643985 0.773313 O\n0.110926 0.144288 0.772808 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"Sn",
"O"
],
"chemical_system": "Li-O-Sn-V",
"density": 4.371879250601583,
"density_atomic": 0.08915882433593982,
"volume": 314.04631239303177,
"volume_molar": 6.754396779963464,
"formula_full": "Li4 V6 Sn2 O16",
"formula_reduced": "Li2V3SnO8",
"formula_anonymous": "AB2C3D8",
"energy": -215.70525082,
"energy_per_atom": -7.703758957857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -194.51325082,
"band_gap": 1.0460999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0038608,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.005000Z",
"spacegroup": 9
},
{
"id": "mp-776896",
"created_at": "2022-09-04T14:47:38.665125Z",
"structure_string": "Nb8 O20\n1.0\n5.343306 0.000000 0.000000\n0.000000 9.701884 0.000000\n0.000000 0.000000 9.978518\nNb O\n8 20\ndirect\n0.886545 0.030666 0.716788 Nb\n0.618840 0.345401 0.597885 Nb\n0.118840 0.154599 0.402115 Nb\n0.386545 0.469334 0.283212 Nb\n0.613455 0.969334 0.216788 Nb\n0.881160 0.654599 0.097885 Nb\n0.381160 0.845401 0.902115 Nb\n0.113455 0.530666 0.783212 Nb\n0.772683 0.213712 0.732903 O\n0.636248 0.904144 0.761993 O\n0.834629 0.501987 0.674828 O\n0.392373 0.205298 0.527621 O\n0.974613 0.017791 0.534246 O\n0.474613 0.482209 0.465754 O\n0.892373 0.294702 0.472379 O\n0.334629 0.998013 0.325172 O\n0.136248 0.595856 0.238007 O\n0.272683 0.286288 0.267097 O\n0.727317 0.786288 0.232903 O\n0.863752 0.095856 0.261993 O\n0.665371 0.498013 0.174828 O\n0.107627 0.794702 0.027621 O\n0.525387 0.982209 0.034246 O\n0.025387 0.517791 0.965754 O\n0.607627 0.705298 0.972379 O\n0.165371 0.001987 0.825172 O\n0.363752 0.404144 0.738007 O\n0.227317 0.713712 0.767097 O\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Nb",
"O"
],
"chemical_system": "Nb-O",
"density": 3.413090808912234,
"density_atomic": 0.05412848384319808,
"volume": 517.2877201052169,
"volume_molar": 11.12564094247535,
"formula_full": "Nb8 O20",
"formula_reduced": "Nb2O5",
"formula_anonymous": "A2B5",
"energy": -263.06921099,
"energy_per_atom": -9.395328963928572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -249.32921099,
"band_gap": 2.4469,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0012702,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.262000Z",
"spacegroup": 19
},
{
"id": "mp-777538",
"created_at": "2022-09-04T14:47:38.208627Z",
"structure_string": "Fe10 O6 F14\n1.0\n3.455626 3.363100 0.000000\n-3.455626 3.363100 0.000000\n0.000000 0.008144 15.709240\nFe O F\n10 6 14\ndirect\n0.968984 0.991259 0.192983 Fe\n0.980102 0.978604 0.399150 Fe\n0.021396 0.019898 0.600850 Fe\n0.008741 0.031016 0.807017 Fe\n0.974264 0.025736 0.000000 Fe\n0.520236 0.527675 0.301469 Fe\n0.472325 0.479764 0.698531 Fe\n0.500501 0.499499 0.500000 Fe\n0.509053 0.477070 0.894744 Fe\n0.522930 0.490947 0.105256 Fe\n0.814605 0.181927 0.900390 O\n0.818073 0.185395 0.099610 O\n0.322223 0.324038 0.596790 O\n0.303200 0.302639 0.793289 O\n0.697361 0.696800 0.206711 O\n0.675962 0.677777 0.403210 O\n0.795502 0.197131 0.296506 F\n0.796964 0.203036 0.500000 F\n0.802869 0.204498 0.703494 F\n0.293229 0.291330 0.210825 F\n0.297321 0.298296 0.399461 F\n0.306351 0.297148 0.002062 F\n0.701704 0.702679 0.600539 F\n0.708670 0.706771 0.789175 F\n0.702852 0.693649 0.997938 F\n0.193768 0.799076 0.295150 F\n0.200924 0.806232 0.704850 F\n0.203817 0.796183 0.500000 F\n0.190271 0.804199 0.098312 F\n0.195801 0.809729 0.901688 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.185866454773789,
"density_atomic": 0.0821617290780317,
"volume": 365.1335035988351,
"volume_molar": 7.329617849547172,
"formula_full": "Fe10 O6 F14",
"formula_reduced": "Fe5O3F7",
"formula_anonymous": "A3B5C7",
"energy": -208.07218676,
"energy_per_atom": -6.935739558666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.92218676,
"band_gap": 0.8980000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 45.9998945,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.207000Z",
"spacegroup": 5
},
{
"id": "mp-759159",
"created_at": "2022-09-04T14:47:38.317675Z",
"structure_string": "Li5 Fe8 B8 O24\n1.0\n5.244957 0.000000 0.000000\n0.078241 9.067790 0.000000\n0.073456 0.175529 10.219214\nLi Fe B O\n5 8 8 24\ndirect\n0.153875 0.171884 0.661437 Li\n0.188919 0.162372 0.167065 Li\n0.336793 0.322736 0.906093 Li\n0.683241 0.665586 0.150637 Li\n0.825017 0.828895 0.410690 Li\n0.175242 0.827010 0.634442 Fe\n0.183685 0.498304 0.133425 Fe\n0.322518 0.989174 0.885097 Fe\n0.333852 0.648926 0.381535 Fe\n0.649380 0.353678 0.624346 Fe\n0.686292 0.997080 0.118900 Fe\n0.816779 0.172097 0.380524 Fe\n0.831199 0.505915 0.875665 Fe\n0.151236 0.498524 0.635381 B\n0.176309 0.833232 0.132986 B\n0.322393 0.995367 0.382925 B\n0.332958 0.658702 0.875752 B\n0.672116 0.002729 0.622210 B\n0.669714 0.331958 0.124669 B\n0.840478 0.500580 0.371366 B\n0.828029 0.172768 0.876575 B\n0.091716 0.492221 0.331823 O\n0.090379 0.167811 0.860531 O\n0.207315 0.782965 0.825560 O\n0.218675 0.863687 0.430259 O\n0.168345 0.115516 0.357273 O\n0.190707 0.534750 0.916100 O\n0.277127 0.365811 0.636058 O\n0.295605 0.965436 0.094917 O\n0.268721 0.626578 0.588197 O\n0.323410 0.708526 0.162212 O\n0.409661 0.319980 0.107782 O\n0.413185 0.999609 0.657881 O\n0.585391 0.003251 0.355583 O\n0.590099 0.657157 0.888840 O\n0.695656 0.306531 0.848544 O\n0.720326 0.372109 0.418647 O\n0.709316 0.632605 0.364917 O\n0.689524 0.053516 0.918683 O\n0.798076 0.459890 0.085564 O\n0.818273 0.876391 0.616519 O\n0.786253 0.138100 0.585716 O\n0.808460 0.211542 0.178262 O\n0.915254 0.826858 0.142282 O\n0.902022 0.508849 0.682091 O\n",
"nsites": 45,
"nelements": 4,
"elements": [
"Li",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-O",
"density": 3.25234909639081,
"density_atomic": 0.09258734575582672,
"volume": 486.02754115745944,
"volume_molar": 6.504280591304253,
"formula_full": "Li5 Fe8 B8 O24",
"formula_reduced": "Li5Fe8(BO3)8",
"formula_anonymous": "A5B8C8D24",
"energy": -352.31185361,
"energy_per_atom": -7.829152302444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -317.77585361,
"band_gap": 1.2956,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 35.0124792,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.061000Z",
"spacegroup": 1
},
{
"id": "mp-11463",
"created_at": "2022-09-04T14:47:38.319134Z",
"structure_string": "La1 Hg2\n1.0\n2.556646 -4.428241 0.000000\n2.556646 4.428241 0.000000\n0.000000 0.000000 3.596537\nLa Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.666667 0.333333 0.500000 Hg\n0.333333 0.666667 0.500000 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"La",
"Hg"
],
"chemical_system": "Hg-La",
"density": 11.012735675810227,
"density_atomic": 0.03683874947533125,
"volume": 81.43598908016473,
"volume_molar": 16.347299639019166,
"formula_full": "La1 Hg2",
"formula_reduced": "LaHg2",
"formula_anonymous": "AB2",
"energy": -6.987509449999999,
"energy_per_atom": -2.3291698166666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.987509449999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1994682,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:14.504000Z",
"spacegroup": 191
},
{
"id": "mp-13871",
"created_at": "2022-09-04T14:47:38.359392Z",
"structure_string": "P4 Pt10\n1.0\n2.724624 5.481664 0.000000\n-2.724624 5.481664 0.000000\n0.000000 1.239522 7.423768\nP Pt\n4 10\ndirect\n0.753290 0.564581 0.224436 P\n0.435419 0.246710 0.275564 P\n0.246710 0.435419 0.775564 P\n0.564581 0.753290 0.724436 P\n0.607388 0.155170 0.967409 Pt\n0.844830 0.392612 0.532591 Pt\n0.629583 0.081441 0.594822 Pt\n0.918559 0.370417 0.905178 Pt\n0.370417 0.918559 0.405178 Pt\n0.081441 0.629583 0.094822 Pt\n0.155170 0.607388 0.467409 Pt\n0.392612 0.844830 0.032591 Pt\n0.111541 0.888459 0.750000 Pt\n0.888459 0.111541 0.250000 Pt\n",
"nsites": 14,
"nelements": 2,
"elements": [
"P",
"Pt"
],
"chemical_system": "P-Pt",
"density": 15.535969655398434,
"density_atomic": 0.06313274300860149,
"volume": 221.75497741469238,
"volume_molar": 9.538854915870703,
"formula_full": "P4 Pt10",
"formula_reduced": "P2Pt5",
"formula_anonymous": "A2B5",
"energy": -87.64293724,
"energy_per_atom": -6.260209802857142,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.64293724,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.02e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:15.472000Z",
"spacegroup": 15
},
{
"id": "mp-1214009",
"created_at": "2022-09-04T14:47:38.457694Z",
"structure_string": "Ca8 Mg2 Sn6\n1.0\n-6.185573 6.185573 3.025802\n6.185573 -6.185573 3.025802\n6.185573 6.185573 -3.025802\nCa Mg Sn\n8 2 6\ndirect\n0.082774 0.217152 0.299926 Ca\n0.917226 0.782848 0.700074 Ca\n0.782848 0.082774 0.865622 Ca\n0.417226 0.717152 0.134378 Ca\n0.217152 0.917226 0.134378 Ca\n0.582774 0.282848 0.865622 Ca\n0.717152 0.582774 0.299926 Ca\n0.282848 0.417226 0.700074 Ca\n0.250000 0.750000 0.500000 Mg\n0.750000 0.250000 0.500000 Mg\n0.152954 0.652954 0.805907 Sn\n0.847046 0.347046 0.194093 Sn\n0.347046 0.152954 0.500000 Sn\n0.652954 0.847046 0.500000 Sn\n0.250000 0.250000 0.000000 Sn\n0.750000 0.750000 0.000000 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Sn"
],
"chemical_system": "Ca-Mg-Sn",
"density": 3.878044976347551,
"density_atomic": 0.03455091971549949,
"volume": 463.0846336869702,
"volume_molar": 17.42975529909983,
"formula_full": "Ca8 Mg2 Sn6",
"formula_reduced": "Ca4MgSn3",
"formula_anonymous": "AB3C4",
"energy": -52.93906424,
"energy_per_atom": -3.308691515,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.93906424,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.1429896,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.870000Z",
"spacegroup": 140
},
{
"id": "mp-1188728",
"created_at": "2022-09-04T14:47:38.488317Z",
"structure_string": "Cd6 I12\n1.0\n-2.169764 -3.758142 0.000000\n2.169764 -3.758142 0.000000\n0.000000 -2.505428 44.127219\nCd I\n6 12\ndirect\n0.930560 0.930560 0.208320 Cd\n0.763895 0.763895 0.708314 Cd\n0.374994 0.374994 0.875019 Cd\n0.319455 0.319455 0.041635 Cd\n0.208329 0.208329 0.375012 Cd\n0.152781 0.152781 0.541657 Cd\n0.999130 0.999130 0.002610 I\n0.888005 0.888005 0.335986 I\n0.832466 0.832466 0.502603 I\n0.695308 0.695308 0.914077 I\n0.639760 0.639760 0.080720 I\n0.584208 0.584208 0.247377 I\n0.528636 0.528636 0.414091 I\n0.473097 0.473097 0.580709 I\n0.417541 0.417541 0.747378 I\n0.276911 0.276911 0.169268 I\n0.110253 0.110253 0.669240 I\n0.054672 0.054672 0.835983 I\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.070141690015633,
"density_atomic": 0.025012106337767966,
"volume": 719.6515062316134,
"volume_molar": 24.07690371484885,
"formula_full": "Cd6 I12",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy": -38.78371725,
"energy_per_atom": -2.1546509583333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.23571725,
"band_gap": 2.3874,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.2e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:12.812000Z",
"spacegroup": 160
}
]
}