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=volume_molar&page=10198",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume_molar&page=10196",
"results": [
{
"id": "mp-1023076",
"created_at": "2022-09-04T14:46:51.847182Z",
"structure_string": "Rb2 Mg12 Mn2\n1.0\n5.047298 0.000000 0.000000\n0.000000 6.619425 0.000000\n0.000000 0.000000 12.113575\nRb Mg Mn\n2 12 2\ndirect\n0.500000 0.500000 0.171005 Rb\n0.500000 0.000000 0.671005 Rb\n0.000000 0.780546 0.060728 Mg\n0.000000 0.219454 0.060728 Mg\n0.000000 0.000000 0.333843 Mg\n0.500000 0.275999 0.411551 Mg\n0.500000 0.724001 0.411551 Mg\n0.500000 0.000000 0.174517 Mg\n0.000000 0.280546 0.560728 Mg\n0.000000 0.719454 0.560728 Mg\n0.000000 0.500000 0.833843 Mg\n0.500000 0.775999 0.911551 Mg\n0.500000 0.224001 0.911551 Mg\n0.500000 0.500000 0.674517 Mg\n0.000000 0.500000 0.376076 Mn\n0.000000 0.000000 0.876076 Mn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn-Rb",
"density": 2.3488299009366385,
"density_atomic": 0.03953378875975648,
"volume": 404.71709142856656,
"volume_molar": 15.23289557850386,
"formula_full": "Rb2 Mg12 Mn2",
"formula_reduced": "RbMg6Mn",
"formula_anonymous": "ABC6",
"energy": -33.11501758,
"energy_per_atom": -2.06968859875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.11501758,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.340394,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.951000Z",
"spacegroup": 38
},
{
"id": "mp-1197179",
"created_at": "2022-09-04T14:48:29.016341Z",
"structure_string": "Er22 In12 Ge8\n1.0\n-5.724384 5.724384 8.105395\n5.724384 -5.724384 8.105395\n5.724384 5.724384 -8.105395\nEr In Ge\n22 12 8\ndirect\n0.685301 0.935034 0.249734 Er\n0.685301 0.435567 0.750266 Er\n0.935034 0.685301 0.249734 Er\n0.435567 0.685301 0.750266 Er\n0.314699 0.064966 0.750266 Er\n0.314699 0.564433 0.249734 Er\n0.064966 0.314699 0.750266 Er\n0.564433 0.314699 0.249734 Er\n0.898158 0.243749 0.345591 Er\n0.898158 0.552566 0.654409 Er\n0.243749 0.898158 0.345591 Er\n0.552566 0.898158 0.654409 Er\n0.101842 0.756251 0.654409 Er\n0.101842 0.447434 0.345591 Er\n0.756251 0.101842 0.654409 Er\n0.447434 0.101842 0.345591 Er\n0.330725 0.330725 0.661449 Er\n0.669275 0.669275 0.338551 Er\n0.330725 0.669275 0.000000 Er\n0.669275 0.330725 0.000000 Er\n0.831318 0.831318 0.000000 Er\n0.168682 0.168682 0.000000 Er\n0.034479 0.034479 0.411286 In\n0.623193 0.623193 0.588714 In\n0.034479 0.623193 0.000000 In\n0.623193 0.034479 0.000000 In\n0.965521 0.965521 0.588714 In\n0.376807 0.376807 0.411286 In\n0.965521 0.376807 0.000000 In\n0.376807 0.965521 0.000000 In\n0.128852 0.128852 0.257703 In\n0.871148 0.871148 0.742297 In\n0.128852 0.871148 0.000000 In\n0.871148 0.128852 0.000000 In\n0.152452 0.500000 0.652452 Ge\n0.847548 0.500000 0.347548 Ge\n0.500000 0.847548 0.347548 Ge\n0.500000 0.152452 0.652452 Ge\n0.616495 0.616495 0.000000 Ge\n0.383505 0.383505 0.000000 Ge\n0.750000 0.250000 0.500000 Ge\n0.250000 0.750000 0.500000 Ge\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Er",
"In",
"Ge"
],
"chemical_system": "Er-Ge-In",
"density": 8.813152992907462,
"density_atomic": 0.03953280193401276,
"volume": 1062.4088844020068,
"volume_molar": 15.23327582510346,
"formula_full": "Er22 In12 Ge8",
"formula_reduced": "Er11(In3Ge2)2",
"formula_anonymous": "A4B6C11",
"energy": -197.49978886,
"energy_per_atom": -4.702375925238095,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -197.49978886,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9077477,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:25.636000Z",
"spacegroup": 139
},
{
"id": "mp-1100809",
"created_at": "2022-09-04T14:42:01.885995Z",
"structure_string": "Zr3 Cu6 Cl18\n1.0\n11.624485 0.086094 -0.052115\n-5.738287 9.529007 -0.055185\n-0.037496 -0.042715 6.138903\nZr Cu Cl\n3 6 18\ndirect\n0.335662 0.670193 0.033850 Zr\n0.000139 0.997589 0.490840 Zr\n0.656443 0.325095 0.974453 Zr\n0.417476 0.837297 0.627875 Cu\n0.102055 0.206711 0.889504 Cu\n0.238013 0.473532 0.409896 Cu\n0.767136 0.534064 0.586489 Cu\n0.900451 0.800558 0.110370 Cu\n0.768165 0.231731 0.573151 Cu\n0.105618 0.894347 0.268420 Cl\n0.226154 0.769826 0.799088 Cl\n0.123547 0.561798 0.247362 Cl\n0.107210 0.218041 0.267013 Cl\n0.223641 0.447308 0.783027 Cl\n0.440972 0.882776 0.267928 Cl\n0.203348 0.101274 0.730860 Cl\n0.437683 0.557859 0.253281 Cl\n0.540874 0.765679 0.804156 Cl\n0.466185 0.230655 0.198931 Cl\n0.565615 0.440653 0.741726 Cl\n0.789380 0.895011 0.268102 Cl\n0.561370 0.115040 0.726704 Cl\n0.779040 0.553540 0.212438 Cl\n0.890232 0.781787 0.731075 Cl\n0.884898 0.444734 0.754098 Cl\n0.771762 0.229424 0.204705 Cl\n0.893229 0.109778 0.719259 Cl\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Zr",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-Zr",
"density": 3.1439408948587486,
"density_atomic": 0.03953267991585908,
"volume": 682.9792479909407,
"volume_molar": 15.233322842816268,
"formula_full": "Zr3 Cu6 Cl18",
"formula_reduced": "Zr(CuCl3)2",
"formula_anonymous": "AB2C6",
"energy": -126.33487396,
"energy_per_atom": -4.679069405925926,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -115.28287396,
"band_gap": 1.6303999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009235,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.200000Z",
"spacegroup": 1
},
{
"id": "mp-1221385",
"created_at": "2022-09-04T14:43:52.741055Z",
"structure_string": "Na2 Br1 Cl1\n1.0\n6.885434 -2.075568 0.000000\n6.885434 2.075568 0.000000\n6.259768 0.000000 3.540125\nNa Br Cl\n2 1 1\ndirect\n0.253582 0.253582 0.253582 Na\n0.746418 0.746418 0.746418 Na\n0.500000 0.500000 0.500000 Br\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Na",
"density": 2.647676700771717,
"density_atomic": 0.039531483511033916,
"volume": 101.1851730503241,
"volume_molar": 15.233783873350257,
"formula_full": "Na2 Br1 Cl1",
"formula_reduced": "Na2BrCl",
"formula_anonymous": "ABC2",
"energy": -14.0160479,
"energy_per_atom": -3.504011975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.8680479,
"band_gap": 4.223,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0009851,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.672000Z",
"spacegroup": 166
},
{
"id": "mp-510687",
"created_at": "2022-09-04T14:39:34.461718Z",
"structure_string": "Dy2 Ag2 Pb2\n1.0\n2.414058 -4.181272 0.000000\n2.414058 4.181272 0.000000\n0.000000 0.000000 7.518364\nDy Ag Pb\n2 2 2\ndirect\n0.000000 0.000000 0.002307 Dy\n0.000000 0.000000 0.502307 Dy\n0.333333 0.666667 0.822196 Ag\n0.666667 0.333333 0.322196 Ag\n0.333333 0.666667 0.226997 Pb\n0.666667 0.333333 0.726997 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Dy",
"Ag",
"Pb"
],
"chemical_system": "Ag-Dy-Pb",
"density": 10.449729041682494,
"density_atomic": 0.039531362775799814,
"volume": 151.77822312953657,
"volume_molar": 15.233830399812614,
"formula_full": "Dy2 Ag2 Pb2",
"formula_reduced": "DyAgPb",
"formula_anonymous": "ABC",
"energy": -24.72310811,
"energy_per_atom": -4.120518018333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.72310811,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.531000Z",
"spacegroup": 186
},
{
"id": "mp-621132",
"created_at": "2022-09-04T14:41:58.901161Z",
"structure_string": "Pr3 In3 Au3\n1.0\n3.916045 -6.782789 0.000000\n3.916045 6.782789 0.000000\n0.000000 0.000000 4.285816\nPr In Au\n3 3 3\ndirect\n0.000000 0.586072 0.500000 Pr\n0.586072 0.000000 0.500000 Pr\n0.413928 0.413928 0.500000 Pr\n0.000000 0.249047 0.000000 In\n0.249047 0.000000 0.000000 In\n0.750953 0.750953 0.000000 In\n0.000000 0.000000 0.500000 Au\n0.666667 0.333333 0.000000 Au\n0.333333 0.666667 0.000000 Au\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Pr",
"In",
"Au"
],
"chemical_system": "Au-In-Pr",
"density": 9.904986400024725,
"density_atomic": 0.03952965382034636,
"volume": 227.67717726299944,
"volume_molar": 15.234488992413937,
"formula_full": "Pr3 In3 Au3",
"formula_reduced": "PrInAu",
"formula_anonymous": "ABC",
"energy": -38.91912945,
"energy_per_atom": -4.324347716666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.91912945,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0082558,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:38.631000Z",
"spacegroup": 189
},
{
"id": "mp-1181074",
"created_at": "2022-09-04T14:40:56.700205Z",
"structure_string": "Hg4 N4 Cl12 O4\n1.0\n3.244938 0.000000 0.000000\n0.000000 8.624348 0.000000\n0.000000 0.000000 21.695118\nHg N Cl O\n4 4 12 4\ndirect\n0.250000 0.035164 0.085160 Hg\n0.250000 0.535164 0.414840 Hg\n0.750000 0.964836 0.914840 Hg\n0.750000 0.464836 0.585160 Hg\n0.750000 0.517524 0.128725 N\n0.750000 0.017524 0.371275 N\n0.250000 0.482476 0.871275 N\n0.250000 0.982476 0.628725 N\n0.250000 0.944208 0.184952 Cl\n0.250000 0.444208 0.315048 Cl\n0.750000 0.055792 0.815048 Cl\n0.750000 0.555792 0.684952 Cl\n0.750000 0.350024 0.167402 Cl\n0.750000 0.850024 0.332598 Cl\n0.250000 0.649976 0.832598 Cl\n0.250000 0.149976 0.667402 Cl\n0.250000 0.193726 0.996640 Cl\n0.250000 0.693726 0.503360 Cl\n0.750000 0.806274 0.003360 Cl\n0.750000 0.306274 0.496640 Cl\n0.250000 0.564845 0.117736 O\n0.250000 0.064845 0.382264 O\n0.750000 0.435155 0.882264 O\n0.750000 0.935155 0.617736 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Hg",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-Hg-N-O",
"density": 3.6862639628221108,
"density_atomic": 0.03952906568911121,
"volume": 607.1481726574456,
"volume_molar": 15.234715657999669,
"formula_full": "Hg4 N4 Cl12 O4",
"formula_reduced": "HgNCl3O",
"formula_anonymous": "ABCD3",
"energy": -77.21009853,
"energy_per_atom": -3.2170874387499997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.09409853,
"band_gap": 0.3605,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0615862,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.285000Z",
"spacegroup": 62
},
{
"id": "mp-1209082",
"created_at": "2022-09-04T14:45:09.533984Z",
"structure_string": "Rb2 Y2 Se2 Cl4 O6\n1.0\n-6.675678 0.000000 0.000000\n-0.133008 -7.096597 0.000000\n2.362313 1.296357 8.544000\nRb Y Se Cl O\n2 2 2 4 6\ndirect\n0.734768 0.716213 0.614793 Rb\n0.265232 0.283787 0.385207 Rb\n0.641074 0.252885 0.018803 Y\n0.358926 0.747115 0.981197 Y\n0.866903 0.760530 0.087543 Se\n0.133097 0.239470 0.912457 Se\n0.743245 0.324428 0.332033 Cl\n0.256755 0.675572 0.667967 Cl\n0.391009 0.807027 0.287038 Cl\n0.608991 0.192973 0.712962 Cl\n0.680728 0.577349 0.015811 O\n0.319272 0.422651 0.984189 O\n0.682943 0.929708 0.027327 O\n0.317057 0.070292 0.972673 O\n0.997185 0.258253 0.050650 O\n0.002815 0.741747 0.949350 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Rb",
"Y",
"Se",
"Cl",
"O"
],
"chemical_system": "Cl-O-Rb-Se-Y",
"density": 3.0541675661370413,
"density_atomic": 0.03952876257857167,
"volume": 404.7685522205927,
"volume_molar": 15.234832479336374,
"formula_full": "Rb2 Y2 Se2 Cl4 O6",
"formula_reduced": "RbYSeCl2O3",
"formula_anonymous": "ABCD2E3",
"energy": -97.70008301,
"energy_per_atom": -6.106255188125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.12208301,
"band_gap": 4.313,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020223,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:51.387000Z",
"spacegroup": 2
},
{
"id": "mp-1232264",
"created_at": "2022-09-04T14:40:20.570387Z",
"structure_string": "Pm8 Mg4 S16\n1.0\n3.944821 0.000000 0.000000\n0.000000 12.892270 0.000000\n0.000000 0.000000 13.927997\nPm Mg S\n8 4 16\ndirect\n0.250000 0.121003 0.073624 Pm\n0.750000 0.878997 0.926376 Pm\n0.750000 0.378997 0.573624 Pm\n0.250000 0.621003 0.426376 Pm\n0.250000 0.133104 0.707205 Pm\n0.750000 0.866896 0.292795 Pm\n0.750000 0.366896 0.207205 Pm\n0.250000 0.633104 0.792795 Pm\n0.750000 0.106530 0.461868 Mg\n0.250000 0.893470 0.538132 Mg\n0.250000 0.393470 0.961868 Mg\n0.750000 0.606530 0.038132 Mg\n0.750000 0.002149 0.614253 S\n0.250000 0.997851 0.385747 S\n0.250000 0.497851 0.114253 S\n0.750000 0.502149 0.885747 S\n0.250000 0.024623 0.884976 S\n0.750000 0.975377 0.115024 S\n0.750000 0.475377 0.384976 S\n0.250000 0.524623 0.615024 S\n0.250000 0.229277 0.244528 S\n0.750000 0.770723 0.755472 S\n0.750000 0.270723 0.744528 S\n0.250000 0.729277 0.255472 S\n0.750000 0.268668 0.016016 S\n0.250000 0.731332 0.983984 S\n0.250000 0.231332 0.516016 S\n0.750000 0.768668 0.483984 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Pm",
"Mg",
"S"
],
"chemical_system": "Mg-Pm-S",
"density": 4.149930232265933,
"density_atomic": 0.039528712862664295,
"volume": 708.3458572830635,
"volume_molar": 15.234851640433858,
"formula_full": "Pm8 Mg4 S16",
"formula_reduced": "Pm2MgS4",
"formula_anonymous": "AB2C4",
"energy": -168.59779507,
"energy_per_atom": -6.021349823928571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -160.54979507,
"band_gap": 1.9562000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0031953,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.190000Z",
"spacegroup": 62
},
{
"id": "mp-867177",
"created_at": "2022-09-04T14:47:23.027487Z",
"structure_string": "Pr1 Cd1 Hg2\n1.0\n0.000000 3.698657 3.698657\n3.698657 0.000000 3.698657\n3.698657 3.698657 0.000000\nPr Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Pr",
"density": 10.739787342287269,
"density_atomic": 0.03952736106029924,
"volume": 101.19572601616319,
"volume_molar": 15.235372659493219,
"formula_full": "Pr1 Cd1 Hg2",
"formula_reduced": "PrCdHg2",
"formula_anonymous": "ABC2",
"energy": -7.97918244,
"energy_per_atom": -1.99479561,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.97918244,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0055481,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.835000Z",
"spacegroup": 225
},
{
"id": "mp-1100171",
"created_at": "2022-09-04T14:42:46.810950Z",
"structure_string": "Cs1 Mg6 Mo1\n1.0\n3.403081 -5.611308 0.000000\n3.403081 5.611308 0.000000\n0.000000 0.000000 5.299628\nCs Mg Mo\n1 6 1\ndirect\n0.358053 0.641947 0.500000 Cs\n0.885956 0.692805 0.500000 Mg\n0.307195 0.114044 0.500000 Mg\n0.824027 0.175973 0.500000 Mg\n0.699254 0.863173 0.000000 Mg\n0.136827 0.300746 0.000000 Mg\n0.656674 0.343326 0.000000 Mg\n0.132014 0.867985 0.000000 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cs",
"Mg",
"Mo"
],
"chemical_system": "Cs-Mg-Mo",
"density": 3.0739200091583316,
"density_atomic": 0.0395255763731644,
"volume": 202.4005905561327,
"volume_molar": 15.236060577951973,
"formula_full": "Cs1 Mg6 Mo1",
"formula_reduced": "CsMg6Mo",
"formula_anonymous": "ABC6",
"energy": -16.57599575,
"energy_per_atom": -2.07199946875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.57599575,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9627248,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.176000Z",
"spacegroup": 38
},
{
"id": "mp-1192196",
"created_at": "2022-09-04T14:46:14.299341Z",
"structure_string": "Ba7 In2 Se6 F8\n1.0\n2.229469 12.244031 0.000000\n-2.229469 12.244031 0.000000\n0.000000 3.302363 10.658664\nBa In Se F\n7 2 6 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.827897 0.827897 0.240029 Ba\n0.172103 0.172103 0.759971 Ba\n0.365028 0.365028 0.898570 Ba\n0.634972 0.634972 0.101430 Ba\n0.542658 0.542658 0.644325 Ba\n0.457342 0.457342 0.355675 Ba\n0.827744 0.827744 0.623426 In\n0.172256 0.172256 0.376574 In\n0.310303 0.310303 0.502079 Se\n0.689697 0.689697 0.497921 Se\n0.932001 0.932001 0.631349 Se\n0.067999 0.067999 0.368651 Se\n0.761489 0.761489 0.849022 Se\n0.238511 0.238511 0.150978 Se\n0.383810 0.383810 0.166468 F\n0.616190 0.616190 0.833532 F\n0.064578 0.064578 0.736620 F\n0.935422 0.935422 0.263380 F\n0.885795 0.885795 0.996540 F\n0.114205 0.114205 0.003460 F\n0.476363 0.476363 0.878181 F\n0.523637 0.523637 0.121819 F\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Ba",
"In",
"Se",
"F"
],
"chemical_system": "Ba-F-In-Se",
"density": 5.184024530198335,
"density_atomic": 0.03952475712928213,
"volume": 581.9137591350391,
"volume_molar": 15.23637638126931,
"formula_full": "Ba7 In2 Se6 F8",
"formula_reduced": "Ba7In2(Se3F4)2",
"formula_anonymous": "A2B6C7D8",
"energy": -122.86116597,
"energy_per_atom": -5.341789824782609,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -116.33316596999998,
"band_gap": 1.1988,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0009523,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:30.030000Z",
"spacegroup": 12
}
]
}