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=-elements&page=10235",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=10233",
"results": [
{
"id": "mp-1079338",
"created_at": "2022-09-04T14:45:35.042331Z",
"structure_string": "Ba2 Br4 O4\n1.0\n3.426484 4.888001 0.000000\n-3.426484 4.888001 0.000000\n0.000000 4.843112 8.359769\nBa Br O\n2 4 4\ndirect\n0.660328 0.339672 0.250000 Ba\n0.339672 0.660328 0.750000 Ba\n0.121995 0.642181 0.136366 Br\n0.357819 0.878005 0.363634 Br\n0.878005 0.357819 0.863634 Br\n0.642181 0.121995 0.636366 Br\n0.150856 0.278747 0.039766 O\n0.721253 0.849144 0.460234 O\n0.849144 0.721253 0.960234 O\n0.278747 0.150856 0.539766 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Br",
"O"
],
"chemical_system": "Ba-Br-O",
"density": 3.903438219316355,
"density_atomic": 0.03571048371940283,
"volume": 280.0298108134175,
"volume_molar": 16.863789377145704,
"formula_full": "Ba2 Br4 O4",
"formula_reduced": "Ba(BrO)2",
"formula_anonymous": "AB2C2",
"energy": -38.37025288,
"energy_per_atom": -3.8370252880000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.62225288,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9498478,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:10.111000Z",
"spacegroup": 15
},
{
"id": "mp-1188828",
"created_at": "2022-09-04T14:44:11.421088Z",
"structure_string": "Ba4 Br8 O4\n1.0\n4.777695 0.000000 0.000000\n0.000000 9.031214 0.000000\n0.000000 0.000000 10.887149\nBa Br O\n4 8 4\ndirect\n0.250000 0.231415 0.891130 Ba\n0.250000 0.731415 0.608870 Ba\n0.750000 0.768585 0.108870 Ba\n0.750000 0.268585 0.391130 Ba\n0.750000 0.132327 0.098971 Br\n0.750000 0.632327 0.401029 Br\n0.250000 0.867673 0.901029 Br\n0.250000 0.367673 0.598971 Br\n0.750000 0.051096 0.679292 Br\n0.750000 0.551096 0.820708 Br\n0.250000 0.948904 0.320708 Br\n0.250000 0.448904 0.179292 Br\n0.750000 0.351536 0.847454 O\n0.750000 0.851536 0.652546 O\n0.250000 0.648464 0.152546 O\n0.250000 0.148464 0.347454 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Br",
"O"
],
"chemical_system": "Ba-Br-O",
"density": 4.427526280553937,
"density_atomic": 0.034059734720055405,
"volume": 469.76290718373434,
"volume_molar": 17.681114693045398,
"formula_full": "Ba4 Br8 O4",
"formula_reduced": "BaBr2O",
"formula_anonymous": "ABC2",
"energy": -67.84684745,
"energy_per_atom": -4.240427965625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.09884745,
"band_gap": 2.0687,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 9.81e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:27.566000Z",
"spacegroup": 62
},
{
"id": "mp-726134",
"created_at": "2022-09-04T14:44:12.559552Z",
"structure_string": "Ba2 Br4 O14\n1.0\n4.110348 6.352812 0.000000\n-4.110348 6.352812 0.000000\n0.000000 5.755141 6.887625\nBa Br O\n2 4 14\ndirect\n0.348813 0.651187 0.250000 Ba\n0.651187 0.348813 0.750000 Ba\n0.785660 0.831342 0.194991 Br\n0.831342 0.785660 0.694990 Br\n0.214340 0.168658 0.805009 Br\n0.168658 0.214340 0.305009 Br\n0.714787 0.901459 0.018532 O\n0.901459 0.714787 0.518532 O\n0.285213 0.098541 0.981468 O\n0.098541 0.285213 0.481468 O\n0.050028 0.744587 0.108601 O\n0.744587 0.050028 0.608601 O\n0.949972 0.255413 0.891399 O\n0.255413 0.949972 0.391399 O\n0.675361 0.609438 0.367311 O\n0.609438 0.675361 0.867311 O\n0.324639 0.390562 0.632689 O\n0.390562 0.324639 0.132689 O\n0.703404 0.296596 0.250000 O\n0.296596 0.703404 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"Br",
"O"
],
"chemical_system": "Ba-Br-O",
"density": 3.7774365899106153,
"density_atomic": 0.055601423467207624,
"volume": 359.70302112490907,
"volume_molar": 10.830911125057279,
"formula_full": "Ba2 Br4 O14",
"formula_reduced": "BaBr2O7",
"formula_anonymous": "AB2C7",
"energy": -95.31538282,
"energy_per_atom": -4.765769141,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.69738282,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1524333,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:30.900000Z",
"spacegroup": 15
},
{
"id": "mp-771008",
"created_at": "2022-09-04T14:48:28.405938Z",
"structure_string": "Ba24 Br16 O16\n1.0\n10.696614 0.000000 0.000000\n0.000000 12.773681 0.000000\n0.000000 5.414836 13.366332\nBa Br O\n24 16 16\ndirect\n0.818959 0.010251 0.368613 Ba\n0.416065 0.092418 0.376476 Ba\n0.108996 0.208413 0.140137 Ba\n0.681041 0.010251 0.868613 Ba\n0.474781 0.339230 0.079076 Ba\n0.083935 0.092418 0.876476 Ba\n0.391004 0.208413 0.640137 Ba\n0.943913 0.423474 0.275935 Ba\n0.025219 0.339230 0.579076 Ba\n0.158199 0.564705 0.016212 Ba\n0.658199 0.435295 0.483788 Ba\n0.443913 0.576526 0.224065 Ba\n0.556087 0.423474 0.775935 Ba\n0.341801 0.564705 0.516212 Ba\n0.841801 0.435295 0.983788 Ba\n0.974781 0.660770 0.420924 Ba\n0.056087 0.576526 0.724065 Ba\n0.608996 0.791587 0.359863 Ba\n0.916065 0.907582 0.123524 Ba\n0.525219 0.660770 0.920924 Ba\n0.318959 0.989749 0.131387 Ba\n0.891004 0.791587 0.859863 Ba\n0.583935 0.907582 0.623524 Ba\n0.181041 0.989749 0.631387 Ba\n0.772442 0.151450 0.121073 Br\n0.067667 0.152363 0.389806 Br\n0.727558 0.151450 0.621073 Br\n0.627177 0.320473 0.299317 Br\n0.432333 0.152363 0.889806 Br\n0.266076 0.382392 0.402798 Br\n0.872823 0.320473 0.799317 Br\n0.766076 0.617608 0.097202 Br\n0.233924 0.382392 0.902798 Br\n0.127177 0.679527 0.200683 Br\n0.733924 0.617608 0.597202 Br\n0.567667 0.847637 0.110194 Br\n0.372823 0.679527 0.700683 Br\n0.272442 0.848550 0.378927 Br\n0.932333 0.847637 0.610194 Br\n0.227558 0.848550 0.878927 Br\n0.102913 0.042244 0.071192 O\n0.338615 0.155429 0.181870 O\n0.397087 0.042244 0.571192 O\n0.161385 0.155429 0.681870 O\n0.022411 0.402388 0.118102 O\n0.392384 0.527594 0.072123 O\n0.892384 0.472406 0.427877 O\n0.477589 0.402388 0.618102 O\n0.522411 0.597612 0.381898 O\n0.107616 0.527594 0.572123 O\n0.607616 0.472406 0.927877 O\n0.977589 0.597612 0.881898 O\n0.838615 0.844571 0.318130 O\n0.602913 0.957756 0.428808 O\n0.661385 0.844571 0.818130 O\n0.897087 0.957756 0.928808 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Ba",
"Br",
"O"
],
"chemical_system": "Ba-Br-O",
"density": 4.391862992828546,
"density_atomic": 0.030662911714035748,
"volume": 1826.3105774904725,
"volume_molar": 19.639820302008058,
"formula_full": "Ba24 Br16 O16",
"formula_reduced": "Ba3(BrO)2",
"formula_anonymous": "A2B2C3",
"energy": -304.97044148,
"energy_per_atom": -5.445900740714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -285.43444148,
"band_gap": 2.472,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001879,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:21.850000Z",
"spacegroup": 14
},
{
"id": "mp-1193601",
"created_at": "2022-09-04T14:39:05.688352Z",
"structure_string": "Ba2 Br4 O22\n1.0\n3.535533 -6.123722 0.000000\n3.535533 6.123722 0.000000\n0.000000 0.000000 11.986108\nBa Br O\n2 4 22\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.531862 Br\n0.333333 0.666667 0.031862 Br\n0.333333 0.666667 0.468138 Br\n0.666667 0.333333 0.968138 Br\n0.666667 0.333333 0.395719 O\n0.333333 0.666667 0.895719 O\n0.333333 0.666667 0.604281 O\n0.666667 0.333333 0.104281 O\n0.736787 0.577838 0.582360 O\n0.422162 0.158948 0.582360 O\n0.841052 0.263213 0.582360 O\n0.263213 0.422162 0.082360 O\n0.577838 0.841052 0.082360 O\n0.158948 0.736787 0.082360 O\n0.263213 0.422162 0.417640 O\n0.577838 0.841052 0.417640 O\n0.158948 0.736787 0.417640 O\n0.736787 0.577838 0.917640 O\n0.422162 0.158948 0.917640 O\n0.841052 0.263213 0.917640 O\n0.049816 0.914019 0.750000 O\n0.085981 0.135797 0.750000 O\n0.864203 0.950184 0.750000 O\n0.950184 0.085981 0.250000 O\n0.914019 0.864203 0.250000 O\n0.135797 0.049816 0.250000 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ba",
"Br",
"O"
],
"chemical_system": "Ba-Br-O",
"density": 3.027468037417436,
"density_atomic": 0.053948514068572075,
"volume": 519.0133682720191,
"volume_molar": 11.162755571627917,
"formula_full": "Ba2 Br4 O22",
"formula_reduced": "BaBr2O11",
"formula_anonymous": "AB2C11",
"energy": -120.66226569,
"energy_per_atom": -4.309366631785714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.66226569,
"band_gap": 1.9657,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001486,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.012000Z",
"spacegroup": 176
},
{
"id": "mp-1018098",
"created_at": "2022-09-04T14:42:13.071762Z",
"structure_string": "Ba2 Br1 N1\n1.0\n8.074162 -2.097923 0.000000\n8.074162 2.097923 0.000000\n7.529055 0.000000 3.592590\nBa Br N\n2 1 1\ndirect\n0.228458 0.228458 0.228458 Ba\n0.771542 0.771542 0.771542 Ba\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.500000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Br",
"N"
],
"chemical_system": "Ba-Br-N",
"density": 5.028496816066613,
"density_atomic": 0.03286512858993809,
"volume": 121.70954965393412,
"volume_molar": 18.323800996305014,
"formula_full": "Ba2 Br1 N1",
"formula_reduced": "Ba2BrN",
"formula_anonymous": "ABC2",
"energy": -19.45860527,
"energy_per_atom": -4.8646513175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.56360527,
"band_gap": 1.1678000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.49e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:37.173000Z",
"spacegroup": 166
},
{
"id": "mp-1190125",
"created_at": "2022-09-04T14:44:12.674609Z",
"structure_string": "Ba2 Br4 F16\n1.0\n-4.942410 4.942410 4.093514\n4.942410 -4.942410 4.093514\n4.942410 4.942410 -4.093514\nBa Br F\n2 4 16\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.750000 0.500000 Ba\n0.144365 0.526585 0.934322 Br\n0.592262 0.210043 0.065678 Br\n0.789957 0.855635 0.382219 Br\n0.473415 0.407738 0.617781 Br\n0.088316 0.556176 0.703861 F\n0.852315 0.384454 0.296139 F\n0.615546 0.911684 0.467861 F\n0.443824 0.147685 0.532139 F\n0.712000 0.903765 0.164145 F\n0.739620 0.547856 0.835855 F\n0.452144 0.288000 0.191764 F\n0.096235 0.260380 0.808236 F\n0.198752 0.484690 0.165493 F\n0.319197 0.033259 0.834507 F\n0.966741 0.801248 0.285938 F\n0.515310 0.680803 0.714062 F\n0.714086 0.116604 0.919445 F\n0.197159 0.794641 0.080555 F\n0.205359 0.285914 0.402518 F\n0.883396 0.802841 0.597482 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"Br",
"F"
],
"chemical_system": "Ba-Br-F",
"density": 3.729149804467742,
"density_atomic": 0.05500331567187362,
"volume": 399.9758874763594,
"volume_molar": 10.948686795402537,
"formula_full": "Ba2 Br4 F16",
"formula_reduced": "Ba(BrF4)2",
"formula_anonymous": "AB2C8",
"energy": -87.30982266,
"energy_per_atom": -3.9686283027272724,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.91782266,
"band_gap": 3.2254,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.8e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:25.656000Z",
"spacegroup": 82
},
{
"id": "mp-23070",
"created_at": "2022-09-04T14:41:10.372010Z",
"structure_string": "Ba2 Br2 F2\n1.0\n4.577164 0.000000 0.000000\n0.000000 4.577164 0.000000\n0.000000 0.000000 7.568592\nBa Br F\n2 2 2\ndirect\n0.000000 0.500000 0.807432 Ba\n0.500000 0.000000 0.192568 Ba\n0.500000 0.000000 0.649149 Br\n0.000000 0.500000 0.350851 Br\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Br",
"F"
],
"chemical_system": "Ba-Br-F",
"density": 4.947718750989773,
"density_atomic": 0.03783931005119935,
"volume": 158.56525903568436,
"volume_molar": 15.915038492645886,
"formula_full": "Ba2 Br2 F2",
"formula_reduced": "BaBrF",
"formula_anonymous": "ABC",
"energy": -31.47734215,
"energy_per_atom": -5.246223691666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.48534215,
"band_gap": 4.8824,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0013362,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.508000Z",
"spacegroup": 129
},
{
"id": "mp-1206930",
"created_at": "2022-09-04T14:47:26.772472Z",
"structure_string": "Ba2 Br2 F1\n1.0\n6.605128 0.000000 0.000000\n0.000000 6.605128 0.000000\n0.000000 0.000000 14.735521\nBa Br F\n2 2 1\ndirect\n0.500000 0.500000 0.168647 Ba\n0.500000 0.500000 0.831353 Ba\n0.500000 0.500000 0.634753 Br\n0.500000 0.500000 0.365247 Br\n0.500000 0.500000 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Br",
"F"
],
"chemical_system": "Ba-Br-F",
"density": 1.171279373343254,
"density_atomic": 0.007777536040874809,
"volume": 642.8771237732002,
"volume_molar": 77.42993061492308,
"formula_full": "Ba2 Br2 F1",
"formula_reduced": "Ba2Br2F",
"formula_anonymous": "AB2C2",
"energy": -17.42066485,
"energy_per_atom": -3.48413297,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.95866485,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002136,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.894000Z",
"spacegroup": 123
},
{
"id": "mp-1012551",
"created_at": "2022-09-04T14:41:13.785098Z",
"structure_string": "Ba4 Br4 Cl4\n1.0\n4.892838 0.000000 0.000000\n0.000000 8.322611 0.000000\n0.000000 0.000000 9.637778\nBa Br Cl\n4 4 4\ndirect\n0.250000 0.264466 0.120358 Ba\n0.750000 0.735534 0.879642 Ba\n0.250000 0.764466 0.379642 Ba\n0.750000 0.235534 0.620358 Ba\n0.250000 0.029287 0.831354 Br\n0.750000 0.970713 0.168646 Br\n0.250000 0.529287 0.668646 Br\n0.750000 0.470713 0.331354 Br\n0.250000 0.142565 0.431421 Cl\n0.750000 0.857435 0.568579 Cl\n0.250000 0.642565 0.068579 Cl\n0.750000 0.357435 0.931421 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Br",
"Cl"
],
"chemical_system": "Ba-Br-Cl",
"density": 4.2765098905803285,
"density_atomic": 0.03057622706404863,
"volume": 392.46176367225956,
"volume_molar": 19.69549986460168,
"formula_full": "Ba4 Br4 Cl4",
"formula_reduced": "BaBrCl",
"formula_anonymous": "ABC",
"energy": -55.08825462,
"energy_per_atom": -4.590687885,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.49625462,
"band_gap": 4.4843,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0027338,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.618000Z",
"spacegroup": 62
},
{
"id": "mp-1100395",
"created_at": "2022-09-04T14:39:47.463924Z",
"structure_string": "Ba1 Br1 Cl1\n1.0\n0.000000 3.810037 3.810037\n3.810037 0.000000 3.810037\n3.810037 3.810037 0.000000\nBa Br Cl\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Br",
"Cl"
],
"chemical_system": "Ba-Br-Cl",
"density": 3.793230774554538,
"density_atomic": 0.02712087389873372,
"volume": 110.61590460549543,
"volume_molar": 22.204818260967528,
"formula_full": "Ba1 Br1 Cl1",
"formula_reduced": "BaBrCl",
"formula_anonymous": "ABC",
"energy": -13.71022129,
"energy_per_atom": -4.570073763333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.56222129,
"band_gap": 4.9392,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.943000Z",
"spacegroup": 216
},
{
"id": "mp-1228327",
"created_at": "2022-09-04T14:44:48.007883Z",
"structure_string": "Ba12 Br16 Cl8\n1.0\n8.335183 0.000000 0.000000\n0.039523 10.941450 0.000000\n0.038964 4.293007 13.228919\nBa Br Cl\n12 16 8\ndirect\n0.764320 0.991752 0.621321 Ba\n0.754872 0.658344 0.953992 Ba\n0.764328 0.325815 0.287292 Ba\n0.254371 0.169816 0.710005 Ba\n0.255977 0.841664 0.046005 Ba\n0.254756 0.503106 0.376395 Ba\n0.239865 0.671654 0.704376 Ba\n0.239786 0.330064 0.046367 Ba\n0.238109 0.004301 0.377415 Ba\n0.740393 0.501658 0.626439 Ba\n0.740793 0.169528 0.958495 Ba\n0.740147 0.834776 0.292860 Ba\n0.529239 0.803367 0.525900 Br\n0.529060 0.468911 0.859390 Br\n0.529143 0.135642 0.193500 Br\n0.029049 0.698357 0.474060 Br\n0.028836 0.364277 0.807178 Br\n0.028683 0.032015 0.141219 Br\n0.471294 0.863055 0.805014 Br\n0.471287 0.527564 0.140513 Br\n0.470338 0.195190 0.472619 Br\n0.972834 0.970911 0.859556 Br\n0.972741 0.636420 0.194101 Br\n0.973211 0.302801 0.526210 Br\n0.645162 0.871083 0.060758 Br\n0.644517 0.536986 0.393908 Br\n0.644281 0.203739 0.726890 Br\n0.144983 0.628523 0.939089 Br\n0.143081 0.294190 0.272609 Cl\n0.143063 0.961701 0.605136 Cl\n0.356049 0.129923 0.939404 Cl\n0.355492 0.796587 0.273994 Cl\n0.355604 0.462572 0.605940 Cl\n0.857874 0.370676 0.061167 Cl\n0.858596 0.038032 0.394042 Cl\n0.857863 0.704998 0.726843 Cl\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ba",
"Br",
"Cl"
],
"chemical_system": "Ba-Br-Cl",
"density": 4.4181593625195505,
"density_atomic": 0.029839265188241544,
"volume": 1206.4640256016141,
"volume_molar": 20.181933844581007,
"formula_full": "Ba12 Br16 Cl8",
"formula_reduced": "Ba3(Br2Cl)2",
"formula_anonymous": "A2B3C4",
"energy": -161.79049716000003,
"energy_per_atom": -4.494180476666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -148.33449716,
"band_gap": 4.379700000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0079965,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.733000Z",
"spacegroup": 1
}
]
}