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=band_gap&page=12184",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=band_gap&page=12182",
"results": [
{
"id": "mp-1194722",
"created_at": "2022-09-04T14:48:06.140169Z",
"structure_string": "K4 Li4 Tm4 F20\n1.0\n-0.082394 0.000000 6.284940\n5.933849 0.000000 -2.552079\n0.000000 11.854476 0.000000\nK Li Tm F\n4 4 4 20\ndirect\n0.543248 0.059474 0.350007 K\n0.956752 0.940526 0.850007 K\n0.456752 0.940526 0.649993 K\n0.043248 0.059474 0.149993 K\n0.963889 0.563664 0.246714 Li\n0.536111 0.436336 0.746714 Li\n0.036111 0.436336 0.753286 Li\n0.463889 0.563664 0.253286 Li\n0.820148 0.682103 0.498061 Tm\n0.679852 0.317897 0.998061 Tm\n0.179852 0.317897 0.501939 Tm\n0.320148 0.682103 0.001939 Tm\n0.453260 0.664122 0.471035 F\n0.046740 0.335878 0.971035 F\n0.546740 0.335878 0.528965 F\n0.953260 0.664122 0.028965 F\n0.829384 0.044877 0.509767 F\n0.670616 0.955123 0.009767 F\n0.170616 0.955123 0.490233 F\n0.329384 0.044877 0.990233 F\n0.280721 0.726697 0.191629 F\n0.219279 0.273303 0.691629 F\n0.719279 0.273303 0.808371 F\n0.780721 0.726697 0.308371 F\n0.964247 0.464824 0.397132 F\n0.535753 0.535176 0.897132 F\n0.035753 0.535176 0.602868 F\n0.464247 0.464824 0.102868 F\n0.776346 0.293839 0.172123 F\n0.723654 0.706161 0.672123 F\n0.223654 0.706161 0.827877 F\n0.276346 0.293839 0.327877 F\n",
"nsites": 32,
"nelements": 4,
"elements": [
"K",
"Li",
"Tm",
"F"
],
"chemical_system": "F-K-Li-Tm",
"density": 4.6833663288471765,
"density_atomic": 0.07279233051925602,
"volume": 439.6067521362697,
"volume_molar": 8.27304293878452,
"formula_full": "K4 Li4 Tm4 F20",
"formula_reduced": "KLiTmF5",
"formula_anonymous": "ABCD5",
"energy": -190.65056552,
"energy_per_atom": -5.9578301725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -181.41056552,
"band_gap": 7.3809,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015279,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:26.551000Z",
"spacegroup": 14
},
{
"id": "mp-1211551",
"created_at": "2022-09-04T14:40:00.705602Z",
"structure_string": "K2 Dy2 Be2 F12\n1.0\n0.000000 -5.860261 0.000000\n-5.921315 0.000000 2.517793\n0.002202 0.000000 -7.115900\nK Dy Be F\n2 2 2 12\ndirect\n0.750000 0.071301 0.203408 K\n0.250000 0.928699 0.796592 K\n0.750000 0.388280 0.819723 Dy\n0.250000 0.611720 0.180277 Dy\n0.750000 0.767055 0.535751 Be\n0.250000 0.232945 0.464249 Be\n0.965210 0.767189 0.405047 F\n0.034790 0.232811 0.594953 F\n0.465210 0.232811 0.594953 F\n0.534790 0.767189 0.405047 F\n0.750000 0.558671 0.591855 F\n0.250000 0.441329 0.408145 F\n0.998604 0.679821 0.965705 F\n0.001396 0.320179 0.034295 F\n0.498604 0.320179 0.034295 F\n0.501396 0.679821 0.965705 F\n0.750000 0.988436 0.736177 F\n0.250000 0.011564 0.263823 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"K",
"Dy",
"Be",
"F"
],
"chemical_system": "Be-Dy-F-K",
"density": 4.366374704402015,
"density_atomic": 0.07290623868702115,
"volume": 246.89245151258064,
"volume_molar": 8.260117197723531,
"formula_full": "K2 Dy2 Be2 F12",
"formula_reduced": "KDyBeF6",
"formula_anonymous": "ABCD6",
"energy": -112.05741874,
"energy_per_atom": -6.225412152222223,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.51341874000002,
"band_gap": 7.3825,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004344,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.128000Z",
"spacegroup": 11
},
{
"id": "mp-1188177",
"created_at": "2022-09-04T14:44:56.655303Z",
"structure_string": "H16\n1.0\n4.697337 0.000000 0.000000\n0.000000 4.955131 0.000000\n0.000000 0.000000 5.477365\nH\n16\ndirect\n0.515550 0.376635 0.750000 H\n0.984450 0.876635 0.750000 H\n0.484450 0.623365 0.250000 H\n0.015550 0.123365 0.250000 H\n0.457217 0.516211 0.750000 H\n0.042783 0.016211 0.750000 H\n0.542783 0.483789 0.250000 H\n0.957217 0.983789 0.250000 H\n0.946816 0.471238 0.956469 H\n0.553184 0.971238 0.543531 H\n0.053184 0.528762 0.456469 H\n0.446816 0.028762 0.043531 H\n0.053184 0.528762 0.043531 H\n0.446816 0.028762 0.456469 H\n0.946816 0.471238 0.543531 H\n0.553184 0.971238 0.956469 H\n",
"nsites": 16,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.21005122513482502,
"density_atomic": 0.12549933974338837,
"volume": 127.49071057039504,
"volume_molar": 4.798543779045867,
"formula_full": "H16",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -53.71851732,
"energy_per_atom": -3.3574073325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.71851732,
"band_gap": 7.3865,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.948000Z",
"spacegroup": 62
},
{
"id": "mp-1211435",
"created_at": "2022-09-04T14:40:52.974149Z",
"structure_string": "K4 Li4 Tb4 F20\n1.0\n-6.007734 0.000000 2.563320\n0.074078 0.000000 -6.405637\n0.000000 -11.911148 0.000000\nK Li Tb F\n4 4 4 20\ndirect\n0.947357 0.963220 0.349761 K\n0.052643 0.036780 0.650239 K\n0.052643 0.536780 0.849761 K\n0.947357 0.463220 0.150239 K\n0.557905 0.962190 0.745693 Li\n0.442095 0.037810 0.254307 Li\n0.442095 0.537810 0.245693 Li\n0.557905 0.462190 0.754307 Li\n0.681516 0.819318 0.997840 Tb\n0.318484 0.180682 0.002160 Tb\n0.318484 0.680682 0.497840 Tb\n0.681516 0.319318 0.502160 Tb\n0.720111 0.776702 0.805067 F\n0.279889 0.223298 0.194933 F\n0.279889 0.723298 0.305067 F\n0.720111 0.276702 0.694933 F\n0.666417 0.954011 0.532054 F\n0.333583 0.045989 0.467946 F\n0.333583 0.545989 0.032054 F\n0.666417 0.454011 0.967946 F\n0.955905 0.672292 0.506734 F\n0.044095 0.327708 0.493266 F\n0.044095 0.827708 0.006734 F\n0.955905 0.172292 0.993266 F\n0.463759 0.965823 0.895286 F\n0.536241 0.034177 0.104714 F\n0.536241 0.534177 0.395286 F\n0.463759 0.465823 0.604714 F\n0.287506 0.779450 0.674737 F\n0.712494 0.220550 0.325263 F\n0.712494 0.720550 0.174737 F\n0.287506 0.279450 0.825263 F\n",
"nsites": 32,
"nelements": 4,
"elements": [
"K",
"Li",
"Tb",
"F"
],
"chemical_system": "F-K-Li-Tb",
"density": 4.368065857013558,
"density_atomic": 0.07015708715465231,
"volume": 456.1192788614513,
"volume_molar": 8.583795314541726,
"formula_full": "K4 Li4 Tb4 F20",
"formula_reduced": "KLiTbF5",
"formula_anonymous": "ABCD5",
"energy": -190.8226414,
"energy_per_atom": -5.96320754375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -181.5826414,
"band_gap": 7.3874,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021411,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.970000Z",
"spacegroup": 14
},
{
"id": "mp-1211461",
"created_at": "2022-09-04T14:42:05.290120Z",
"structure_string": "K4 Li4 Dy4 F20\n1.0\n-6.008113 0.000000 2.560310\n0.085777 0.000000 -6.372766\n0.000000 -11.904040 0.000000\nK Li Dy F\n4 4 4 20\ndirect\n0.947065 0.963255 0.349761 K\n0.052935 0.036745 0.650239 K\n0.052935 0.536745 0.849761 K\n0.947065 0.463255 0.150239 K\n0.557910 0.962076 0.745883 Li\n0.442090 0.037924 0.254117 Li\n0.442090 0.537924 0.245883 Li\n0.557910 0.462076 0.754117 Li\n0.681868 0.819807 0.997962 Dy\n0.318132 0.180193 0.002038 Dy\n0.318132 0.680193 0.497962 Dy\n0.681868 0.319807 0.502038 Dy\n0.719870 0.777095 0.805438 F\n0.280130 0.222905 0.194562 F\n0.280130 0.722905 0.305438 F\n0.719870 0.277095 0.694562 F\n0.665581 0.953365 0.531639 F\n0.334419 0.046635 0.468361 F\n0.334419 0.546635 0.031639 F\n0.665581 0.453365 0.968361 F\n0.955778 0.672724 0.506657 F\n0.044222 0.327276 0.493343 F\n0.044222 0.827276 0.006657 F\n0.955778 0.172724 0.993343 F\n0.464190 0.966269 0.895664 F\n0.535810 0.033731 0.104336 F\n0.535810 0.533731 0.395664 F\n0.464190 0.466269 0.604336 F\n0.287177 0.778401 0.674199 F\n0.712823 0.221599 0.325801 F\n0.712823 0.721599 0.174199 F\n0.287177 0.278401 0.825801 F\n",
"nsites": 32,
"nelements": 4,
"elements": [
"K",
"Li",
"Dy",
"F"
],
"chemical_system": "Dy-F-K-Li",
"density": 4.448876693540897,
"density_atomic": 0.07061350251358003,
"volume": 453.1711196997475,
"volume_molar": 8.528313347495901,
"formula_full": "K4 Li4 Dy4 F20",
"formula_reduced": "KLiDyF5",
"formula_anonymous": "ABCD5",
"energy": -190.79701046,
"energy_per_atom": -5.962406576875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -181.55701046,
"band_gap": 7.3887,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019416,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.263000Z",
"spacegroup": 14
},
{
"id": "mp-3941",
"created_at": "2022-09-04T14:39:12.641784Z",
"structure_string": "Li2 Y2 F8\n1.0\n5.362656 0.000000 0.000000\n0.000000 5.134185 0.000000\n0.000000 0.079230 5.360835\nLi Y F\n2 2 8\ndirect\n0.756989 0.000000 0.750000 Li\n0.243011 0.000000 0.250000 Li\n0.749152 0.500000 0.250000 Y\n0.250848 0.500000 0.750000 Y\n0.435530 0.263697 0.067715 F\n0.435530 0.736303 0.432285 F\n0.937154 0.262721 0.940771 F\n0.937154 0.737279 0.559229 F\n0.062846 0.737279 0.059229 F\n0.062846 0.262721 0.440771 F\n0.564470 0.263697 0.567715 F\n0.564470 0.736303 0.932285 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Y",
"F"
],
"chemical_system": "F-Li-Y",
"density": 3.8665233198126363,
"density_atomic": 0.08130127437638944,
"volume": 147.59916239990574,
"volume_molar": 7.407191100252765,
"formula_full": "Li2 Y2 F8",
"formula_reduced": "LiYF4",
"formula_anonymous": "ABC4",
"energy": -80.292695,
"energy_per_atom": -6.691057916666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.596695,
"band_gap": 7.389299999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003191,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.275000Z",
"spacegroup": 13
},
{
"id": "mp-1030730",
"created_at": "2022-09-04T14:39:48.054130Z",
"structure_string": "Na1 Mg6 B1 O8\n1.0\n8.033073 0.000000 0.000000\n0.000000 4.394417 0.000000\n0.000000 0.000000 4.394417\nNa Mg B O\n1 6 1 8\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.255202 0.000000 0.500000 Mg\n0.744798 -0.000000 0.500000 Mg\n0.255202 0.500000 -0.000000 Mg\n0.744798 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 B\n0.323714 0.000000 0.000000 O\n0.676286 -0.000000 -0.000000 O\n0.250658 0.500000 0.500000 O\n0.749342 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Na",
"Mg",
"B",
"O"
],
"chemical_system": "B-Mg-Na-O",
"density": 3.2929705503953133,
"density_atomic": 0.1031420447436593,
"volume": 155.1258755802745,
"volume_molar": 5.838686614141624,
"formula_full": "Na1 Mg6 B1 O8",
"formula_reduced": "NaMg6BO8",
"formula_anonymous": "ABC6D8",
"energy": -99.70567737,
"energy_per_atom": -6.231604835625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.20967737,
"band_gap": 7.391000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.009000Z",
"spacegroup": 123
},
{
"id": "mp-28003",
"created_at": "2022-09-04T14:41:16.467842Z",
"structure_string": "H12 O2 F8\n1.0\n5.555151 0.000000 0.000000\n-2.277792 6.225823 0.000000\n-2.335828 -2.699010 6.009654\nH O F\n12 2 8\ndirect\n0.552879 0.767258 0.995333 H\n0.447121 0.232742 0.004667 H\n0.397270 0.528065 0.759536 H\n0.602730 0.471935 0.240464 H\n0.719741 0.754903 0.833795 H\n0.280259 0.245097 0.166205 H\n0.620289 0.185073 0.762613 H\n0.379711 0.814927 0.237387 H\n0.890417 0.306940 0.614980 H\n0.109583 0.693060 0.385020 H\n0.908497 0.795687 0.611353 H\n0.091503 0.204313 0.388647 H\n0.590020 0.661902 0.888906 O\n0.409980 0.338098 0.111094 O\n0.542209 0.107228 0.849704 F\n0.457791 0.892772 0.150296 F\n0.713491 0.302583 0.639070 F\n0.286509 0.697417 0.360930 F\n0.116220 0.327425 0.587269 F\n0.883780 0.672575 0.412731 F\n0.080258 0.114375 0.242391 F\n0.919742 0.885625 0.757609 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"H",
"O",
"F"
],
"chemical_system": "F-H-O",
"density": 1.5665461040267228,
"density_atomic": 0.10584749251702834,
"volume": 207.84620851042573,
"volume_molar": 5.689450564009516,
"formula_full": "H12 O2 F8",
"formula_reduced": "H6OF4",
"formula_anonymous": "AB4C6",
"energy": -102.9998528,
"energy_per_atom": -4.681811490909091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.9298528,
"band_gap": 7.3988,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002755,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:17.712000Z",
"spacegroup": 2
},
{
"id": "mp-558826",
"created_at": "2022-09-04T14:39:07.317980Z",
"structure_string": "K2 Ho2 Be2 F12\n1.0\n5.841941 0.000000 0.000000\n0.000000 6.423864 0.000000\n0.000000 2.770066 6.522275\nK Ho Be F\n2 2 2 12\ndirect\n0.250000 0.571397 0.795440 K\n0.750000 0.428603 0.204560 K\n0.250000 0.888108 0.180235 Ho\n0.750000 0.111892 0.819765 Ho\n0.250000 0.266895 0.464048 Be\n0.750000 0.733105 0.535952 Be\n0.250000 0.488619 0.262639 F\n0.534463 0.732736 0.404545 F\n0.465537 0.267264 0.595455 F\n0.501523 0.821791 0.965233 F\n0.498477 0.178209 0.034767 F\n0.001523 0.178209 0.034767 F\n0.998477 0.821791 0.965233 F\n0.750000 0.942783 0.591164 F\n0.965537 0.732736 0.404545 F\n0.034463 0.267264 0.595455 F\n0.250000 0.057217 0.408836 F\n0.750000 0.511381 0.737361 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"K",
"Ho",
"Be",
"F"
],
"chemical_system": "Be-F-Ho-K",
"density": 4.437268397120484,
"density_atomic": 0.07353936822816802,
"volume": 244.76685663319856,
"volume_molar": 8.189002577932564,
"formula_full": "K2 Ho2 Be2 F12",
"formula_reduced": "KHoBeF6",
"formula_anonymous": "ABCD6",
"energy": -112.03081781,
"energy_per_atom": -6.223934322777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.48681781,
"band_gap": 7.4029,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003743,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:27.162000Z",
"spacegroup": 11
},
{
"id": "mp-1209088",
"created_at": "2022-09-04T14:42:19.175113Z",
"structure_string": "Rb2 Y2 Be2 F12\n1.0\n5.912975 0.000000 0.000000\n0.000000 6.565102 0.000000\n0.000000 2.914806 6.648349\nRb Y Be F\n2 2 2 12\ndirect\n0.250000 0.078502 0.787714 Rb\n0.750000 0.921498 0.212286 Rb\n0.250000 0.391450 0.180365 Y\n0.750000 0.608550 0.819635 Y\n0.250000 0.767307 0.464396 Be\n0.750000 0.232693 0.535604 Be\n0.464012 0.758561 0.595134 F\n0.535988 0.241439 0.404866 F\n0.964012 0.241439 0.404866 F\n0.035988 0.758561 0.595134 F\n0.250000 0.569455 0.398884 F\n0.750000 0.430545 0.601116 F\n0.499012 0.675592 0.031014 F\n0.500988 0.324408 0.968986 F\n0.999012 0.324408 0.968986 F\n0.000988 0.675592 0.031014 F\n0.250000 0.993710 0.272339 F\n0.750000 0.006290 0.727661 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Rb",
"Y",
"Be",
"F"
],
"chemical_system": "Be-F-Rb-Y",
"density": 3.8266967306249065,
"density_atomic": 0.0697446942900225,
"volume": 258.0841479518111,
"volume_molar": 8.634550371613734,
"formula_full": "Rb2 Y2 Be2 F12",
"formula_reduced": "RbYBeF6",
"formula_anonymous": "ABCD6",
"energy": -115.16783703,
"energy_per_atom": -6.398213168333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.62383703,
"band_gap": 7.4093,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.8e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.877000Z",
"spacegroup": 11
},
{
"id": "mp-977360",
"created_at": "2022-09-04T14:48:17.511314Z",
"structure_string": "Ac1 F3\n1.0\n0.000000 3.021662 3.021662\n3.021662 0.000000 3.021662\n3.021662 3.021662 0.000000\nAc F\n1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.250000 0.250000 0.250000 F\n0.750000 0.750000 0.750000 F\n0.500000 0.500000 0.500000 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ac",
"F"
],
"chemical_system": "Ac-F",
"density": 8.546582069007446,
"density_atomic": 0.07249237806050848,
"volume": 55.17821468984298,
"volume_molar": 8.307274393693353,
"formula_full": "Ac1 F3",
"formula_reduced": "AcF3",
"formula_anonymous": "AB3",
"energy": -27.49798723,
"energy_per_atom": -6.8744968075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.11198723,
"band_gap": 7.4101,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 4.11e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:49.250000Z",
"spacegroup": 225
},
{
"id": "mp-5588",
"created_at": "2022-09-04T14:46:32.802519Z",
"structure_string": "Ba1 Si1 F6\n1.0\n3.175740 -3.666594 0.000000\n3.175740 3.666594 0.000000\n-1.057576 0.000000 4.734001\nBa Si F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Si\n0.747997 0.747997 0.075819 F\n0.075819 0.747997 0.747997 F\n0.924181 0.252003 0.252003 F\n0.252003 0.252003 0.924181 F\n0.252003 0.924181 0.252003 F\n0.747997 0.075819 0.747997 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Si",
"F"
],
"chemical_system": "Ba-F-Si",
"density": 4.208370165881024,
"density_atomic": 0.07256444589896957,
"volume": 110.24682819377253,
"volume_molar": 8.299023971580436,
"formula_full": "Ba1 Si1 F6",
"formula_reduced": "BaSiF6",
"formula_anonymous": "ABC6",
"energy": -49.54136762,
"energy_per_atom": -6.1926709525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.76936762,
"band_gap": 7.4159,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003355,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:36.021000Z",
"spacegroup": 166
}
]
}