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_theoretical&page=10178",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=10176",
"results": [
{
"id": "mp-1228592",
"created_at": "2022-09-04T14:40:23.019349Z",
"structure_string": "Ba4 Nd5 Cu9 O22\n1.0\n3.908420 0.000000 0.000000\n0.000000 11.712357 0.000000\n0.000000 3.907873 11.678940\nBa Nd Cu O\n4 5 9 22\ndirect\n0.500000 0.274088 0.183859 Ba\n0.500000 0.603617 0.181865 Ba\n0.500000 0.396383 0.818135 Ba\n0.500000 0.725912 0.816141 Ba\n0.500000 0.835987 0.494001 Nd\n0.500000 0.500000 0.500000 Nd\n0.500000 0.164013 0.505999 Nd\n0.500000 0.949108 0.152965 Nd\n0.500000 0.050892 0.847035 Nd\n0.000000 0.050585 0.345967 Cu\n0.000000 0.719786 0.344898 Cu\n0.000000 0.382066 0.351765 Cu\n0.000000 0.949415 0.654033 Cu\n0.000000 0.617934 0.648235 Cu\n0.000000 0.280214 0.655102 Cu\n0.000000 0.835400 0.999900 Cu\n0.000000 0.500000 0.000000 Cu\n0.000000 0.164600 0.000100 Cu\n0.000000 0.879850 0.361895 O\n0.000000 0.543977 0.368890 O\n0.000000 0.207680 0.374392 O\n0.500000 0.043522 0.367133 O\n0.500000 0.712600 0.366536 O\n0.500000 0.374803 0.373699 O\n0.000000 0.792320 0.625608 O\n0.000000 0.456023 0.631110 O\n0.000000 0.120150 0.638105 O\n0.500000 0.956478 0.632867 O\n0.500000 0.625197 0.626301 O\n0.500000 0.287400 0.633464 O\n0.000000 0.099016 0.164209 O\n0.000000 0.792040 0.163834 O\n0.000000 0.445834 0.160465 O\n0.000000 0.900984 0.835791 O\n0.000000 0.554166 0.839535 O\n0.000000 0.207960 0.836166 O\n0.500000 0.157308 0.000103 O\n0.500000 0.500000 0.000000 O\n0.500000 0.842692 0.999897 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-Nd-O",
"density": 6.8158442388829785,
"density_atomic": 0.07481885120374102,
"volume": 534.6246214216126,
"volume_molar": 8.048961809906656,
"formula_full": "Ba4 Nd5 Cu9 O22",
"formula_reduced": "Ba4Nd5Cu9O22",
"formula_anonymous": "A4B5C9D22",
"energy": -266.12697265,
"energy_per_atom": -6.65317431625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -251.01297265,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.19226,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.670000Z",
"spacegroup": 10
},
{
"id": "mp-1037547",
"created_at": "2022-09-04T14:40:23.028123Z",
"structure_string": "Mg30 Zn1 Ni1 O32\n1.0\n8.514741 0.000000 0.000000\n0.000000 8.514741 0.000000\n0.000000 0.000000 8.514790\nMg Zn Ni O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.250443 0.250443 0.000000 Mg\n0.250443 0.749557 0.000000 Mg\n0.749557 0.250443 0.000000 Mg\n0.749557 0.749557 0.000000 Mg\n0.250037 0.250037 0.500000 Mg\n0.250037 0.749963 0.500000 Mg\n0.749963 0.250037 0.500000 Mg\n0.749963 0.749963 0.500000 Mg\n0.000000 0.249999 0.249795 Mg\n0.000000 0.750001 0.249795 Mg\n0.500000 0.250467 0.249411 Mg\n0.500000 0.749533 0.249411 Mg\n0.000000 0.249999 0.750205 Mg\n0.000000 0.750001 0.750205 Mg\n0.500000 0.250467 0.750589 Mg\n0.500000 0.749533 0.750589 Mg\n0.249999 0.000000 0.249795 Mg\n0.250467 0.500000 0.249411 Mg\n0.750001 0.000000 0.249795 Mg\n0.749533 0.500000 0.249411 Mg\n0.249999 0.000000 0.750205 Mg\n0.250467 0.500000 0.750589 Mg\n0.750001 0.000000 0.750205 Mg\n0.749533 0.500000 0.750589 Mg\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.253245 O\n0.000000 0.500000 0.249909 O\n0.500000 0.000000 0.249909 O\n0.500000 0.500000 0.250955 O\n0.000000 0.000000 0.746755 O\n0.000000 0.500000 0.750091 O\n0.500000 0.000000 0.750091 O\n0.500000 0.500000 0.749045 O\n0.250009 0.250009 0.249615 O\n0.250009 0.749991 0.249615 O\n0.749991 0.250009 0.249615 O\n0.749991 0.749991 0.249615 O\n0.250009 0.250009 0.750385 O\n0.250009 0.749991 0.750385 O\n0.749991 0.250009 0.750385 O\n0.749991 0.749991 0.750385 O\n0.000000 0.253413 0.000000 O\n0.000000 0.746587 0.000000 O\n0.500000 0.249206 0.000000 O\n0.500000 0.750794 0.000000 O\n0.000000 0.250106 0.500000 O\n0.000000 0.749894 0.500000 O\n0.500000 0.250246 0.500000 O\n0.500000 0.749754 0.500000 O\n0.253413 0.000000 0.000000 O\n0.249206 0.500000 0.000000 O\n0.746587 0.000000 0.000000 O\n0.750794 0.500000 0.000000 O\n0.250106 0.000000 0.500000 O\n0.250246 0.500000 0.500000 O\n0.749894 0.000000 0.500000 O\n0.749754 0.500000 0.500000 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Mg",
"Zn",
"Ni",
"O"
],
"chemical_system": "Mg-Ni-O-Zn",
"density": 3.6723081172130456,
"density_atomic": 0.10367239895936932,
"volume": 617.3292085686423,
"volume_molar": 5.808817795718379,
"formula_full": "Mg30 Zn1 Ni1 O32",
"formula_reduced": "Mg30ZnNiO32",
"formula_anonymous": "ABC30D32",
"energy": -402.41926698,
"energy_per_atom": -6.2878010465625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -377.89426698,
"band_gap": 4.0442,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.0061929,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.386000Z",
"spacegroup": 123
},
{
"id": "mp-1207632",
"created_at": "2022-09-04T14:40:23.031183Z",
"structure_string": "Y4 Co4 Si4\n1.0\n0.000000 -4.145078 0.000000\n-6.824551 0.000000 0.000000\n0.000000 0.000000 -7.104631\nY Co Si\n4 4 4\ndirect\n0.750000 0.010338 0.306820 Y\n0.250000 0.989662 0.693180 Y\n0.250000 0.489662 0.806820 Y\n0.750000 0.510338 0.193180 Y\n0.750000 0.849867 0.932779 Co\n0.250000 0.150133 0.067221 Co\n0.250000 0.650133 0.432779 Co\n0.750000 0.349867 0.567221 Co\n0.750000 0.695794 0.598518 Si\n0.250000 0.304206 0.401482 Si\n0.250000 0.804206 0.098518 Si\n0.750000 0.195794 0.901482 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Y",
"Co",
"Si"
],
"chemical_system": "Co-Si-Y",
"density": 5.814163064656394,
"density_atomic": 0.05970805561393455,
"volume": 200.9779061905922,
"volume_molar": 10.085977006081846,
"formula_full": "Y4 Co4 Si4",
"formula_reduced": "YCoSi",
"formula_anonymous": "ABC",
"energy": -84.34101849999999,
"energy_per_atom": -7.028418208333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.6250185,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015813,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.013000Z",
"spacegroup": 62
},
{
"id": "mp-1184086",
"created_at": "2022-09-04T14:40:23.065138Z",
"structure_string": "Er2 Mg1 Cd1\n1.0\n0.000000 3.739183 3.739183\n3.739183 0.000000 3.739183\n3.739183 3.739183 0.000000\nEr Mg Cd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Er\n0.750000 0.750000 0.750000 Er\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Mg",
"Cd"
],
"chemical_system": "Cd-Er-Mg",
"density": 7.483858332454017,
"density_atomic": 0.038256024244016175,
"volume": 104.5586957621625,
"volume_molar": 15.741679589043951,
"formula_full": "Er2 Mg1 Cd1",
"formula_reduced": "Er2MgCd",
"formula_anonymous": "ABC2",
"energy": -12.39191744,
"energy_per_atom": -3.09797936,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.39191744,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0055277,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.938000Z",
"spacegroup": 225
},
{
"id": "mp-975065",
"created_at": "2022-09-04T14:40:23.066188Z",
"structure_string": "Re3\n1.0\n6.782774 -1.392476 0.000000\n6.782774 1.392476 0.000000\n6.496905 0.000000 2.394838\nRe\n3\ndirect\n0.000000 0.000000 0.000000 Re\n0.222337 0.222337 0.222337 Re\n0.777663 0.777663 0.777663 Re\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Re"
],
"chemical_system": "Re",
"density": 20.505254017435366,
"density_atomic": 0.066316264187289,
"volume": 45.237771408948234,
"volume_molar": 9.080940903112992,
"formula_full": "Re3",
"formula_reduced": "Re",
"formula_anonymous": "A",
"energy": -37.27807494,
"energy_per_atom": -12.426024980000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.27807494,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016805,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.127000Z",
"spacegroup": 166
},
{
"id": "mp-25838",
"created_at": "2022-09-04T14:40:23.103376Z",
"structure_string": "Li2 Cr4 P6 O24\n1.0\n7.311860 -4.245425 0.000000\n7.311860 4.245425 0.000000\n4.846875 0.000000 6.927824\nLi Cr P O\n2 4 6 24\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.639722 0.639722 0.639722 Cr\n0.139722 0.139722 0.139722 Cr\n0.360278 0.360278 0.360278 Cr\n0.860278 0.860278 0.860278 Cr\n0.461698 0.750000 0.038302 P\n0.961698 0.538302 0.250000 P\n0.038302 0.461698 0.750000 P\n0.750000 0.038302 0.461698 P\n0.250000 0.961698 0.538302 P\n0.538302 0.250000 0.961698 P\n0.233747 0.443211 0.581966 O\n0.692527 0.874103 0.497849 O\n0.443211 0.581966 0.233747 O\n0.943211 0.733747 0.081966 O\n0.192527 0.997849 0.374103 O\n0.581966 0.233747 0.443211 O\n0.374103 0.192527 0.997849 O\n0.874103 0.497849 0.692527 O\n0.125897 0.502151 0.307473 O\n0.625897 0.807473 0.002151 O\n0.418034 0.766253 0.556789 O\n0.918034 0.056789 0.266253 O\n0.307473 0.125897 0.502151 O\n0.807473 0.002151 0.625897 O\n0.556789 0.418034 0.766253 O\n0.056789 0.266253 0.918034 O\n0.502151 0.307473 0.125897 O\n0.266253 0.918034 0.056789 O\n0.002151 0.625897 0.807473 O\n0.733747 0.081966 0.943211 O\n0.766253 0.556789 0.418034 O\n0.081966 0.943211 0.733747 O\n0.497849 0.692527 0.874103 O\n0.997849 0.374103 0.192527 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 3.0565456243022973,
"density_atomic": 0.08370022370568636,
"volume": 430.1063773328274,
"volume_molar": 7.1948920724221095,
"formula_full": "Li2 Cr4 P6 O24",
"formula_reduced": "LiCr2(PO4)3",
"formula_anonymous": "AB2C3D12",
"energy": -282.0716801,
"energy_per_atom": -7.835324447222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -257.5876801,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0007362,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.268000Z",
"spacegroup": 167
},
{
"id": "mp-1094316",
"created_at": "2022-09-04T14:40:23.105386Z",
"structure_string": "Sr2 Mg4\n1.0\n3.061837 5.285382 0.000000\n-3.061837 5.285382 0.000000\n0.000000 3.250475 5.933549\nSr Mg\n2 4\ndirect\n0.095425 0.904575 0.250000 Sr\n0.904575 0.095425 0.750000 Sr\n0.253845 0.418260 0.747984 Mg\n0.581740 0.746155 0.752016 Mg\n0.418260 0.253845 0.247984 Mg\n0.746155 0.581740 0.252016 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.3558567145268885,
"density_atomic": 0.031242679476271486,
"volume": 192.04498783649277,
"volume_molar": 19.27536581673079,
"formula_full": "Sr2 Mg4",
"formula_reduced": "SrMg2",
"formula_anonymous": "AB2",
"energy": -9.38454428,
"energy_per_atom": -1.5640907133333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.38454428,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.22e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.552000Z",
"spacegroup": 15
},
{
"id": "mp-971753",
"created_at": "2022-09-04T14:40:24.128494Z",
"structure_string": "Zn1 Ge3\n1.0\n4.222363 0.000000 0.000000\n0.000000 4.222363 0.000000\n0.000000 0.000000 4.222363\nZn Ge\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ge\n0.500000 0.000000 0.500000 Ge\n0.500000 0.500000 0.000000 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"Ge"
],
"chemical_system": "Ge-Zn",
"density": 6.249905123110155,
"density_atomic": 0.05313654218385171,
"volume": 75.27776245130997,
"volume_molar": 11.333332039490783,
"formula_full": "Zn1 Ge3",
"formula_reduced": "ZnGe3",
"formula_anonymous": "AB3",
"energy": -14.05334861,
"energy_per_atom": -3.5133371525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.05334861,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009343,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.961000Z",
"spacegroup": 221
},
{
"id": "mp-766258",
"created_at": "2022-09-04T14:40:23.053164Z",
"structure_string": "Y13 Tm3 O24\n1.0\n9.235812 0.000000 0.000000\n-3.073153 8.715070 0.000000\n-3.078123 -4.354522 7.551032\nY Tm O\n13 3 24\ndirect\n0.031990 0.281572 0.249679 Y\n0.998985 0.500280 0.999980 Y\n0.283381 0.248730 0.032630 Y\n0.216255 0.750747 0.467523 Y\n0.750033 0.534185 0.282804 Y\n0.749744 0.032714 0.783626 Y\n0.500456 0.500536 0.500961 Y\n0.465790 0.216110 0.750468 Y\n0.535008 0.784624 0.249108 Y\n0.250689 0.466868 0.717237 Y\n0.249214 0.966207 0.216029 Y\n0.783749 0.249248 0.532526 Y\n0.966852 0.717731 0.750340 Y\n0.999665 0.999742 0.498591 Tm\n0.500453 0.999359 0.999898 Tm\n0.716043 0.751258 0.966722 Tm\n0.957299 0.489673 0.228733 O\n0.543230 0.267901 0.032993 O\n0.270960 0.542032 0.510161 O\n0.964502 0.739305 0.010083 O\n0.774674 0.765055 0.228056 O\n0.466685 0.956844 0.731843 O\n0.235702 0.010478 0.467321 O\n0.261719 0.229043 0.271817 O\n0.008948 0.775315 0.542452 O\n0.489835 0.532735 0.260796 O\n0.767984 0.029752 0.042445 O\n0.728153 0.270692 0.760279 O\n0.271337 0.728952 0.238805 O\n0.232196 0.966255 0.957004 O\n0.513677 0.471342 0.743464 O\n0.990424 0.225055 0.457356 O\n0.764630 0.989043 0.532563 O\n0.737866 0.770888 0.731226 O\n0.224860 0.234791 0.767987 O\n0.533263 0.043132 0.268109 O\n0.728993 0.457963 0.489778 O\n0.031797 0.260891 0.989805 O\n0.459863 0.732137 0.966721 O\n0.043098 0.510816 0.772083 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Y",
"Tm",
"O"
],
"chemical_system": "O-Tm-Y",
"density": 5.591421251892714,
"density_atomic": 0.06581239820913865,
"volume": 607.7882145076676,
"volume_molar": 9.150465450085619,
"formula_full": "Y13 Tm3 O24",
"formula_reduced": "Y13Tm3O24",
"formula_anonymous": "A3B13C24",
"energy": -375.9073189999999,
"energy_per_atom": -9.397682974999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -359.419319,
"band_gap": 3.991,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013112,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.772000Z",
"spacegroup": 1
},
{
"id": "mp-1206593",
"created_at": "2022-09-04T14:40:23.056344Z",
"structure_string": "Er1 Pd2 Pb1\n1.0\n0.000000 3.432480 3.432480\n3.432480 0.000000 3.432480\n3.432480 3.432480 0.000000\nEr Pd Pb\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Er\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Pd",
"Pb"
],
"chemical_system": "Er-Pb-Pd",
"density": 12.057417996117543,
"density_atomic": 0.04945451526385705,
"volume": 80.88240231773798,
"volume_molar": 12.17713029410921,
"formula_full": "Er1 Pd2 Pb1",
"formula_reduced": "ErPd2Pb",
"formula_anonymous": "ABC2",
"energy": -21.47610856,
"energy_per_atom": -5.36902714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.47610856,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009919,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.267000Z",
"spacegroup": 225
},
{
"id": "mp-864835",
"created_at": "2022-09-04T14:40:23.060412Z",
"structure_string": "Hf2 Co1 Ir1\n1.0\n0.000000 3.214572 3.214572\n3.214572 0.000000 3.214572\n3.214572 3.214572 0.000000\nHf Co Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Hf\n0.750000 0.750000 0.750000 Hf\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Co",
"Ir"
],
"chemical_system": "Co-Hf-Ir",
"density": 15.200091308870046,
"density_atomic": 0.060208876461726304,
"volume": 66.43538685766255,
"volume_molar": 10.002081277547449,
"formula_full": "Hf2 Co1 Ir1",
"formula_reduced": "Hf2CoIr",
"formula_anonymous": "ABC2",
"energy": -38.5856061,
"energy_per_atom": -9.646401525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.5856061,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3622271,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.225000Z",
"spacegroup": 225
},
{
"id": "mp-961659",
"created_at": "2022-09-04T14:40:23.069707Z",
"structure_string": "Ti1 Si1 Pd1\n1.0\n0.000000 2.941173 2.941173\n2.941173 0.000000 2.941173\n2.941173 2.941173 0.000000\nTi Si Pd\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Si\n0.750000 0.750000 0.750000 Pd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"Si",
"Pd"
],
"chemical_system": "Pd-Si-Ti",
"density": 5.951367128283562,
"density_atomic": 0.05895620870473253,
"volume": 50.8852259314155,
"volume_molar": 10.214599772112875,
"formula_full": "Ti1 Si1 Pd1",
"formula_reduced": "TiSiPd",
"formula_anonymous": "ABC",
"energy": -20.3854619,
"energy_per_atom": -6.795153966666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.4564619,
"band_gap": 0.4087000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003869,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.757000Z",
"spacegroup": 216
}
]
}