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_magnetic&page=12154",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=12152",
"results": [
{
"id": "mp-1519132",
"created_at": "2022-09-04T14:43:05.769413Z",
"structure_string": "Sr1 Ca1 Hf1 Sn1 O6\n1.0\n0.000000 -4.103136 -4.103136\n4.103136 -0.000000 -4.103136\n4.103136 -4.103136 0.000000\nSr Ca Hf Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Ca\n-0.000000 0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 Sn\n0.749859 0.250141 0.250141 O\n0.250141 0.749859 0.749859 O\n0.749859 0.250141 0.749859 O\n0.250141 0.749859 0.250141 O\n0.749859 0.749859 0.250141 O\n0.250141 0.250141 0.749859 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Hf",
"Sn",
"O"
],
"chemical_system": "Ca-Hf-O-Sn-Sr",
"density": 6.260673479504767,
"density_atomic": 0.07238061487895804,
"volume": 138.15853895028357,
"volume_molar": 8.320101687545504,
"formula_full": "Sr1 Ca1 Hf1 Sn1 O6",
"formula_reduced": "SrCaHfSnO6",
"formula_anonymous": "ABCDE6",
"energy": -78.86126336,
"energy_per_atom": -7.886126335999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.73926336,
"band_gap": 3.6634,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.372000Z",
"spacegroup": 216
},
{
"id": "mp-632808",
"created_at": "2022-09-04T14:43:15.197779Z",
"structure_string": "Ba1 Li1 H3\n1.0\n5.065786 0.000000 0.000000\n0.000000 5.065786 0.000000\n0.000000 0.000000 5.065786\nBa Li H\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 H\n0.500000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Li",
"H"
],
"chemical_system": "Ba-H-Li",
"density": 1.8814262873902434,
"density_atomic": 0.03846178944677219,
"volume": 129.99915167544583,
"volume_molar": 15.657463801402493,
"formula_full": "Ba1 Li1 H3",
"formula_reduced": "BaLiH3",
"formula_anonymous": "ABC3",
"energy": -13.95791409,
"energy_per_atom": -2.7915828179999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.42091409,
"band_gap": 1.1987,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001207,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:02.834000Z",
"spacegroup": 221
},
{
"id": "mp-1199265",
"created_at": "2022-09-04T14:43:14.057973Z",
"structure_string": "Nb4 Pb4 Se8 O30\n1.0\n3.593872 13.518805 0.000000\n-3.593872 13.518805 0.000000\n0.000000 0.607351 7.855709\nNb Pb Se O\n4 4 8 30\ndirect\n0.921668 0.936299 0.737263 Nb\n0.063701 0.078332 0.762737 Nb\n0.078332 0.063701 0.262737 Nb\n0.936299 0.921668 0.237263 Nb\n0.812519 0.594310 0.683643 Pb\n0.405690 0.187481 0.816357 Pb\n0.187481 0.405690 0.316357 Pb\n0.594310 0.812519 0.183643 Pb\n0.919202 0.702999 0.937318 Se\n0.297001 0.080798 0.562682 Se\n0.080798 0.297001 0.062682 Se\n0.702999 0.919202 0.437318 Se\n0.342865 0.498557 0.513637 Se\n0.501443 0.657135 0.986363 Se\n0.657135 0.501443 0.486363 Se\n0.498557 0.342865 0.013637 Se\n0.047541 0.517800 0.812965 O\n0.482200 0.952459 0.687035 O\n0.952459 0.482200 0.187035 O\n0.517800 0.047541 0.312965 O\n0.702032 0.829884 0.950232 O\n0.170116 0.297968 0.549768 O\n0.297968 0.170116 0.049768 O\n0.829884 0.702032 0.450232 O\n0.845004 0.857760 0.786654 O\n0.142240 0.154996 0.713346 O\n0.154996 0.142240 0.213346 O\n0.857760 0.845004 0.286654 O\n0.200168 0.649432 0.336086 O\n0.350568 0.799832 0.163914 O\n0.799832 0.350568 0.663914 O\n0.649432 0.200168 0.836086 O\n0.340130 0.379540 0.530731 O\n0.620460 0.659870 0.969269 O\n0.659870 0.620460 0.469269 O\n0.379540 0.340130 0.030731 O\n0.196084 0.655457 0.688873 O\n0.344543 0.803916 0.811127 O\n0.803916 0.344543 0.311127 O\n0.655457 0.196084 0.188873 O\n0.850942 0.999491 0.515846 O\n0.000509 0.149058 0.984154 O\n0.149058 0.000509 0.484154 O\n0.999491 0.850942 0.015846 O\n0.996421 0.003579 0.750000 O\n0.003579 0.996421 0.250000 O\n",
"nsites": 46,
"nelements": 4,
"elements": [
"Nb",
"Pb",
"Se",
"O"
],
"chemical_system": "Nb-O-Pb-Se",
"density": 5.029642012956659,
"density_atomic": 0.06026172229438331,
"volume": 763.3369616501556,
"volume_molar": 9.993310066017301,
"formula_full": "Nb4 Pb4 Se8 O30",
"formula_reduced": "Nb2Pb2Se4O15",
"formula_anonymous": "A2B2C4D15",
"energy": -318.66100106,
"energy_per_atom": -6.927413066521739,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -298.05100106,
"band_gap": 2.6621,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008071,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:21.449000Z",
"spacegroup": 15
},
{
"id": "mp-1212120",
"created_at": "2022-09-04T14:43:14.747835Z",
"structure_string": "Pr4 H40 N4 Cl8 O32\n1.0\n6.586194 0.000000 0.000000\n0.000000 12.324304 0.000000\n0.000000 0.512395 12.719247\nPr H N Cl O\n4 40 4 8 32\ndirect\n0.715468 0.500000 0.750000 Pr\n0.284532 0.500000 0.250000 Pr\n0.254540 0.000000 0.750000 Pr\n0.745460 0.000000 0.250000 Pr\n0.994848 0.778601 0.262938 H\n0.005152 0.221399 0.737062 H\n0.994848 0.221399 0.237062 H\n0.005152 0.778601 0.762938 H\n0.846622 0.987195 0.876839 H\n0.153378 0.012805 0.123161 H\n0.846622 0.012805 0.623161 H\n0.153378 0.987195 0.376839 H\n0.885298 0.787552 0.373608 H\n0.114702 0.212448 0.626392 H\n0.885298 0.212448 0.126392 H\n0.114702 0.787552 0.873608 H\n0.940582 0.898491 0.592466 H\n0.059418 0.101509 0.407534 H\n0.940582 0.101509 0.907534 H\n0.059418 0.898491 0.092466 H\n0.840682 0.477289 0.162084 H\n0.159318 0.522711 0.837916 H\n0.840682 0.522711 0.337916 H\n0.159318 0.477289 0.662084 H\n0.375621 0.784371 0.639418 H\n0.624379 0.215629 0.360582 H\n0.375621 0.215629 0.860582 H\n0.624379 0.784371 0.139418 H\n0.400767 0.875426 0.548838 H\n0.599233 0.124574 0.451162 H\n0.400767 0.124574 0.951162 H\n0.599233 0.875426 0.048838 H\n0.590203 0.711894 0.871711 H\n0.409797 0.288106 0.128289 H\n0.590203 0.288106 0.628289 H\n0.409797 0.711894 0.371711 H\n0.592373 0.615944 0.958826 H\n0.407627 0.384056 0.041174 H\n0.592373 0.384056 0.541174 H\n0.407627 0.615944 0.458826 H\n0.972582 0.405985 0.092981 H\n0.027418 0.594015 0.907019 H\n0.972582 0.594015 0.407019 H\n0.027418 0.405985 0.592981 H\n0.853055 0.686443 0.585338 N\n0.146945 0.313557 0.414662 N\n0.853055 0.313557 0.914662 N\n0.146945 0.686443 0.085338 N\n0.377816 0.604633 0.636109 Cl\n0.622184 0.395367 0.363891 Cl\n0.377816 0.395367 0.863891 Cl\n0.622184 0.604633 0.136109 Cl\n0.559282 0.887064 0.878428 Cl\n0.440718 0.112936 0.121572 Cl\n0.559282 0.112936 0.621572 Cl\n0.440718 0.887064 0.378428 Cl\n0.901373 0.822895 0.303693 O\n0.098627 0.177105 0.696307 O\n0.901373 0.177105 0.196307 O\n0.098627 0.822895 0.803693 O\n0.825601 0.593012 0.550416 O\n0.174399 0.406988 0.449584 O\n0.825601 0.406988 0.949584 O\n0.174399 0.593012 0.050416 O\n0.964167 0.430993 0.164700 O\n0.035833 0.569007 0.835300 O\n0.964167 0.569007 0.335300 O\n0.035833 0.430993 0.664700 O\n0.905920 0.765711 0.525885 O\n0.094080 0.234289 0.474115 O\n0.905920 0.234289 0.974115 O\n0.094080 0.765711 0.025885 O\n0.971426 0.968127 0.624514 O\n0.028574 0.031873 0.375486 O\n0.971426 0.031873 0.875486 O\n0.028574 0.968127 0.124514 O\n0.610540 0.632526 0.883053 O\n0.389460 0.367474 0.116947 O\n0.610540 0.367474 0.616947 O\n0.389460 0.632526 0.383053 O\n0.371346 0.863674 0.624430 O\n0.628654 0.136326 0.375570 O\n0.371346 0.136326 0.875570 O\n0.628654 0.863674 0.124430 O\n0.824766 0.698754 0.683459 O\n0.175234 0.301246 0.316541 O\n0.824766 0.301246 0.816541 O\n0.175234 0.698754 0.183459 O\n",
"nsites": 88,
"nelements": 5,
"elements": [
"Pr",
"H",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-H-N-O-Pr",
"density": 2.341136817952223,
"density_atomic": 0.08523625297410077,
"volume": 1032.424548586609,
"volume_molar": 7.06523404053184,
"formula_full": "Pr4 H40 N4 Cl8 O32",
"formula_reduced": "PrH10N(ClO4)2",
"formula_anonymous": "ABC2D8E10",
"energy": -492.87974855,
"energy_per_atom": -5.6009062335227275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -465.98374855,
"band_gap": 3.6984,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.51e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.913000Z",
"spacegroup": 13
},
{
"id": "mp-1079995",
"created_at": "2022-09-04T14:43:14.077125Z",
"structure_string": "Yb2 Pr2 S6\n1.0\n2.003852 -6.956861 0.000000\n2.003852 6.956861 0.000000\n0.000000 0.000000 8.876747\nYb Pr S\n2 2 6\ndirect\n0.000000 0.000000 0.500000 Yb\n0.000000 0.000000 0.000000 Yb\n0.747654 0.252346 0.250000 Pr\n0.252346 0.747654 0.750000 Pr\n0.638378 0.361622 0.584098 S\n0.638378 0.361622 0.915902 S\n0.361622 0.638378 0.084098 S\n0.361622 0.638378 0.415902 S\n0.108252 0.891748 0.250000 S\n0.891748 0.108252 0.750000 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Yb",
"Pr",
"S"
],
"chemical_system": "Pr-S-Yb",
"density": 5.503655228272782,
"density_atomic": 0.04040519376687893,
"volume": 247.49293513343403,
"volume_molar": 14.904372924790891,
"formula_full": "Yb2 Pr2 S6",
"formula_reduced": "YbPrS3",
"formula_anonymous": "ABC3",
"energy": -57.65486371,
"energy_per_atom": -5.765486371,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.63686371,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.378199,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:10.549000Z",
"spacegroup": 63
},
{
"id": "mp-11743",
"created_at": "2022-09-04T14:43:05.326478Z",
"structure_string": "Li1 Y1 Ga4\n1.0\n2.177412 -3.771387 0.000000\n2.177412 3.771387 0.000000\n0.000000 0.000000 6.906499\nLi Y Ga\n1 1 4\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Y\n0.333333 0.666667 0.308640 Ga\n0.666667 0.333333 0.776838 Ga\n0.333333 0.666667 0.691360 Ga\n0.666667 0.333333 0.223162 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Y",
"Ga"
],
"chemical_system": "Ga-Li-Y",
"density": 5.485903406534744,
"density_atomic": 0.052895848703169004,
"volume": 113.43045148343633,
"volume_molar": 11.384902421726741,
"formula_full": "Li1 Y1 Ga4",
"formula_reduced": "LiYGa4",
"formula_anonymous": "ABC4",
"energy": -23.49517461,
"energy_per_atom": -3.9158624349999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.49517461,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.6e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:56.062000Z",
"spacegroup": 187
},
{
"id": "mp-752473",
"created_at": "2022-09-04T14:43:05.340560Z",
"structure_string": "Sm1 Th4 O10\n1.0\n-4.435038 4.435038 2.805821\n4.435038 -4.435038 2.805821\n4.435038 4.435038 -2.805821\nSm Th O\n1 4 10\ndirect\n0.500000 0.500000 0.000000 Sm\n0.100798 0.298637 0.399435 Th\n0.899202 0.701363 0.600565 Th\n0.298637 0.899202 0.197838 Th\n0.701363 0.100798 0.802162 Th\n0.550598 0.651965 0.697788 O\n0.045823 0.147190 0.697788 O\n0.852810 0.550598 0.898634 O\n0.348035 0.045823 0.898634 O\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n0.449402 0.348035 0.302212 O\n0.954177 0.852810 0.302212 O\n0.651965 0.954177 0.101366 O\n0.147190 0.449402 0.101366 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Sm",
"Th",
"O"
],
"chemical_system": "O-Sm-Th",
"density": 9.316068072819181,
"density_atomic": 0.06794799025434899,
"volume": 220.7570811712114,
"volume_molar": 8.86286811053187,
"formula_full": "Sm1 Th4 O10",
"formula_reduced": "SmTh4O10",
"formula_anonymous": "AB4C10",
"energy": -145.61609672,
"energy_per_atom": -9.707739781333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -138.74609672,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9992212,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.494000Z",
"spacegroup": 87
},
{
"id": "mp-9812",
"created_at": "2022-09-04T14:43:05.432547Z",
"structure_string": "Zn2 C2 O6\n1.0\n5.263292 -2.360661 0.000000\n5.263292 2.360661 0.000000\n4.204502 0.000000 3.949320\nZn C O\n2 2 6\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.750000 0.750000 0.750000 C\n0.250000 0.250000 0.250000 C\n0.475048 0.750000 0.024952 O\n0.750000 0.024952 0.475048 O\n0.975048 0.524952 0.250000 O\n0.524952 0.250000 0.975048 O\n0.250000 0.975048 0.524952 O\n0.024952 0.475048 0.750000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zn",
"C",
"O"
],
"chemical_system": "C-O-Zn",
"density": 4.244193810043934,
"density_atomic": 0.10189587190360373,
"volume": 98.13940263900261,
"volume_molar": 5.910092967943892,
"formula_full": "Zn2 C2 O6",
"formula_reduced": "ZnCO3",
"formula_anonymous": "ABC3",
"energy": -68.88936604,
"energy_per_atom": -6.8889366039999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.76736604,
"band_gap": 3.5639,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004407,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:59.747000Z",
"spacegroup": 167
},
{
"id": "mp-1225912",
"created_at": "2022-09-04T14:43:05.442226Z",
"structure_string": "Dy4 Cu7 Sn11\n1.0\n4.410124 0.000000 0.000000\n0.000000 4.410124 0.000000\n0.000000 0.000000 25.255676\nDy Cu Sn\n4 7 11\ndirect\n0.500000 0.500000 0.180275 Dy\n0.000000 0.000000 0.675675 Dy\n0.000000 0.000000 0.997338 Dy\n0.500000 0.500000 0.498686 Dy\n0.500000 0.000000 0.083320 Cu\n0.000000 0.500000 0.589328 Cu\n0.000000 0.500000 0.083320 Cu\n0.500000 0.000000 0.589328 Cu\n0.500000 0.500000 0.632281 Cu\n0.000000 0.000000 0.233038 Cu\n0.500000 0.500000 0.725228 Cu\n0.500000 0.000000 0.403208 Sn\n0.000000 0.500000 0.901779 Sn\n0.000000 0.500000 0.403208 Sn\n0.500000 0.000000 0.901779 Sn\n0.500000 0.000000 0.287523 Sn\n0.000000 0.500000 0.784261 Sn\n0.000000 0.500000 0.287523 Sn\n0.500000 0.000000 0.784261 Sn\n0.500000 0.500000 0.023254 Sn\n0.000000 0.000000 0.531001 Sn\n0.000000 0.000000 0.135782 Sn\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Dy",
"Cu",
"Sn"
],
"chemical_system": "Cu-Dy-Sn",
"density": 8.115477712553846,
"density_atomic": 0.044788042523955796,
"volume": 491.2025344316589,
"volume_molar": 13.445867290982711,
"formula_full": "Dy4 Cu7 Sn11",
"formula_reduced": "Dy4Cu7Sn11",
"formula_anonymous": "A4B7C11",
"energy": -97.25233138,
"energy_per_atom": -4.420560517272727,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.25233138,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.565000Z",
"spacegroup": 99
},
{
"id": "mp-1074667",
"created_at": "2022-09-04T14:43:05.448894Z",
"structure_string": "Mg8 Si4\n1.0\n5.424821 0.000000 0.000000\n0.081687 6.263688 0.000000\n2.552264 0.155425 7.250701\nMg Si\n8 4\ndirect\n0.229233 0.631216 0.517216 Mg\n0.798829 0.875624 0.917552 Mg\n0.771316 0.875318 0.446258 Mg\n0.805653 0.376958 0.877640 Mg\n0.228684 0.124682 0.553742 Mg\n0.201171 0.124376 0.082448 Mg\n0.194347 0.623042 0.122360 Mg\n0.770767 0.368784 0.482784 Mg\n0.627895 0.173745 0.215269 Si\n0.351193 0.427928 0.790438 Si\n0.372105 0.826255 0.784731 Si\n0.648807 0.572072 0.209562 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.0676805666367257,
"density_atomic": 0.04870636513213691,
"volume": 246.3743694986241,
"volume_molar": 12.364176106474709,
"formula_full": "Mg8 Si4",
"formula_reduced": "Mg2Si",
"formula_anonymous": "AB2",
"energy": -34.07663824,
"energy_per_atom": -2.8397198533333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.36063824,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0170128,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.007000Z",
"spacegroup": 2
},
{
"id": "mp-1190335",
"created_at": "2022-09-04T14:43:05.564988Z",
"structure_string": "Ba2 Cd2 As4 O14\n1.0\n5.923476 0.000000 0.000000\n-0.955574 7.409354 0.000000\n-0.099723 -1.475034 7.761555\nBa Cd As O\n2 2 4 14\ndirect\n0.701956 0.275215 0.930405 Ba\n0.298044 0.724785 0.069595 Ba\n0.312497 0.836421 0.603105 Cd\n0.687503 0.163579 0.396895 Cd\n0.813388 0.776194 0.813010 As\n0.186612 0.223806 0.186990 As\n0.789264 0.669164 0.399783 As\n0.210736 0.330836 0.600217 As\n0.940798 0.229048 0.623853 O\n0.059202 0.770952 0.376147 O\n0.785814 0.645260 0.967886 O\n0.214186 0.354740 0.032114 O\n0.781522 0.614760 0.612907 O\n0.218478 0.385240 0.387093 O\n0.593634 0.906249 0.817941 O\n0.406366 0.093751 0.182059 O\n0.590093 0.818933 0.390723 O\n0.409907 0.181067 0.609277 O\n0.284903 0.542420 0.722207 O\n0.715097 0.457580 0.277793 O\n0.076967 0.900783 0.824807 O\n0.923033 0.099217 0.175193 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ba",
"Cd",
"As",
"O"
],
"chemical_system": "As-Ba-Cd-O",
"density": 4.9875169731078755,
"density_atomic": 0.06458281391043154,
"volume": 340.6479010114255,
"volume_molar": 9.324680043133414,
"formula_full": "Ba2 Cd2 As4 O14",
"formula_reduced": "BaCdAs2O7",
"formula_anonymous": "ABC2D7",
"energy": -139.94572655,
"energy_per_atom": -6.361169388636363,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -130.32772655,
"band_gap": 2.5654,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008229,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:09.317000Z",
"spacegroup": 2
},
{
"id": "mp-1094880",
"created_at": "2022-09-04T14:43:05.572896Z",
"structure_string": "Sr2 Mg2\n1.0\n4.009475 0.000000 0.000000\n0.000000 5.981249 0.000000\n0.000000 0.000000 6.116758\nSr Mg\n2 2\ndirect\n0.500000 0.250000 0.287429 Sr\n0.500000 0.750000 0.712571 Sr\n0.000000 0.750000 0.189464 Mg\n0.000000 0.250000 0.810536 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.533993550143777,
"density_atomic": 0.02726837766213356,
"volume": 146.69006163702326,
"volume_molar": 22.084704981780753,
"formula_full": "Sr2 Mg2",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy": -6.70377698,
"energy_per_atom": -1.675944245,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.70377698,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005075,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.783000Z",
"spacegroup": 51
}
]
}