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=10261",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=10259",
"results": [
{
"id": "mp-721686",
"created_at": "2022-09-04T14:46:29.651453Z",
"structure_string": "Sn4 H16 Cl8 O8\n1.0\n7.223469 0.000000 0.000000\n0.000000 8.998451 0.000000\n0.000000 3.793371 8.435616\nSn H Cl O\n4 16 8 8\ndirect\n0.755243 0.965428 0.379910 Sn\n0.255243 0.534572 0.620090 Sn\n0.244757 0.034572 0.620090 Sn\n0.744757 0.465428 0.379910 Sn\n0.530199 0.094362 0.101604 H\n0.030199 0.405638 0.898396 H\n0.469801 0.905638 0.898396 H\n0.969801 0.594362 0.101604 H\n0.700691 0.014786 0.049701 H\n0.200691 0.485214 0.950299 H\n0.299309 0.985214 0.950299 H\n0.799309 0.514786 0.049701 H\n0.751318 0.794774 0.990514 H\n0.251318 0.705226 0.009486 H\n0.248682 0.205226 0.009486 H\n0.748682 0.294774 0.990514 H\n0.791278 0.961973 0.843630 H\n0.291278 0.538027 0.156370 H\n0.208722 0.038027 0.156370 H\n0.708722 0.461973 0.843630 H\n0.991602 0.815617 0.282816 Cl\n0.491602 0.684383 0.717184 Cl\n0.008398 0.184383 0.717184 Cl\n0.508398 0.315617 0.282816 Cl\n0.002050 0.196305 0.307600 Cl\n0.502050 0.303695 0.692400 Cl\n0.997950 0.803695 0.692400 Cl\n0.497950 0.696305 0.307600 Cl\n0.669202 0.086234 0.106453 O\n0.169202 0.413766 0.893547 O\n0.330798 0.913766 0.893547 O\n0.830798 0.586234 0.106453 O\n0.704278 0.907664 0.932346 O\n0.204278 0.592336 0.067654 O\n0.295722 0.092336 0.067654 O\n0.795722 0.407664 0.932346 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Sn",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-O-Sn",
"density": 2.7334267142739135,
"density_atomic": 0.06565565365840882,
"volume": 548.3153086450052,
"volume_molar": 9.172311026452961,
"formula_full": "Sn4 H16 Cl8 O8",
"formula_reduced": "SnH4(ClO)2",
"formula_anonymous": "AB2C2D4",
"energy": -172.0782125,
"energy_per_atom": -4.779950347222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -161.6702125,
"band_gap": 3.8242,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007403,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:31.986000Z",
"spacegroup": 14
},
{
"id": "mp-21604",
"created_at": "2022-09-04T14:46:33.554293Z",
"structure_string": "Sm12 In4 S24\n1.0\n3.935221 0.000000 0.000000\n0.000000 13.734684 0.000000\n0.000000 0.000000 16.717135\nSm In S\n12 4 24\ndirect\n0.500000 0.688170 0.353842 Sm\n0.500000 0.311830 0.646158 Sm\n0.000000 0.188170 0.146158 Sm\n0.000000 0.811830 0.853842 Sm\n0.000000 0.748403 0.106472 Sm\n0.000000 0.251597 0.893528 Sm\n0.500000 0.248403 0.393528 Sm\n0.500000 0.751597 0.606472 Sm\n0.000000 0.959346 0.276793 Sm\n0.000000 0.040654 0.723207 Sm\n0.500000 0.459346 0.223207 Sm\n0.500000 0.540654 0.776793 Sm\n0.000000 0.500000 0.000000 In\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.000000 0.000000 In\n0.000000 0.978599 0.104025 S\n0.000000 0.021401 0.895975 S\n0.500000 0.478599 0.395975 S\n0.500000 0.521401 0.604025 S\n0.000000 0.690413 0.480089 S\n0.000000 0.309587 0.519911 S\n0.500000 0.190413 0.019911 S\n0.500000 0.809587 0.980089 S\n0.500000 0.887757 0.384071 S\n0.500000 0.112243 0.615929 S\n0.000000 0.387757 0.115929 S\n0.000000 0.612243 0.884071 S\n0.000000 0.611378 0.252743 S\n0.000000 0.388622 0.747257 S\n0.500000 0.111378 0.247257 S\n0.500000 0.888622 0.752743 S\n0.000000 0.905079 0.585275 S\n0.000000 0.094921 0.414725 S\n0.500000 0.405079 0.914725 S\n0.500000 0.594921 0.085275 S\n0.000000 0.682243 0.714107 S\n0.000000 0.317757 0.285893 S\n0.500000 0.182243 0.785893 S\n0.500000 0.817757 0.214107 S\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Sm",
"In",
"S"
],
"chemical_system": "In-S-Sm",
"density": 5.5743421690287125,
"density_atomic": 0.044270083659368874,
"volume": 903.5447122209087,
"volume_molar": 13.603183599870011,
"formula_full": "Sm12 In4 S24",
"formula_reduced": "Sm3InS6",
"formula_anonymous": "AB3C6",
"energy": -246.58680749,
"energy_per_atom": -6.1646701872500005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -234.51480749,
"band_gap": 0.9909,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0015944,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:37.622000Z",
"spacegroup": 58
},
{
"id": "mp-1020654",
"created_at": "2022-09-04T14:46:29.662562Z",
"structure_string": "Sr4 Be4 B8 O20\n1.0\n3.888491 0.000000 0.000000\n0.000000 5.275570 0.000000\n0.000000 2.921651 17.502637\nSr Be B O\n4 4 8 20\ndirect\n0.646920 0.784078 0.928284 Sr\n0.853080 0.784078 0.428284 Sr\n0.353080 0.215922 0.071716 Sr\n0.146920 0.215922 0.571716 Sr\n0.763186 0.892020 0.713688 Be\n0.736814 0.892020 0.213688 Be\n0.236814 0.107980 0.286312 Be\n0.263186 0.107980 0.786312 Be\n0.011574 0.297562 0.900644 B\n0.488426 0.297562 0.400644 B\n0.988426 0.702438 0.099356 B\n0.511574 0.702438 0.599356 B\n0.278669 0.597092 0.785589 B\n0.221331 0.597092 0.285589 B\n0.721331 0.402908 0.214411 B\n0.778669 0.402908 0.714411 B\n0.129065 0.540919 0.864647 O\n0.370935 0.540919 0.364647 O\n0.870935 0.459081 0.135353 O\n0.629065 0.459081 0.635353 O\n0.466588 0.840908 0.779567 O\n0.033412 0.840908 0.279567 O\n0.533412 0.159092 0.220433 O\n0.966588 0.159092 0.720433 O\n0.116777 0.081718 0.872578 O\n0.383223 0.081718 0.372578 O\n0.883223 0.918282 0.127422 O\n0.616777 0.918282 0.627422 O\n0.001114 0.625296 0.726286 O\n0.498886 0.625296 0.226286 O\n0.998886 0.374704 0.273714 O\n0.501114 0.374704 0.773714 O\n0.805965 0.282867 0.963731 O\n0.694035 0.282867 0.463731 O\n0.194035 0.717133 0.036269 O\n0.305965 0.717133 0.536269 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Sr",
"Be",
"B",
"O"
],
"chemical_system": "B-Be-O-Sr",
"density": 3.6675065684897072,
"density_atomic": 0.1002648081118221,
"volume": 359.04920857027287,
"volume_molar": 6.006235760491061,
"formula_full": "Sr4 Be4 B8 O20",
"formula_reduced": "SrBeB2O5",
"formula_anonymous": "ABC2D5",
"energy": -286.66838489,
"energy_per_atom": -7.96301069138889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -272.92838489,
"band_gap": 5.3673,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021032,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:37.315000Z",
"spacegroup": 14
},
{
"id": "mp-13696",
"created_at": "2022-09-04T14:46:27.415976Z",
"structure_string": "Eu1 Cu1 O2\n1.0\n5.811631 -1.853906 0.000000\n5.811631 1.853906 0.000000\n5.220237 0.000000 3.156129\nEu Cu O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Eu\n0.000000 0.000000 0.000000 Cu\n0.895341 0.895341 0.895341 O\n0.104659 0.104659 0.104659 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Eu",
"Cu",
"O"
],
"chemical_system": "Cu-Eu-O",
"density": 6.043231885574198,
"density_atomic": 0.05881519052708389,
"volume": 68.00964111742586,
"volume_molar": 10.239090796155555,
"formula_full": "Eu1 Cu1 O2",
"formula_reduced": "EuCuO2",
"formula_anonymous": "ABC2",
"energy": -33.42502382,
"energy_per_atom": -8.356255955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.05102382,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9998935,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:36.842000Z",
"spacegroup": 166
},
{
"id": "mp-1105600",
"created_at": "2022-09-04T14:46:27.439428Z",
"structure_string": "Lu10 Ir6\n1.0\n0.000000 0.000000 -6.082548\n-4.082082 -7.070373 0.000000\n-4.083727 7.071322 0.000000\nLu Ir\n10 6\ndirect\n0.500000 0.333328 0.666685 Lu\n0.500000 0.666643 0.333315 Lu\n0.000000 0.666672 0.333315 Lu\n0.000000 0.333357 0.666685 Lu\n0.750014 0.258258 0.000000 Lu\n0.749998 0.741688 0.741673 Lu\n0.749998 0.000014 0.258327 Lu\n0.250014 0.741742 0.000000 Lu\n0.249998 0.258312 0.258327 Lu\n0.249998 0.999986 0.741673 Lu\n0.750005 0.609165 0.000000 Ir\n0.749992 0.390966 0.390887 Ir\n0.749992 0.000079 0.609113 Ir\n0.250005 0.390835 0.000000 Ir\n0.249993 0.609034 0.609113 Ir\n0.249993 0.999921 0.390887 Ir\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Lu",
"Ir"
],
"chemical_system": "Ir-Lu",
"density": 13.725738396762527,
"density_atomic": 0.04555790613966962,
"volume": 351.20139083977733,
"volume_molar": 13.218651317155711,
"formula_full": "Lu10 Ir6",
"formula_reduced": "Lu5Ir3",
"formula_anonymous": "A3B5",
"energy": -112.39916544,
"energy_per_atom": -7.02494784,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -112.39916544,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.004311,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:39.139000Z",
"spacegroup": 193
},
{
"id": "mp-1071862",
"created_at": "2022-09-04T14:47:00.723026Z",
"structure_string": "Y2 Al2 Zn2\n1.0\n2.251194 -3.899182 0.000000\n2.251194 3.899182 0.000000\n0.000000 0.000000 7.115710\nY Al Zn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.333333 0.666667 0.250000 Al\n0.666667 0.333333 0.750000 Al\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Al",
"Zn"
],
"chemical_system": "Al-Y-Zn",
"density": 4.819850645843678,
"density_atomic": 0.04803044219295316,
"volume": 124.92077370214794,
"volume_molar": 12.538174718040686,
"formula_full": "Y2 Al2 Zn2",
"formula_reduced": "YAlZn",
"formula_anonymous": "ABC",
"energy": -25.78778687,
"energy_per_atom": -4.297964478333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.78778687,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003038,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:53.892000Z",
"spacegroup": 194
},
{
"id": "mp-1198265",
"created_at": "2022-09-04T14:46:32.434323Z",
"structure_string": "Zr2 Cu4 O24 F16\n1.0\n-6.317148 -4.317394 3.951485\n6.317148 -4.317394 -3.951485\n5.874352 4.317394 6.823225\nZr Cu O F\n2 4 24 16\ndirect\n0.997618 0.247618 0.750000 Zr\n0.002382 0.752382 0.250000 Zr\n0.652754 0.590275 0.757053 Cu\n0.333222 0.895700 0.742947 Cu\n0.347246 0.409725 0.242947 Cu\n0.666778 0.104300 0.257053 Cu\n0.773087 0.676786 0.637580 O\n0.539206 0.135507 0.862420 O\n0.226913 0.323214 0.362420 O\n0.460794 0.864493 0.137580 O\n0.548599 0.516256 0.888315 O\n0.127941 0.660283 0.611685 O\n0.451401 0.483744 0.111685 O\n0.872059 0.339717 0.388315 O\n0.562365 0.357224 0.642692 O\n0.214533 0.919673 0.857308 O\n0.437635 0.642776 0.357308 O\n0.785467 0.080327 0.142692 O\n0.714424 0.819847 0.855764 O\n0.464082 0.858659 0.644236 O\n0.285576 0.180153 0.144236 O\n0.535918 0.141341 0.355764 O\n0.989072 0.684707 0.879481 O\n0.305225 0.109591 0.620519 O\n0.010928 0.315293 0.120519 O\n0.694775 0.890409 0.379481 O\n0.385382 0.563273 0.598524 O\n0.464749 0.786858 0.901476 O\n0.614618 0.436727 0.401476 O\n0.535251 0.213142 0.098524 O\n0.713880 0.125076 0.572890 F\n0.052185 0.140989 0.927110 F\n0.286120 0.874924 0.427110 F\n0.947815 0.859011 0.072890 F\n0.238689 0.505427 0.918951 F\n0.086476 0.319738 0.581049 F\n0.761311 0.494573 0.081049 F\n0.913524 0.680262 0.418951 F\n0.830996 0.256714 0.863561 F\n0.893153 0.967434 0.636439 F\n0.169004 0.743286 0.136439 F\n0.106847 0.032566 0.363561 F\n0.952537 0.481141 0.711342 F\n0.269799 0.241194 0.788658 F\n0.047463 0.518859 0.288658 F\n0.730201 0.758806 0.211342 F\n",
"nsites": 46,
"nelements": 4,
"elements": [
"Zr",
"Cu",
"O",
"F"
],
"chemical_system": "Cu-F-O-Zr",
"density": 3.261187986987703,
"density_atomic": 0.08033218108392448,
"volume": 572.622321208271,
"volume_molar": 7.496548305726394,
"formula_full": "Zr2 Cu4 O24 F16",
"formula_reduced": "ZrCu2(O3F2)4",
"formula_anonymous": "AB2C8D12",
"energy": -204.32928981,
"energy_per_atom": -4.441941082826087,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -180.44928981,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 43.9887744,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:37.177000Z",
"spacegroup": 15
},
{
"id": "mp-1298",
"created_at": "2022-09-04T14:46:27.654731Z",
"structure_string": "K1 Au5\n1.0\n2.897950 -5.019397 0.000000\n2.897950 5.019397 0.000000\n0.000000 0.000000 4.592511\nK Au\n1 5\ndirect\n0.000000 0.000000 0.000000 K\n0.666667 0.333333 0.000000 Au\n0.500000 0.000000 0.500000 Au\n0.500000 0.500000 0.500000 Au\n0.000000 0.500000 0.500000 Au\n0.333333 0.666667 0.000000 Au\n",
"nsites": 6,
"nelements": 2,
"elements": [
"K",
"Au"
],
"chemical_system": "Au-K",
"density": 12.726155189080208,
"density_atomic": 0.04490850675827238,
"volume": 133.60497672069152,
"volume_molar": 13.409799600808793,
"formula_full": "K1 Au5",
"formula_reduced": "KAu5",
"formula_anonymous": "AB5",
"energy": -18.83933026,
"energy_per_atom": -3.1398883766666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.83933026,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.69e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:38.766000Z",
"spacegroup": 191
},
{
"id": "mp-4701",
"created_at": "2022-09-04T14:46:35.703723Z",
"structure_string": "Cu1 Sn1 F6\n1.0\n5.177802 -0.028198 0.017700\n2.464647 3.983124 2.419327\n0.002503 0.003663 5.493564\nCu Sn F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Sn\n0.755469 0.875265 0.246539 F\n0.244531 0.124735 0.753461 F\n0.606197 0.532582 0.734321 F\n0.393803 0.467418 0.265679 F\n0.129314 0.115119 0.247476 F\n0.870686 0.884881 0.752524 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"Sn",
"F"
],
"chemical_system": "Cu-F-Sn",
"density": 4.329061728986704,
"density_atomic": 0.07040144261010184,
"volume": 113.63403509081058,
"volume_molar": 8.554001930545509,
"formula_full": "Cu1 Sn1 F6",
"formula_reduced": "CuSnF6",
"formula_anonymous": "ABC6",
"energy": -38.97539299,
"energy_per_atom": -4.87192412375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.20339299,
"band_gap": 0.2989,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9990619,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:38.148000Z",
"spacegroup": 2
},
{
"id": "mp-1197381",
"created_at": "2022-09-04T14:46:35.106713Z",
"structure_string": "As4 H40 C12 I4\n1.0\n6.633578 0.000000 0.000000\n0.000000 8.794416 0.000000\n0.000000 0.000000 14.545309\nAs H C I\n4 40 12 4\ndirect\n0.052795 0.750000 0.098938 As\n0.447205 0.750000 0.598938 As\n0.947205 0.250000 0.901062 As\n0.552795 0.250000 0.401062 As\n0.103216 0.750000 0.997634 H\n0.396784 0.750000 0.497634 H\n0.896784 0.250000 0.002366 H\n0.603216 0.250000 0.502366 H\n0.869217 0.580300 0.204455 H\n0.630783 0.919700 0.704455 H\n0.130783 0.080300 0.795545 H\n0.369217 0.419700 0.295545 H\n0.130783 0.419700 0.795545 H\n0.369217 0.080300 0.295545 H\n0.869217 0.919700 0.204455 H\n0.630783 0.580300 0.704455 H\n0.003309 0.471322 0.118959 H\n0.496691 0.028678 0.618959 H\n0.996691 0.971322 0.881041 H\n0.503309 0.528678 0.381041 H\n0.996691 0.528678 0.881041 H\n0.503309 0.971322 0.381041 H\n0.003309 0.028678 0.118959 H\n0.496691 0.471322 0.618959 H\n0.767639 0.563474 0.088814 H\n0.732361 0.936526 0.588814 H\n0.232361 0.063474 0.911186 H\n0.267639 0.436526 0.411186 H\n0.232361 0.436526 0.911186 H\n0.267639 0.063474 0.411186 H\n0.767639 0.936526 0.088814 H\n0.732361 0.563474 0.588814 H\n0.385755 0.852973 0.148635 H\n0.114245 0.647027 0.648635 H\n0.614245 0.352973 0.851365 H\n0.885755 0.147027 0.351365 H\n0.614245 0.147027 0.851365 H\n0.885755 0.352973 0.351365 H\n0.385755 0.647027 0.148635 H\n0.114245 0.852973 0.648635 H\n0.259435 0.750000 0.240094 H\n0.240565 0.750000 0.740094 H\n0.740565 0.250000 0.759906 H\n0.759435 0.250000 0.259906 H\n0.904488 0.569397 0.130816 C\n0.595512 0.930603 0.630816 C\n0.095512 0.069397 0.869184 C\n0.404488 0.430603 0.369184 C\n0.095512 0.430603 0.869184 C\n0.404488 0.069397 0.369184 C\n0.904488 0.930603 0.130816 C\n0.595512 0.569397 0.630816 C\n0.301657 0.750000 0.167170 C\n0.198343 0.750000 0.667170 C\n0.698343 0.250000 0.832830 C\n0.801657 0.250000 0.332830 C\n0.884367 0.750000 0.399332 I\n0.615633 0.750000 0.899332 I\n0.115633 0.250000 0.600668 I\n0.384367 0.250000 0.100668 I\n",
"nsites": 60,
"nelements": 4,
"elements": [
"As",
"H",
"C",
"I"
],
"chemical_system": "As-C-H-I",
"density": 1.940768042125998,
"density_atomic": 0.07070879780078114,
"volume": 848.5507018383668,
"volume_molar": 8.516819614112393,
"formula_full": "As4 H40 C12 I4",
"formula_reduced": "AsH10C3I",
"formula_anonymous": "ABC3D10",
"energy": -280.87772368000003,
"energy_per_atom": -4.681295394666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -279.36172368,
"band_gap": 3.498,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0016934,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:41.586000Z",
"spacegroup": 62
},
{
"id": "mp-21039",
"created_at": "2022-09-04T14:46:27.374820Z",
"structure_string": "Pb1 S1\n1.0\n3.653659 0.000000 0.000000\n0.000000 3.653659 0.000000\n0.000000 0.000000 3.653659\nPb S\n1 1\ndirect\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pb",
"S"
],
"chemical_system": "Pb-S",
"density": 8.145996822982355,
"density_atomic": 0.04100586338617464,
"volume": 48.77351273316468,
"volume_molar": 14.686047951938502,
"formula_full": "Pb1 S1",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy": -8.90070914,
"energy_per_atom": -4.45035457,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.39770914,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016701,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:35.103000Z",
"spacegroup": 221
},
{
"id": "mp-11578",
"created_at": "2022-09-04T14:46:35.799087Z",
"structure_string": "V1 Zn3\n1.0\n3.831836 0.000000 0.000000\n0.000000 3.831836 0.000000\n0.000000 0.000000 3.831836\nV Zn\n1 3\ndirect\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"V",
"Zn"
],
"chemical_system": "V-Zn",
"density": 7.294935890206952,
"density_atomic": 0.07109503157754136,
"volume": 56.262722038984,
"volume_molar": 8.470550791487897,
"formula_full": "V1 Zn3",
"formula_reduced": "VZn3",
"formula_anonymous": "AB3",
"energy": -13.07066264,
"energy_per_atom": -3.26766566,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.07066264,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0059441,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:41.080000Z",
"spacegroup": 221
}
]
}