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=formation_energy&page=11557",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=11555",
"results": [
{
"id": "mp-21483",
"created_at": "2022-09-04T14:47:11.582260Z",
"structure_string": "Nd3 In1\n1.0\n4.992295 0.000000 0.000000\n0.000000 4.992295 0.000000\n0.000000 0.000000 4.992295\nNd In\n3 1\ndirect\n0.000000 0.500000 0.500000 Nd\n0.500000 0.500000 0.000000 Nd\n0.500000 0.000000 0.500000 Nd\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nd",
"In"
],
"chemical_system": "In-Nd",
"density": 7.307476051211437,
"density_atomic": 0.03214839311246732,
"volume": 124.42301504795209,
"volume_molar": 18.732322760059144,
"formula_full": "Nd3 In1",
"formula_reduced": "Nd3In",
"formula_anonymous": "AB3",
"energy": -18.14352373,
"energy_per_atom": -4.5358809325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.14352373,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024371,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:58.080000Z",
"spacegroup": 221
},
{
"id": "mp-1222945",
"created_at": "2022-09-04T14:47:11.584485Z",
"structure_string": "La1 Ce4\n1.0\n13.868906 -1.699051 0.000000\n13.868906 1.699051 0.000000\n13.660759 0.000000 2.935473\nLa Ce\n1 4\ndirect\n0.000000 0.000000 0.000000 La\n0.598053 0.598053 0.598053 Ce\n0.199469 0.199469 0.199469 Ce\n0.800531 0.800531 0.800531 Ce\n0.401947 0.401947 0.401947 Ce\n",
"nsites": 5,
"nelements": 2,
"elements": [
"La",
"Ce"
],
"chemical_system": "Ce-La",
"density": 8.39458172856335,
"density_atomic": 0.03614209296854405,
"volume": 138.3428459539326,
"volume_molar": 16.662401829471573,
"formula_full": "La1 Ce4",
"formula_reduced": "LaCe4",
"formula_anonymous": "AB4",
"energy": -28.29090824,
"energy_per_atom": -5.658181648,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.29090824,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4671506,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.887000Z",
"spacegroup": 166
},
{
"id": "mp-560117",
"created_at": "2022-09-04T14:47:11.584284Z",
"structure_string": "Cs2 Mn2 P8 O24\n1.0\n13.844090 0.000000 0.000000\n0.000000 5.333265 0.000000\n0.000000 1.602297 7.383620\nCs Mn P O\n2 2 8 24\ndirect\n0.001189 0.383962 0.833893 Cs\n0.501189 0.616038 0.166107 Cs\n0.235235 0.501913 0.486406 Mn\n0.735235 0.498087 0.513594 Mn\n0.875421 0.996579 0.445298 P\n0.819483 0.789538 0.136851 P\n0.375421 0.003421 0.554702 P\n0.178462 0.862022 0.097173 P\n0.095112 0.999889 0.426958 P\n0.595112 0.000111 0.573042 P\n0.678462 0.137978 0.902827 P\n0.319483 0.210462 0.863149 P\n0.154974 0.779804 0.532878 O\n0.104641 0.254809 0.476237 O\n0.612976 0.974425 0.786363 O\n0.985841 0.896648 0.456412 O\n0.866831 0.246925 0.502013 O\n0.848552 0.026967 0.235568 O\n0.112976 0.025575 0.213637 O\n0.623496 0.170491 0.063511 O\n0.123496 0.829509 0.936489 O\n0.239835 0.363149 0.746481 O\n0.366831 0.753075 0.497987 O\n0.604641 0.745191 0.523763 O\n0.654974 0.220196 0.467122 O\n0.485841 0.103352 0.543588 O\n0.269907 0.054598 0.045729 O\n0.906671 0.659883 0.089201 O\n0.720357 0.371804 0.773736 O\n0.769907 0.945402 0.954271 O\n0.406671 0.340117 0.910799 O\n0.820780 0.770069 0.558869 O\n0.320780 0.229931 0.441131 O\n0.348552 0.973033 0.764432 O\n0.739835 0.636851 0.253519 O\n0.220357 0.628196 0.226264 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Cs",
"Mn",
"P",
"O"
],
"chemical_system": "Cs-Mn-O-P",
"density": 3.068676828610609,
"density_atomic": 0.06603521342118808,
"volume": 545.1636806317798,
"volume_molar": 9.119590061122954,
"formula_full": "Cs2 Mn2 P8 O24",
"formula_reduced": "CsMn(PO3)4",
"formula_anonymous": "ABC4D12",
"energy": -274.91636033,
"energy_per_atom": -7.636565564722222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -255.09236033,
"band_gap": 0.9425,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0017674,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:00.577000Z",
"spacegroup": 4
},
{
"id": "mp-2536",
"created_at": "2022-09-04T14:47:11.587192Z",
"structure_string": "Ni4 B2\n1.0\n-2.483645 2.483645 2.128069\n2.483645 -2.483645 2.128069\n2.483645 2.483645 -2.128069\nNi B\n4 2\ndirect\n0.670172 0.170172 0.840344 Ni\n0.329828 0.829828 0.159656 Ni\n0.829828 0.670172 0.500000 Ni\n0.170172 0.329828 0.500000 Ni\n0.750000 0.750000 0.000000 B\n0.250000 0.250000 0.000000 B\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ni",
"B"
],
"chemical_system": "B-Ni",
"density": 8.108395590026472,
"density_atomic": 0.11426849664606703,
"volume": 52.50791054497095,
"volume_molar": 5.2701671385883895,
"formula_full": "Ni4 B2",
"formula_reduced": "Ni2B",
"formula_anonymous": "AB2",
"energy": -38.21764562,
"energy_per_atom": -6.369607603333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.21764562,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044515,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:00.155000Z",
"spacegroup": 140
},
{
"id": "mp-622009",
"created_at": "2022-09-04T14:47:11.720274Z",
"structure_string": "Ta4 Ni8 Te4 Se4\n1.0\n3.514481 0.000000 0.000000\n0.000000 6.495182 0.000000\n0.000000 0.000000 16.553136\nTa Ni Te Se\n4 8 4 4\ndirect\n0.250000 0.908161 0.721296 Ta\n0.750000 0.091839 0.278704 Ta\n0.250000 0.408161 0.778704 Ta\n0.750000 0.591839 0.221296 Ta\n0.750000 0.603339 0.680450 Ni\n0.250000 0.396661 0.319550 Ni\n0.250000 0.896661 0.180450 Ni\n0.250000 0.785629 0.320714 Ni\n0.750000 0.714371 0.820714 Ni\n0.750000 0.103339 0.819550 Ni\n0.750000 0.214371 0.679286 Ni\n0.250000 0.285629 0.179286 Ni\n0.250000 0.909651 0.902911 Te\n0.750000 0.590349 0.402911 Te\n0.750000 0.090349 0.097089 Te\n0.250000 0.409651 0.597089 Te\n0.750000 0.908954 0.599887 Se\n0.250000 0.591046 0.099887 Se\n0.750000 0.408954 0.900113 Se\n0.250000 0.091046 0.400113 Se\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ta",
"Ni",
"Te",
"Se"
],
"chemical_system": "Ni-Se-Ta-Te",
"density": 8.87517807323212,
"density_atomic": 0.05292942643556846,
"volume": 377.861642320009,
"volume_molar": 11.377679989279336,
"formula_full": "Ta4 Ni8 Te4 Se4",
"formula_reduced": "TaNi2TeSe",
"formula_anonymous": "ABCD2",
"energy": -133.12231785999998,
"energy_per_atom": -6.656115892999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -129.54631786,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0142672,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:57.696000Z",
"spacegroup": 62
},
{
"id": "mp-1202588",
"created_at": "2022-09-04T14:47:11.578611Z",
"structure_string": "Zn4 Cu20 P8 O60\n1.0\n8.595333 0.000000 0.000000\n0.000000 10.863533 0.000000\n0.000000 1.203327 11.686825\nZn Cu P O\n4 20 8 60\ndirect\n0.595779 0.168839 0.033178 Zn\n0.095779 0.331161 0.966822 Zn\n0.404221 0.831161 0.966822 Zn\n0.904221 0.668839 0.033178 Zn\n0.908110 0.300639 0.303019 Cu\n0.408110 0.199361 0.696981 Cu\n0.091890 0.699361 0.696981 Cu\n0.591890 0.800639 0.303019 Cu\n0.751713 0.047324 0.289141 Cu\n0.251713 0.452676 0.710859 Cu\n0.248287 0.952676 0.710859 Cu\n0.748287 0.547324 0.289141 Cu\n0.092977 0.059150 0.307235 Cu\n0.592977 0.440850 0.692765 Cu\n0.907023 0.940850 0.692765 Cu\n0.407023 0.559150 0.307235 Cu\n0.262689 0.308342 0.309356 Cu\n0.762689 0.191658 0.690644 Cu\n0.737311 0.691658 0.690644 Cu\n0.237311 0.808342 0.309356 Cu\n0.427139 0.050800 0.289669 Cu\n0.927139 0.449200 0.710331 Cu\n0.572861 0.949200 0.710331 Cu\n0.072861 0.550800 0.289669 Cu\n0.740159 0.423583 0.042801 P\n0.240159 0.076417 0.957199 P\n0.259841 0.576417 0.957199 P\n0.759841 0.923583 0.042801 P\n0.592727 0.321943 0.435717 P\n0.092727 0.178057 0.564283 P\n0.407273 0.678057 0.564283 P\n0.907273 0.821943 0.435717 P\n0.914036 0.152443 0.238600 O\n0.414036 0.347557 0.761400 O\n0.085964 0.847557 0.761400 O\n0.585964 0.652443 0.238600 O\n0.103185 0.186061 0.431895 O\n0.603185 0.313939 0.568105 O\n0.896815 0.813939 0.568105 O\n0.396815 0.686061 0.431895 O\n0.085391 0.341387 0.223074 O\n0.585391 0.158613 0.776926 O\n0.914609 0.658613 0.776926 O\n0.414609 0.841387 0.223074 O\n0.911538 0.453408 0.357042 O\n0.411538 0.046592 0.642958 O\n0.088462 0.546592 0.642958 O\n0.588462 0.953408 0.357042 O\n0.693649 0.418513 0.172772 O\n0.193649 0.081487 0.827228 O\n0.306351 0.581487 0.827228 O\n0.806351 0.918513 0.172772 O\n0.730770 0.250393 0.389561 O\n0.230770 0.249607 0.610439 O\n0.269230 0.749607 0.610439 O\n0.769230 0.750393 0.389561 O\n0.907286 0.964787 0.389464 O\n0.407286 0.535213 0.610536 O\n0.092714 0.035213 0.610536 O\n0.592714 0.464787 0.389464 O\n0.589561 0.128327 0.205528 O\n0.089561 0.371673 0.794472 O\n0.410439 0.871673 0.794472 O\n0.910439 0.628327 0.205528 O\n0.271512 0.157722 0.237548 O\n0.771512 0.342278 0.762452 O\n0.728488 0.842278 0.762452 O\n0.228488 0.657722 0.237548 O\n0.271535 0.961118 0.371722 O\n0.771535 0.538882 0.628278 O\n0.728465 0.038882 0.628278 O\n0.228465 0.461118 0.371722 O\n0.100341 0.931881 0.203439 O\n0.600341 0.568119 0.796561 O\n0.899659 0.068119 0.796561 O\n0.399659 0.431881 0.203439 O\n0.438823 0.261191 0.403074 O\n0.938823 0.238809 0.596926 O\n0.561177 0.738809 0.596926 O\n0.061177 0.761191 0.403074 O\n0.901840 0.366338 0.037387 O\n0.401840 0.133662 0.962613 O\n0.098160 0.633662 0.962613 O\n0.598160 0.866338 0.037387 O\n0.738747 0.559059 0.987383 O\n0.238747 0.940941 0.012617 O\n0.261253 0.440941 0.012617 O\n0.761253 0.059059 0.987383 O\n0.615210 0.344979 0.990639 O\n0.115210 0.155021 0.009361 O\n0.384790 0.655021 0.009361 O\n0.884790 0.844979 0.990639 O\n",
"nsites": 92,
"nelements": 4,
"elements": [
"Zn",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-O-P-Zn",
"density": 4.1698311813782905,
"density_atomic": 0.08430580734577228,
"volume": 1091.265274557786,
"volume_molar": 7.143209880311993,
"formula_full": "Zn4 Cu20 P8 O60",
"formula_reduced": "ZnCu5P2O15",
"formula_anonymous": "AB2C5D15",
"energy": -549.75065358,
"energy_per_atom": -5.975550582391304,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -508.53065358,
"band_gap": 0.0188000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.9934991,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:57.672000Z",
"spacegroup": 14
},
{
"id": "mp-1048666",
"created_at": "2022-09-04T14:47:11.586462Z",
"structure_string": "Ca3 Ti8 S16\n1.0\n3.491527 5.952215 0.000000\n-3.491527 5.952215 0.000000\n0.000000 0.156053 13.596138\nCa Ti S\n3 8 16\ndirect\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Ca\n0.994618 0.994618 0.752015 Ti\n0.005382 0.005382 0.247985 Ti\n0.496674 0.496674 0.747618 Ti\n0.503326 0.503326 0.252382 Ti\n0.509567 0.999566 0.754490 Ti\n0.490433 0.000434 0.245510 Ti\n0.999566 0.509567 0.754490 Ti\n0.000434 0.490433 0.245510 Ti\n0.831091 0.831091 0.354345 S\n0.832126 0.832126 0.859070 S\n0.331466 0.331466 0.356915 S\n0.330928 0.330928 0.857891 S\n0.329704 0.832278 0.357040 S\n0.331260 0.832480 0.854340 S\n0.832278 0.329704 0.357040 S\n0.832480 0.331260 0.854340 S\n0.167722 0.670296 0.642960 S\n0.167520 0.668740 0.145660 S\n0.670296 0.167722 0.642960 S\n0.668740 0.167520 0.145660 S\n0.668534 0.668534 0.643085 S\n0.669072 0.669072 0.142109 S\n0.168909 0.168909 0.645655 S\n0.167874 0.167874 0.140930 S\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"S"
],
"chemical_system": "Ca-S-Ti",
"density": 2.9860218911267356,
"density_atomic": 0.04777758455137852,
"volume": 565.1185645637871,
"volume_molar": 12.60453163663805,
"formula_full": "Ca3 Ti8 S16",
"formula_reduced": "Ca3(TiS2)8",
"formula_anonymous": "A3B8C16",
"energy": -184.36266099,
"energy_per_atom": -6.828246703333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -176.31466099,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.7951381,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.331000Z",
"spacegroup": 12
},
{
"id": "mp-1034470",
"created_at": "2022-09-04T14:47:11.634614Z",
"structure_string": "Sr1 Mg14 C1 O16\n1.0\n8.651821 0.000000 0.000000\n0.000000 8.599386 -0.000000\n0.000000 -0.000000 4.374467\nSr Mg C O\n1 14 1 16\ndirect\n-0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n-0.000000 0.262106 0.500000 Mg\n0.000000 0.737894 0.500000 Mg\n0.500000 0.251762 0.500000 Mg\n0.500000 0.748238 0.500000 Mg\n0.259004 0.000000 0.500000 Mg\n0.247383 0.500000 0.500000 Mg\n0.740996 0.000000 0.500000 Mg\n0.752617 0.500000 0.500000 Mg\n0.253798 0.257425 0.000000 Mg\n0.253798 0.742575 0.000000 Mg\n0.746202 0.257425 0.000000 Mg\n0.746202 0.742575 -0.000000 Mg\n-0.000000 0.500000 0.000000 C\n0.270999 -0.000000 0.000000 O\n0.255958 0.500000 0.000000 O\n0.729001 -0.000000 0.000000 O\n0.744042 0.500000 0.000000 O\n0.248515 0.250493 0.500000 O\n0.248515 0.749507 0.500000 O\n0.751485 0.250493 0.500000 O\n0.751485 0.749507 0.500000 O\n-0.000000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.272327 -0.000000 O\n0.000000 0.727673 0.000000 O\n0.500000 0.254746 0.000000 O\n0.500000 0.745254 -0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"C",
"O"
],
"chemical_system": "C-Mg-O-Sr",
"density": 3.5505061221536494,
"density_atomic": 0.09832180992337483,
"volume": 325.46186878515124,
"volume_molar": 6.124928705740096,
"formula_full": "Sr1 Mg14 C1 O16",
"formula_reduced": "SrMg14CO16",
"formula_anonymous": "ABC14D16",
"energy": -197.14809161,
"energy_per_atom": -6.1608778628125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -186.15609161,
"band_gap": 3.9375,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.015000Z",
"spacegroup": 47
},
{
"id": "mp-1038596",
"created_at": "2022-09-04T14:47:11.639443Z",
"structure_string": "Hf1 Mg30 Cr1 O32\n1.0\n8.609302 0.000000 0.000000\n0.000000 8.609302 0.000000\n0.000000 0.000000 8.657337\nHf Mg Cr O\n1 30 1 32\ndirect\n0.000000 0.000000 0.500000 Hf\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.255519 0.240890 Mg\n0.000000 0.255519 0.759110 Mg\n0.000000 0.744481 0.240890 Mg\n0.000000 0.744481 0.759110 Mg\n0.500000 0.250616 0.247937 Mg\n0.500000 0.250616 0.752063 Mg\n0.500000 0.749384 0.247937 Mg\n0.500000 0.749384 0.752063 Mg\n0.255519 0.000000 0.240890 Mg\n0.255519 0.000000 0.759110 Mg\n0.250616 0.500000 0.247937 Mg\n0.250616 0.500000 0.752063 Mg\n0.744481 0.000000 0.240890 Mg\n0.744481 0.000000 0.759110 Mg\n0.749384 0.500000 0.247937 Mg\n0.749384 0.500000 0.752063 Mg\n0.250509 0.250509 0.000000 Mg\n0.256173 0.256173 0.500000 Mg\n0.250509 0.749491 0.000000 Mg\n0.256173 0.743827 0.500000 Mg\n0.749491 0.250509 0.000000 Mg\n0.743827 0.256173 0.500000 Mg\n0.749491 0.749491 0.000000 Mg\n0.743827 0.743827 0.500000 Mg\n0.000000 0.000000 0.000000 Cr\n0.267414 0.000000 0.000000 O\n0.245769 0.000000 0.500000 O\n0.252453 0.500000 0.000000 O\n0.249210 0.500000 0.500000 O\n0.732586 0.000000 0.000000 O\n0.754231 0.000000 0.500000 O\n0.747547 0.500000 0.000000 O\n0.750790 0.500000 0.500000 O\n0.248905 0.248905 0.250975 O\n0.248905 0.248905 0.749025 O\n0.248905 0.751095 0.250975 O\n0.248905 0.751095 0.749025 O\n0.751095 0.248905 0.250975 O\n0.751095 0.248905 0.749025 O\n0.751095 0.751095 0.250975 O\n0.751095 0.751095 0.749025 O\n0.000000 0.000000 0.264741 O\n0.000000 0.000000 0.735259 O\n0.000000 0.500000 0.255163 O\n0.000000 0.500000 0.744837 O\n0.500000 0.000000 0.255163 O\n0.500000 0.000000 0.744837 O\n0.500000 0.500000 0.252006 O\n0.500000 0.500000 0.747994 O\n0.000000 0.267414 0.000000 O\n0.000000 0.245769 0.500000 O\n0.000000 0.732586 0.000000 O\n0.000000 0.754231 0.500000 O\n0.500000 0.252453 0.000000 O\n0.500000 0.249210 0.500000 O\n0.500000 0.747547 0.000000 O\n0.500000 0.750790 0.500000 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Hf",
"Mg",
"Cr",
"O"
],
"chemical_system": "Cr-Hf-Mg-O",
"density": 3.8082342606450927,
"density_atomic": 0.09973779571608751,
"volume": 641.6825190540774,
"volume_molar": 6.037972582773494,
"formula_full": "Hf1 Mg30 Cr1 O32",
"formula_reduced": "HfMg30CrO32",
"formula_anonymous": "ABC30D32",
"energy": -415.26086547,
"energy_per_atom": -6.48845102296875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -391.27786547,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0930852,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.549000Z",
"spacegroup": 123
},
{
"id": "mp-610631",
"created_at": "2022-09-04T14:47:11.660651Z",
"structure_string": "La2 Ge2 Au2\n1.0\n2.278034 -3.945670 0.000000\n2.278034 3.945670 0.000000\n0.000000 0.000000 8.191782\nLa Ge Au\n2 2 2\ndirect\n0.000000 0.000000 0.009403 La\n0.000000 0.000000 0.509403 La\n0.333333 0.666667 0.778144 Ge\n0.666667 0.333333 0.278144 Ge\n0.666667 0.333333 0.749353 Au\n0.333333 0.666667 0.249353 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Ge",
"Au"
],
"chemical_system": "Au-Ge-La",
"density": 9.212862925670525,
"density_atomic": 0.0407438352338104,
"volume": 147.26154191348752,
"volume_molar": 14.780495565627694,
"formula_full": "La2 Ge2 Au2",
"formula_reduced": "LaGeAu",
"formula_anonymous": "ABC",
"energy": -30.92757694,
"energy_per_atom": -5.154596156666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.92757694,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.8e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:55.696000Z",
"spacegroup": 186
},
{
"id": "mp-1215509",
"created_at": "2022-09-04T14:47:11.674429Z",
"structure_string": "Zn2 Pd4\n1.0\n3.061638 0.000000 0.000000\n0.000000 3.061638 0.000000\n0.000000 0.000000 9.566116\nZn Pd\n2 4\ndirect\n0.500000 0.500000 0.334190 Zn\n0.500000 0.500000 0.665810 Zn\n0.000000 0.000000 0.814135 Pd\n0.000000 0.000000 0.185865 Pd\n0.000000 0.000000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zn",
"Pd"
],
"chemical_system": "Pd-Zn",
"density": 10.30550749100813,
"density_atomic": 0.06691260353374037,
"volume": 89.66920554771909,
"volume_molar": 9.000009627428954,
"formula_full": "Zn2 Pd4",
"formula_reduced": "ZnPd2",
"formula_anonymous": "AB2",
"energy": -25.72694945,
"energy_per_atom": -4.2878249083333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.72694945,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004872,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.778000Z",
"spacegroup": 123
},
{
"id": "mp-1517893",
"created_at": "2022-09-04T14:47:11.681971Z",
"structure_string": "Na1 Sr1 Nb1 Bi1 O6\n1.0\n0.000000 -4.209668 -4.209668\n4.209668 0.000000 -4.209668\n4.209668 -4.209668 0.000000\nNa Sr Nb Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Bi\n0.737594 0.262406 0.262406 O\n0.262406 0.737594 0.737594 O\n0.737594 0.262406 0.737594 O\n0.262406 0.737594 0.262406 O\n0.737594 0.737594 0.262406 O\n0.262406 0.262406 0.737594 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Sr",
"Nb",
"Bi",
"O"
],
"chemical_system": "Bi-Na-Nb-O-Sr",
"density": 5.659271102788121,
"density_atomic": 0.06702340168142937,
"volume": 149.201618376985,
"volume_molar": 8.985131474860065,
"formula_full": "Na1 Sr1 Nb1 Bi1 O6",
"formula_reduced": "NaSrNbBiO6",
"formula_anonymous": "ABCDE6",
"energy": -70.97898463,
"energy_per_atom": -7.097898463,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.85698463,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001507,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.481000Z",
"spacegroup": 216
}
]
}