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_per_atom&page=12122",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=12120",
"results": [
{
"id": "mp-1238793",
"created_at": "2022-09-04T14:48:28.020308Z",
"structure_string": "Cs2 Hf1 Br6\n1.0\n0.000000 5.572002 5.572002\n5.572002 0.000000 5.572002\n5.572002 5.572002 0.000000\nCs Hf Br\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 Hf\n0.764317 0.235683 0.764317 Br\n0.235683 0.235683 0.764317 Br\n0.764317 0.764317 0.235683 Br\n0.235683 0.764317 0.235683 Br\n0.235683 0.764317 0.764317 Br\n0.764317 0.235683 0.235683 Br\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Cs",
"Hf",
"Br"
],
"chemical_system": "Br-Cs-Hf",
"density": 4.433308599996832,
"density_atomic": 0.026012298130088745,
"volume": 345.99019106234175,
"volume_molar": 23.151129246185736,
"formula_full": "Cs2 Hf1 Br6",
"formula_reduced": "Cs2HfBr6",
"formula_anonymous": "AB2C6",
"energy": -40.01159961,
"energy_per_atom": -4.44573329,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.80759961,
"band_gap": 3.2973,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001519,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:13.988000Z",
"spacegroup": 225
},
{
"id": "mp-9348",
"created_at": "2022-09-04T14:48:28.021094Z",
"structure_string": "K1 Rb2 Sc1 F6\n1.0\n-3.208500 3.208500 4.646601\n3.208500 -3.208500 4.646601\n3.208500 3.208500 -4.646601\nK Rb Sc F\n1 2 1 6\ndirect\n0.500000 0.500000 0.000000 K\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.000000 0.000000 0.000000 Sc\n0.159696 0.275281 0.434976 F\n0.724719 0.159696 0.884415 F\n0.275281 0.840304 0.115585 F\n0.840304 0.724719 0.565024 F\n0.779771 0.779771 0.000000 F\n0.220229 0.220229 0.000000 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Sc",
"F"
],
"chemical_system": "F-K-Rb-Sc",
"density": 3.202231578640669,
"density_atomic": 0.05226374664203246,
"volume": 191.33722020528901,
"volume_molar": 11.522596727033664,
"formula_full": "K1 Rb2 Sc1 F6",
"formula_reduced": "KRb2ScF6",
"formula_anonymous": "ABC2D6",
"energy": -56.57269792,
"energy_per_atom": -5.657269792,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.80069792,
"band_gap": 6.517799999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:19.947000Z",
"spacegroup": 87
},
{
"id": "mp-1556",
"created_at": "2022-09-04T14:48:28.032801Z",
"structure_string": "Pu1 Te1\n1.0\n0.000000 3.148807 3.148807\n3.148807 0.000000 3.148807\n3.148807 3.148807 0.000000\nPu Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"Te"
],
"chemical_system": "Pu-Te",
"density": 9.882269206113875,
"density_atomic": 0.032030363944024455,
"volume": 62.44075164101024,
"volume_molar": 18.801349777118233,
"formula_full": "Pu1 Te1",
"formula_reduced": "PuTe",
"formula_anonymous": "AB",
"energy": -20.08764773,
"energy_per_atom": -10.043823865,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.66564773,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.916193,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:31.115000Z",
"spacegroup": 225
},
{
"id": "mp-1209527",
"created_at": "2022-09-04T14:48:28.034706Z",
"structure_string": "Pr12 Sn24 Pd16\n1.0\n4.641355 0.000000 0.000000\n0.000000 15.843740 0.000000\n0.000000 0.000000 16.958575\nPr Sn Pd\n12 24 16\ndirect\n0.250000 0.752684 0.384668 Pr\n0.750000 0.247316 0.615332 Pr\n0.750000 0.252684 0.115332 Pr\n0.250000 0.747316 0.884668 Pr\n0.250000 0.618832 0.642823 Pr\n0.750000 0.381168 0.357177 Pr\n0.750000 0.118832 0.857177 Pr\n0.250000 0.881168 0.142823 Pr\n0.250000 0.016251 0.350109 Pr\n0.750000 0.983749 0.649891 Pr\n0.750000 0.516251 0.149891 Pr\n0.250000 0.483749 0.850109 Pr\n0.250000 0.539224 0.449605 Sn\n0.750000 0.460776 0.550395 Sn\n0.750000 0.039224 0.050395 Sn\n0.250000 0.960776 0.949605 Sn\n0.250000 0.106019 0.170331 Sn\n0.750000 0.893981 0.829669 Sn\n0.750000 0.606019 0.329669 Sn\n0.250000 0.393981 0.670331 Sn\n0.250000 0.379288 0.206520 Sn\n0.750000 0.620712 0.793480 Sn\n0.750000 0.879288 0.293480 Sn\n0.250000 0.120712 0.706520 Sn\n0.250000 0.229993 0.442885 Sn\n0.750000 0.770007 0.557115 Sn\n0.750000 0.729993 0.057115 Sn\n0.250000 0.270007 0.942885 Sn\n0.250000 0.580110 0.025634 Sn\n0.750000 0.419890 0.974366 Sn\n0.750000 0.080110 0.474366 Sn\n0.250000 0.919890 0.525634 Sn\n0.250000 0.662324 0.189569 Sn\n0.750000 0.337676 0.810431 Sn\n0.750000 0.162324 0.310431 Sn\n0.250000 0.837676 0.689569 Sn\n0.250000 0.399959 0.047657 Pd\n0.750000 0.600041 0.952343 Pd\n0.750000 0.899959 0.452343 Pd\n0.250000 0.100041 0.547657 Pd\n0.250000 0.233143 0.282211 Pd\n0.750000 0.766857 0.717789 Pd\n0.750000 0.733143 0.217789 Pd\n0.250000 0.266857 0.782211 Pd\n0.250000 0.121839 0.009540 Pd\n0.750000 0.878161 0.990460 Pd\n0.750000 0.621839 0.490460 Pd\n0.250000 0.378161 0.509540 Pd\n0.250000 0.525200 0.292040 Pd\n0.750000 0.474800 0.707960 Pd\n0.750000 0.025200 0.207960 Pd\n0.250000 0.974800 0.792040 Pd\n",
"nsites": 52,
"nelements": 3,
"elements": [
"Pr",
"Sn",
"Pd"
],
"chemical_system": "Pd-Pr-Sn",
"density": 8.312398562523653,
"density_atomic": 0.04169764168377911,
"volume": 1247.0729254750306,
"volume_molar": 14.442401336914664,
"formula_full": "Pr12 Sn24 Pd16",
"formula_reduced": "Pr3(Sn3Pd2)2",
"formula_anonymous": "A3B4C6",
"energy": -277.1358249,
"energy_per_atom": -5.329535094230769,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -277.1358249,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0036403,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:17.209000Z",
"spacegroup": 62
},
{
"id": "mp-31064",
"created_at": "2022-09-04T14:48:28.036550Z",
"structure_string": "B12 H20 N2\n1.0\n0.000000 5.497930 5.497930\n5.497930 0.000000 5.497930\n5.497930 5.497930 0.000000\nB H N\n12 20 2\ndirect\n0.050490 0.949510 0.211738 B\n0.211738 0.788262 0.050490 B\n0.949510 0.050490 0.788262 B\n0.788262 0.949510 0.050490 B\n0.788262 0.050490 0.211738 B\n0.949510 0.788262 0.211738 B\n0.211738 0.949510 0.788262 B\n0.050490 0.788262 0.949510 B\n0.211738 0.050490 0.949510 B\n0.050490 0.211738 0.788262 B\n0.949510 0.211738 0.050490 B\n0.788262 0.211738 0.949510 B\n0.195713 0.195713 0.412860 H\n0.195713 0.195713 0.195713 H\n0.412860 0.195713 0.195713 H\n0.195713 0.412860 0.195713 H\n0.804287 0.804287 0.587140 H\n0.804287 0.804287 0.804287 H\n0.587140 0.804287 0.804287 H\n0.804287 0.587140 0.804287 H\n0.087363 0.912637 0.362093 H\n0.362093 0.637907 0.087363 H\n0.912637 0.087363 0.637907 H\n0.637907 0.912637 0.087363 H\n0.637907 0.087363 0.362093 H\n0.912637 0.637907 0.362093 H\n0.637907 0.362093 0.912637 H\n0.912637 0.362093 0.087363 H\n0.087363 0.362093 0.637907 H\n0.362093 0.087363 0.912637 H\n0.087363 0.637907 0.912637 H\n0.362093 0.912637 0.637907 H\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n",
"nsites": 34,
"nelements": 3,
"elements": [
"B",
"H",
"N"
],
"chemical_system": "B-H-N",
"density": 0.8888074468848521,
"density_atomic": 0.10229426898741104,
"volume": 332.3744363839606,
"volume_molar": 5.887075414499635,
"formula_full": "B12 H20 N2",
"formula_reduced": "B6H10N",
"formula_anonymous": "AB6C10",
"energy": -178.04271699,
"energy_per_atom": -5.236550499705882,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -173.74071699,
"band_gap": 5.6566,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.38e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:26.524000Z",
"spacegroup": 202
},
{
"id": "mp-643683",
"created_at": "2022-09-04T14:48:28.040895Z",
"structure_string": "Ba10 Ga12 H4\n1.0\n3.903739 -6.761475 0.000000\n3.903739 6.761475 0.000000\n0.000000 0.000000 14.468098\nBa Ga H\n10 12 4\ndirect\n0.690837 0.022841 0.763084 Ba\n0.977159 0.667996 0.763084 Ba\n0.332004 0.309163 0.763084 Ba\n0.977159 0.309163 0.263084 Ba\n0.332004 0.022841 0.263084 Ba\n0.690837 0.667996 0.263084 Ba\n0.666667 0.333333 0.530886 Ba\n0.666667 0.333333 0.030886 Ba\n0.000000 0.000000 0.498386 Ba\n0.000000 0.000000 0.998386 Ba\n0.141451 0.458883 0.589409 Ga\n0.541117 0.682568 0.589409 Ga\n0.317432 0.858549 0.589409 Ga\n0.541117 0.858549 0.089409 Ga\n0.317432 0.458883 0.089409 Ga\n0.141451 0.682568 0.089409 Ga\n0.125605 0.473826 0.934005 Ga\n0.526174 0.651779 0.934005 Ga\n0.348221 0.874395 0.934005 Ga\n0.526174 0.874395 0.434005 Ga\n0.348221 0.473826 0.434005 Ga\n0.125605 0.651779 0.434005 Ga\n0.000000 0.000000 0.816367 H\n0.000000 0.000000 0.316367 H\n0.666667 0.333333 0.718704 H\n0.666667 0.333333 0.218704 H\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"H"
],
"chemical_system": "Ba-Ga-H",
"density": 4.813474704445513,
"density_atomic": 0.03404157853180425,
"volume": 763.7718672683998,
"volume_molar": 17.690544973916694,
"formula_full": "Ba10 Ga12 H4",
"formula_reduced": "Ba5(Ga3H)2",
"formula_anonymous": "A2B5C6",
"energy": -82.28742704999999,
"energy_per_atom": -3.164901040384615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.57142705,
"band_gap": 0.3734999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0147954,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:17.332000Z",
"spacegroup": 158
},
{
"id": "mp-1013714",
"created_at": "2022-09-04T14:48:28.050699Z",
"structure_string": "Ba3 Sb1 As1\n1.0\n6.492956 0.000000 0.000000\n0.000000 6.492956 0.000000\n0.000000 0.000000 6.492956\nBa Sb As\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"As"
],
"chemical_system": "As-Ba-Sb",
"density": 3.692311515291748,
"density_atomic": 0.018265965152565605,
"volume": 273.7331402002433,
"volume_molar": 32.969190019253595,
"formula_full": "Ba3 Sb1 As1",
"formula_reduced": "Ba3SbAs",
"formula_anonymous": "ABC3",
"energy": -16.85315151,
"energy_per_atom": -3.370630302,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.66115151,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001084,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:16.991000Z",
"spacegroup": 221
},
{
"id": "mp-1196243",
"created_at": "2022-09-04T14:48:28.053021Z",
"structure_string": "B32 P4 H96 Rh4 C28\n1.0\n11.159240 0.000000 0.000000\n3.273083 12.145172 0.000000\n5.185670 4.073886 12.251946\nB P H Rh C\n32 4 96 4 28\ndirect\n0.406337 0.256463 0.813467 B\n0.593663 0.743537 0.186533 B\n0.513761 0.186665 0.917108 B\n0.486239 0.813335 0.082892 B\n0.453468 0.318212 0.956976 B\n0.546532 0.681788 0.043024 B\n0.356452 0.379681 0.863569 B\n0.643548 0.620319 0.136431 B\n0.613563 0.297288 0.868767 B\n0.386437 0.702712 0.131233 B\n0.505059 0.431854 0.831994 B\n0.494941 0.568146 0.168006 B\n0.473427 0.388612 0.732244 B\n0.526573 0.611388 0.267756 B\n0.630990 0.386962 0.733862 B\n0.369010 0.613038 0.266138 B\n0.023806 0.133847 0.813318 B\n0.976194 0.866153 0.186682 B\n0.854228 0.060865 0.893014 B\n0.145772 0.939135 0.106986 B\n0.924913 0.965342 0.807288 B\n0.075087 0.034658 0.192712 B\n0.074628 0.031153 0.737929 B\n0.925372 0.968847 0.262071 B\n0.803176 0.084638 0.779013 B\n0.196824 0.915362 0.220987 B\n0.954454 0.064377 0.671540 B\n0.045546 0.935623 0.328460 B\n0.022241 0.180540 0.675651 B\n0.977759 0.819460 0.324349 B\n0.865492 0.197853 0.665441 B\n0.134508 0.802147 0.334559 B\n0.567883 0.165579 0.614747 P\n0.432117 0.834421 0.385253 P\n0.925013 0.395435 0.810797 P\n0.074987 0.604565 0.189203 P\n0.283756 0.204975 0.004161 H\n0.716244 0.795025 0.995839 H\n0.336842 0.218146 0.790485 H\n0.663158 0.781854 0.209515 H\n0.540256 0.090025 0.971847 H\n0.459744 0.909975 0.028153 H\n0.432428 0.329187 0.043645 H\n0.567572 0.670813 0.956355 H\n0.254783 0.442393 0.874073 H\n0.745217 0.557607 0.125927 H\n0.700220 0.277431 0.914650 H\n0.299780 0.722569 0.085350 H\n0.504535 0.527438 0.831676 H\n0.495465 0.472562 0.168324 H\n0.447146 0.451349 0.650841 H\n0.552854 0.548651 0.349159 H\n0.715199 0.440188 0.663055 H\n0.284801 0.559812 0.336945 H\n0.670921 0.075246 0.473543 H\n0.329079 0.924754 0.526457 H\n0.778930 0.063469 0.544161 H\n0.221070 0.936531 0.455839 H\n0.804575 0.278025 0.442371 H\n0.195425 0.721975 0.557629 H\n0.856308 0.191698 0.354812 H\n0.143692 0.808302 0.645188 H\n0.704318 0.283296 0.366646 H\n0.295682 0.716704 0.633354 H\n0.458587 0.024526 0.615992 H\n0.541413 0.975474 0.384008 H\n0.387822 0.061925 0.737562 H\n0.612178 0.938075 0.262438 H\n0.570149 0.933648 0.810093 H\n0.429851 0.066352 0.189907 H\n0.495788 0.853986 0.772348 H\n0.504212 0.146014 0.227652 H\n0.648651 0.899787 0.686001 H\n0.351349 0.100213 0.313999 H\n0.507552 0.354084 0.498107 H\n0.492448 0.645916 0.501893 H\n0.371037 0.296599 0.602479 H\n0.628963 0.703401 0.397521 H\n0.365770 0.171539 0.499772 H\n0.634230 0.828461 0.500228 H\n0.370084 0.317588 0.414629 H\n0.629916 0.682412 0.585371 H\n0.513033 0.216434 0.397449 H\n0.486967 0.783566 0.602551 H\n0.045620 0.936509 0.929170 H\n0.954380 0.063491 0.070830 H\n0.096012 0.162495 0.841816 H\n0.903988 0.837505 0.158184 H\n0.783806 0.039387 0.985230 H\n0.216194 0.960613 0.014770 H\n0.911571 0.866684 0.829246 H\n0.088429 0.133316 0.170754 H\n0.182308 0.984949 0.703740 H\n0.817692 0.015051 0.296260 H\n0.692328 0.061391 0.795249 H\n0.307672 0.938609 0.204751 H\n0.973344 0.032209 0.595600 H\n0.026656 0.967791 0.404400 H\n0.097630 0.240982 0.601792 H\n0.902370 0.759018 0.398208 H\n0.816456 0.267331 0.597189 H\n0.183544 0.732669 0.402811 H\n0.153485 0.347292 0.726906 H\n0.846515 0.652708 0.273094 H\n0.118706 0.483105 0.747824 H\n0.881294 0.516895 0.252176 H\n0.033591 0.576559 0.585451 H\n0.966409 0.423441 0.414549 H\n0.193536 0.503395 0.546578 H\n0.806464 0.496605 0.453422 H\n0.058465 0.439048 0.567267 H\n0.941535 0.560952 0.432733 H\n0.987231 0.428521 0.943530 H\n0.012769 0.571479 0.056470 H\n0.027112 0.281511 0.949008 H\n0.972888 0.718489 0.050992 H\n0.792008 0.249870 0.049871 H\n0.207992 0.750130 0.950129 H\n0.850429 0.307433 0.119583 H\n0.149571 0.692567 0.880417 H\n0.747040 0.398670 0.041256 H\n0.252960 0.601330 0.958744 H\n0.725376 0.522661 0.854922 H\n0.274624 0.477339 0.145078 H\n0.807516 0.563755 0.714589 H\n0.192484 0.436245 0.285411 H\n0.968019 0.652480 0.744258 H\n0.031981 0.347520 0.255742 H\n0.804642 0.714879 0.791176 H\n0.195358 0.285121 0.208824 H\n0.881398 0.612979 0.886279 H\n0.118602 0.387021 0.113721 H\n0.619739 0.221744 0.739179 Rh\n0.380261 0.778256 0.260821 Rh\n0.841510 0.248102 0.797004 Rh\n0.158490 0.751898 0.202996 Rh\n0.365640 0.245830 0.940838 C\n0.634360 0.754170 0.059162 C\n0.707201 0.124333 0.505431 C\n0.292799 0.875667 0.494569 C\n0.771086 0.225525 0.412288 C\n0.228914 0.774475 0.587712 C\n0.481295 0.037175 0.681142 C\n0.518705 0.962825 0.318858 C\n0.553780 0.925374 0.740368 C\n0.446220 0.074626 0.259632 C\n0.459985 0.275317 0.540168 C\n0.540015 0.724683 0.459832 C\n0.426110 0.242073 0.458985 C\n0.573890 0.757927 0.541015 C\n0.001366 0.998749 0.868209 C\n0.998634 0.001251 0.131791 C\n0.087193 0.429601 0.717133 C\n0.912807 0.570399 0.282867 C\n0.092764 0.490564 0.597702 C\n0.907236 0.509436 0.402298 C\n0.948526 0.355435 0.945339 C\n0.051474 0.644565 0.054661 C\n0.827441 0.326521 0.043990 C\n0.172559 0.673479 0.956010 C\n0.821740 0.537987 0.794856 C\n0.178260 0.462013 0.205144 C\n0.872746 0.634051 0.804774 C\n0.127254 0.365949 0.195226 C\n",
"nsites": 164,
"nelements": 5,
"elements": [
"B",
"P",
"H",
"Rh",
"C"
],
"chemical_system": "B-C-H-P-Rh",
"density": 1.3145482493824159,
"density_atomic": 0.09876441289052688,
"volume": 1660.5171356790424,
"volume_molar": 6.097480442348299,
"formula_full": "B32 P4 H96 Rh4 C28",
"formula_reduced": "B8PH24RhC7",
"formula_anonymous": "ABC7D8E24",
"energy": -873.38484995,
"energy_per_atom": -5.325517377743902,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -873.38484995,
"band_gap": 1.6749999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.6278165,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:21.470000Z",
"spacegroup": 2
},
{
"id": "mp-12603",
"created_at": "2022-09-04T14:48:28.057140Z",
"structure_string": "Sc1 Sn1 Pt1\n1.0\n0.000000 3.247010 3.247010\n3.247010 0.000000 3.247010\n3.247010 3.247010 0.000000\nSc Sn Pt\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"Sn",
"Pt"
],
"chemical_system": "Pt-Sc-Sn",
"density": 8.70081684201396,
"density_atomic": 0.04381677208692463,
"volume": 68.4669330284882,
"volume_molar": 13.7439169367683,
"formula_full": "Sc1 Sn1 Pt1",
"formula_reduced": "ScSnPt",
"formula_anonymous": "ABC",
"energy": -17.65744042,
"energy_per_atom": -5.885813473333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.65744042,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000932,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:47.837000Z",
"spacegroup": 216
},
{
"id": "mp-20875",
"created_at": "2022-09-04T14:48:28.060409Z",
"structure_string": "Tb3 In3 Rh3\n1.0\n3.772487 -6.534140 0.000000\n3.772487 6.534140 0.000000\n0.000000 0.000000 3.961259\nTb In Rh\n3 3 3\ndirect\n0.000000 0.592765 0.500000 Tb\n0.407235 0.407235 0.500000 Tb\n0.592765 0.000000 0.500000 Tb\n0.744069 0.744069 0.000000 In\n0.000000 0.255931 0.000000 In\n0.255931 0.000000 0.000000 In\n0.333333 0.666667 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n0.666667 0.333333 0.000000 Rh\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tb",
"In",
"Rh"
],
"chemical_system": "In-Rh-Tb",
"density": 9.607880130425158,
"density_atomic": 0.046085370952776816,
"volume": 195.28973758770877,
"volume_molar": 13.067358763740502,
"formula_full": "Tb3 In3 Rh3",
"formula_reduced": "TbInRh",
"formula_anonymous": "ABC",
"energy": -50.98288065,
"energy_per_atom": -5.664764516666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.98288065,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009484,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:21.247000Z",
"spacegroup": 189
},
{
"id": "mp-1096936",
"created_at": "2022-09-04T14:48:28.068587Z",
"structure_string": "Cs1 O2\n1.0\n2.220245 -3.403441 0.000000\n2.220245 3.403441 0.000000\n0.000000 0.000000 4.149304\nCs O\n1 2\ndirect\n0.500000 0.500000 0.000000 Cs\n0.099708 0.900292 0.500000 O\n0.900292 0.099708 0.500000 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cs",
"O"
],
"chemical_system": "Cs-O",
"density": 4.366732351744794,
"density_atomic": 0.04784062858819595,
"volume": 62.70820615304813,
"volume_molar": 12.587921475358465,
"formula_full": "Cs1 O2",
"formula_reduced": "CsO2",
"formula_anonymous": "AB2",
"energy": -13.55330458,
"energy_per_atom": -4.517768193333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.23130458,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0006923,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:20.744000Z",
"spacegroup": 65
},
{
"id": "mp-1212680",
"created_at": "2022-09-04T14:48:28.099687Z",
"structure_string": "Ga20 Ir12\n1.0\n5.878554 0.000000 0.000000\n0.000000 5.878554 0.000000\n0.000000 0.000000 14.423852\nGa Ir\n20 12\ndirect\n0.230314 0.349338 0.051650 Ga\n0.769686 0.650662 0.051650 Ga\n0.349338 0.769686 0.948350 Ga\n0.730314 0.150662 0.551650 Ga\n0.650662 0.230314 0.948350 Ga\n0.269686 0.849338 0.551650 Ga\n0.849338 0.730314 0.448350 Ga\n0.150662 0.269686 0.448350 Ga\n0.342279 0.303478 0.651287 Ga\n0.657721 0.696522 0.651287 Ga\n0.303478 0.657721 0.348713 Ga\n0.842279 0.196522 0.151287 Ga\n0.696522 0.342279 0.348713 Ga\n0.157721 0.803478 0.151287 Ga\n0.803478 0.842279 0.848713 Ga\n0.196522 0.157721 0.848713 Ga\n0.329206 0.170794 0.250000 Ga\n0.670794 0.829206 0.250000 Ga\n0.170794 0.670794 0.750000 Ga\n0.829206 0.329206 0.750000 Ga\n0.000000 0.000000 0.328654 Ir\n0.000000 0.000000 0.671346 Ir\n0.500000 0.500000 0.828654 Ir\n0.500000 0.500000 0.171346 Ir\n0.000000 0.500000 0.586309 Ir\n0.500000 0.000000 0.413691 Ir\n0.500000 0.000000 0.086309 Ir\n0.000000 0.500000 0.913691 Ir\n0.000000 0.500000 0.250000 Ir\n0.500000 0.000000 0.750000 Ir\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Ga",
"Ir"
],
"chemical_system": "Ga-Ir",
"density": 12.329725592485856,
"density_atomic": 0.06419891626908059,
"volume": 498.450781721557,
"volume_molar": 9.380439904560161,
"formula_full": "Ga20 Ir12",
"formula_reduced": "Ga5Ir3",
"formula_anonymous": "A3B5",
"energy": -182.0629452,
"energy_per_atom": -5.6894670375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -182.0629452,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.89e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:23.616000Z",
"spacegroup": 118
}
]
}