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=formula_anonymous&page=6",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=4",
"results": [
{
"id": "mp-607540",
"created_at": "2022-09-04T14:46:58.045403Z",
"structure_string": "O2\n1.0\n0.000000 1.889885 3.898837\n1.501773 0.000000 3.898837\n1.501773 1.889885 0.000000\nO\n2\ndirect\n0.421098 0.421098 0.578902 O\n0.578902 0.578902 0.421098 O\n",
"nsites": 2,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 2.4009219653451197,
"density_atomic": 0.09037020159556464,
"volume": 22.13118887297204,
"volume_molar": 6.6638567289591695,
"formula_full": "O2",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -9.64872816,
"energy_per_atom": -4.82436408,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.64872816,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010728,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:51.451000Z",
"spacegroup": 69
},
{
"id": "mp-50",
"created_at": "2022-09-04T14:47:18.301684Z",
"structure_string": "Ta1\n1.0\n-1.661144 1.661144 1.661144\n1.661144 -1.661144 1.661144\n1.661144 1.661144 -1.661144\nTa\n1\ndirect\n0.000000 0.000000 0.000000 Ta\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ta"
],
"chemical_system": "Ta",
"density": 16.38780394913755,
"density_atomic": 0.054540380447173645,
"volume": 18.335038952809896,
"volume_molar": 11.04161854139042,
"formula_full": "Ta1",
"formula_reduced": "Ta",
"formula_anonymous": "A",
"energy": -11.85777763,
"energy_per_atom": -11.85777763,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.85777763,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012194,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:03.814000Z",
"spacegroup": 229
},
{
"id": "mp-556269",
"created_at": "2022-09-04T14:47:01.252178Z",
"structure_string": "S72\n1.0\n14.996784 0.000000 0.000000\n0.000000 8.499848 0.000000\n0.000000 4.124589 18.555124\nS\n72\ndirect\n0.977159 0.623809 0.361187 S\n0.525965 0.241936 0.627967 S\n0.248379 0.764437 0.349668 S\n0.022841 0.376191 0.638813 S\n0.678368 0.780577 0.641749 S\n0.748379 0.235563 0.150332 S\n0.178368 0.219423 0.858251 S\n0.121464 0.384657 0.563980 S\n0.521971 0.996748 0.125831 S\n0.751621 0.235563 0.650332 S\n0.736668 0.856641 0.333962 S\n0.582989 0.159418 0.879062 S\n0.209257 0.991390 0.098518 S\n0.082989 0.840582 0.620938 S\n0.350860 0.705499 0.421437 S\n0.850860 0.294501 0.078563 S\n0.821632 0.780577 0.141749 S\n0.325746 0.950671 0.045068 S\n0.490889 0.138597 0.197377 S\n0.236668 0.143359 0.166038 S\n0.509111 0.861403 0.802623 S\n0.262451 0.587900 0.788604 S\n0.878536 0.615343 0.436020 S\n0.287104 0.370545 0.857989 S\n0.174254 0.950671 0.545068 S\n0.414190 0.259565 0.432576 S\n0.762451 0.412100 0.711396 S\n0.149140 0.705499 0.921437 S\n0.621464 0.615343 0.936020 S\n0.009111 0.138597 0.697377 S\n0.674254 0.049329 0.954932 S\n0.917011 0.159418 0.379062 S\n0.478029 0.003252 0.874169 S\n0.477159 0.376191 0.138813 S\n0.491846 0.583207 0.312684 S\n0.212896 0.370545 0.357989 S\n0.747363 0.621121 0.890085 S\n0.585810 0.740435 0.567424 S\n0.763332 0.856641 0.833962 S\n0.021971 0.003252 0.374169 S\n0.752637 0.621121 0.390085 S\n0.008154 0.583207 0.812684 S\n0.787104 0.629455 0.642011 S\n0.526360 0.364952 0.376503 S\n0.978029 0.996748 0.625831 S\n0.508154 0.416793 0.687316 S\n0.026360 0.635048 0.123497 S\n0.378536 0.384657 0.063980 S\n0.085810 0.259565 0.932576 S\n0.712896 0.629455 0.142011 S\n0.991846 0.416793 0.187316 S\n0.737549 0.412100 0.211396 S\n0.290743 0.991390 0.598518 S\n0.914190 0.740435 0.067424 S\n0.522841 0.623809 0.861187 S\n0.263332 0.143359 0.666038 S\n0.025965 0.758064 0.872033 S\n0.473640 0.635048 0.623497 S\n0.251621 0.764437 0.849668 S\n0.321632 0.219423 0.358251 S\n0.790743 0.008610 0.901482 S\n0.417011 0.840582 0.120938 S\n0.990889 0.861403 0.302623 S\n0.973640 0.364952 0.876503 S\n0.252637 0.378879 0.109915 S\n0.474035 0.758064 0.372033 S\n0.825746 0.049329 0.454932 S\n0.649140 0.294501 0.578563 S\n0.709257 0.008610 0.401482 S\n0.237549 0.587900 0.288604 S\n0.974035 0.241936 0.127967 S\n0.247363 0.378879 0.609915 S\n",
"nsites": 72,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.6208382663220364,
"density_atomic": 0.03044102975942253,
"volume": 2365.228790517954,
"volume_molar": 19.78297320292177,
"formula_full": "S72",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -295.14755575,
"energy_per_atom": -4.099271607638888,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -295.14755575,
"band_gap": 2.3782,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0797722,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:53.507000Z",
"spacegroup": 14
},
{
"id": "mp-1056059",
"created_at": "2022-09-04T14:47:21.082969Z",
"structure_string": "O1\n1.0\n1.784516 0.000000 0.000000\n0.000000 1.784516 0.000000\n0.000000 0.000000 3.089828\nO\n1\ndirect\n0.000000 0.000000 0.000000 O\n",
"nsites": 1,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 2.700085999486939,
"density_atomic": 0.10163067339171998,
"volume": 9.839549091106107,
"volume_molar": 5.925514964157105,
"formula_full": "O1",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -3.39040623,
"energy_per_atom": -3.39040623,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.39040623,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002598,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:02.913000Z",
"spacegroup": 123
},
{
"id": "mp-1244987",
"created_at": "2022-09-04T14:47:27.348553Z",
"structure_string": "Zn100\n1.0\n11.706464 0.331444 -0.299754\n0.351417 11.811438 -0.491175\n-0.315011 -0.493333 11.703576\nZn\n100\ndirect\n0.948285 0.646914 0.594303 Zn\n0.291274 0.108757 0.100264 Zn\n0.964411 0.217735 0.407935 Zn\n0.269466 0.625166 0.240734 Zn\n0.225154 0.129736 0.453224 Zn\n0.433616 0.878988 0.645804 Zn\n0.624232 0.901217 0.137379 Zn\n0.171050 0.190993 0.812744 Zn\n0.270937 0.305378 0.998508 Zn\n0.541205 0.755882 0.466929 Zn\n0.672320 0.321084 0.521191 Zn\n0.532903 0.304867 0.201498 Zn\n0.212982 0.730141 0.930812 Zn\n0.105386 0.100778 0.236309 Zn\n0.629987 0.222644 0.867043 Zn\n0.745520 0.729052 0.555014 Zn\n0.046737 0.346787 0.920265 Zn\n0.441738 0.953009 0.007915 Zn\n0.299161 0.993844 0.285816 Zn\n0.688703 0.629864 0.329021 Zn\n0.877245 0.309494 0.608716 Zn\n0.563004 0.590595 0.942821 Zn\n0.327645 0.405733 0.217644 Zn\n0.048975 0.890931 0.966062 Zn\n0.080749 0.794999 0.522031 Zn\n0.918023 0.488491 0.765168 Zn\n0.906131 0.206894 0.184249 Zn\n0.522837 0.681755 0.709574 Zn\n0.080021 0.562025 0.900182 Zn\n0.142641 0.412151 0.730708 Zn\n0.597852 0.540733 0.546471 Zn\n0.701414 0.200549 0.082497 Zn\n0.936669 0.078216 0.820762 Zn\n0.191466 0.820283 0.727376 Zn\n0.895949 0.409804 0.298352 Zn\n0.075370 0.536630 0.288973 Zn\n0.744997 0.639252 0.769063 Zn\n0.482944 0.363497 0.987378 Zn\n0.691213 0.686121 0.112774 Zn\n0.727201 0.206465 0.323923 Zn\n0.890314 0.380860 0.068774 Zn\n0.309144 0.718323 0.489177 Zn\n0.514308 0.265806 0.658379 Zn\n0.868015 0.677952 0.972908 Zn\n0.150964 0.804236 0.309853 Zn\n0.868913 0.029580 0.048713 Zn\n0.890551 0.589253 0.164594 Zn\n0.153160 0.321506 0.359518 Zn\n0.428614 0.146693 0.919327 Zn\n0.245287 0.508901 0.431863 Zn\n0.167339 0.610376 0.635750 Zn\n0.992247 0.729707 0.800271 Zn\n0.393726 0.800997 0.844119 Zn\n0.459292 0.960095 0.434023 Zn\n0.671185 0.420333 0.331825 Zn\n0.463037 0.577592 0.343432 Zn\n0.363048 0.208145 0.309335 Zn\n0.233359 0.874779 0.108395 Zn\n0.080903 0.109903 0.000274 Zn\n0.942006 0.850069 0.165412 Zn\n0.930207 0.691010 0.372614 Zn\n0.834894 0.878675 0.883160 Zn\n0.295468 0.314479 0.560837 Zn\n0.086397 0.694439 0.105791 Zn\n0.383728 0.533563 0.599464 Zn\n0.458807 0.377283 0.433056 Zn\n0.408841 0.795963 0.275755 Zn\n0.517066 0.093048 0.177569 Zn\n0.866321 0.025869 0.286418 Zn\n0.760577 0.817856 0.286787 Zn\n0.633358 0.791105 0.928953 Zn\n0.715293 0.414482 0.729694 Zn\n0.544339 0.055086 0.735878 Zn\n0.356836 0.553076 0.035856 Zn\n0.089477 0.230159 0.603727 Zn\n0.662901 0.863149 0.733871 Zn\n0.253321 0.928930 0.518542 Zn\n0.696791 0.412878 0.970497 Zn\n0.812890 0.500414 0.493661 Zn\n0.338241 0.104170 0.662290 Zn\n0.509339 0.462074 0.770837 Zn\n0.055411 0.989602 0.411669 Zn\n0.034117 0.443929 0.519309 Zn\n0.254246 0.991185 0.872266 Zn\n0.865791 0.897187 0.464489 Zn\n0.847289 0.279643 0.853837 Zn\n0.729432 0.152539 0.676608 Zn\n0.347491 0.321658 0.791019 Zn\n0.576522 0.511396 0.149482 Zn\n0.903858 0.891344 0.679855 Zn\n0.538320 0.160799 0.459878 Zn\n0.448775 0.747834 0.065823 Zn\n0.660742 0.955969 0.548620 Zn\n0.913598 0.086603 0.578929 Zn\n0.656172 0.015915 0.943287 Zn\n0.652154 0.007986 0.339475 Zn\n0.307665 0.560570 0.811514 Zn\n0.101797 0.296390 0.143140 Zn\n0.112134 0.018598 0.676608 Zn\n0.156736 0.485994 0.082633 Zn\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Zn"
],
"chemical_system": "Zn",
"density": 6.733494229205109,
"density_atomic": 0.061994603294552884,
"volume": 1613.0436309895128,
"volume_molar": 9.713975797840344,
"formula_full": "Zn100",
"formula_reduced": "Zn",
"formula_anonymous": "A",
"energy": -120.13688532,
"energy_per_atom": -1.2013688532,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.13688532,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.488000Z",
"spacegroup": 1
},
{
"id": "mp-11534",
"created_at": "2022-09-04T14:47:05.234801Z",
"structure_string": "Np8\n1.0\n4.666573 0.000000 0.000000\n0.000000 4.796107 0.000000\n0.000000 0.000000 6.586571\nNp\n8\ndirect\n0.250000 0.217798 0.044816 Np\n0.750000 0.782202 0.955184 Np\n0.750000 0.717798 0.455184 Np\n0.250000 0.282202 0.544816 Np\n0.250000 0.860069 0.318009 Np\n0.750000 0.139931 0.681991 Np\n0.750000 0.360069 0.181991 Np\n0.250000 0.639931 0.818009 Np\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Np"
],
"chemical_system": "Np",
"density": 21.357043159256772,
"density_atomic": 0.0542679831927789,
"volume": 147.41657104855352,
"volume_molar": 11.097041765136627,
"formula_full": "Np8",
"formula_reduced": "Np",
"formula_anonymous": "A",
"energy": -103.58223745,
"energy_per_atom": -12.94777968125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.58223745,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0032839,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:55.450000Z",
"spacegroup": 62
},
{
"id": "mp-723285",
"created_at": "2022-09-04T14:47:57.169127Z",
"structure_string": "O8\n1.0\n4.262510 0.000000 0.000000\n0.000000 4.262510 0.000000\n0.000000 0.000000 8.980318\nO\n8\ndirect\n0.547471 0.363461 0.529930 O\n0.452529 0.636539 0.029930 O\n0.863461 0.952529 0.279930 O\n0.136539 0.047471 0.779930 O\n0.636539 0.452529 0.970070 O\n0.363461 0.547471 0.470070 O\n0.952529 0.863461 0.720070 O\n0.047471 0.136539 0.220070 O\n",
"nsites": 8,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.3026275029235828,
"density_atomic": 0.049030627293298844,
"volume": 163.16332141019504,
"volume_molar": 12.282406105016452,
"formula_full": "O8",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -39.57350969,
"energy_per_atom": -4.94668871125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.57350969,
"band_gap": 1.4592,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0010318,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:22.023000Z",
"spacegroup": 92
},
{
"id": "mp-571261",
"created_at": "2022-09-04T14:47:55.396211Z",
"structure_string": "Pu2\n1.0\n0.000000 2.806491 3.538963\n1.792768 0.000000 3.538963\n1.792768 2.806491 0.000000\nPu\n2\ndirect\n0.250000 0.250000 0.250000 Pu\n0.000000 0.000000 0.000000 Pu\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Pu"
],
"chemical_system": "Pu",
"density": 22.754911785635407,
"density_atomic": 0.056161181066325866,
"volume": 35.611786683011836,
"volume_molar": 10.722959606009539,
"formula_full": "Pu2",
"formula_reduced": "Pu",
"formula_anonymous": "A",
"energy": -28.53567666,
"energy_per_atom": -14.26783833,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.53567666,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020977,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:17.555000Z",
"spacegroup": 70
},
{
"id": "mp-48",
"created_at": "2022-09-04T14:47:35.806291Z",
"structure_string": "C4\n1.0\n1.233862 -2.137112 0.000000\n1.233862 2.137112 0.000000\n0.000000 0.000000 8.685038\nC\n4\ndirect\n0.000000 0.000000 0.750000 C\n0.000000 0.000000 0.250000 C\n0.333333 0.666667 0.750000 C\n0.666667 0.333333 0.250000 C\n",
"nsites": 4,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.7417339509645842,
"density_atomic": 0.08733018910475182,
"volume": 45.80317575176706,
"volume_molar": 6.895829290804,
"formula_full": "C4",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -36.88118863,
"energy_per_atom": -9.2202971575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.88118863,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.8e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:17.511000Z",
"spacegroup": 194
},
{
"id": "mp-1087546",
"created_at": "2022-09-04T14:47:34.137712Z",
"structure_string": "O8\n1.0\n4.565600 3.970196 0.000000\n-4.565600 3.970196 0.000000\n0.000000 2.164898 3.946012\nO\n8\ndirect\n0.711206 0.006915 0.606040 O\n0.993085 0.288794 0.893960 O\n0.288794 0.993085 0.393960 O\n0.006915 0.711206 0.106040 O\n0.598692 0.822027 0.860867 O\n0.177973 0.401308 0.639133 O\n0.401308 0.177973 0.139133 O\n0.822027 0.598692 0.360867 O\n",
"nsites": 8,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.4857460231158937,
"density_atomic": 0.05592317016829473,
"volume": 143.05340659202378,
"volume_molar": 10.768596883683488,
"formula_full": "O8",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -39.43974671,
"energy_per_atom": -4.92996833875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.43974671,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0015409,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:10.661000Z",
"spacegroup": 15
},
{
"id": "mp-1",
"created_at": "2022-09-04T14:46:54.536581Z",
"structure_string": "Cs1\n1.0\n-3.055020 3.055020 3.055020\n3.055020 -3.055020 3.055020\n3.055020 3.055020 -3.055020\nCs\n1\ndirect\n0.000000 0.000000 0.000000 Cs\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.9350390306525629,
"density_atomic": 0.00876794537479071,
"volume": 114.05180544066401,
"volume_molar": 68.68360262958124,
"formula_full": "Cs1",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -0.85663276,
"energy_per_atom": -0.85663276,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.85663276,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023078,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:48.081000Z",
"spacegroup": 229
},
{
"id": "mp-46",
"created_at": "2022-09-04T14:39:08.433028Z",
"structure_string": "Ti2\n1.0\n1.466907 -2.540757 0.000000\n1.466907 2.540757 0.000000\n0.000000 0.000000 4.657009\nTi\n2\ndirect\n0.333333 0.666667 0.250000 Ti\n0.666667 0.333333 0.750000 Ti\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.579441525890857,
"density_atomic": 0.05761389157589635,
"volume": 34.713850172147204,
"volume_molar": 10.452584602911035,
"formula_full": "Ti2",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"energy": -15.78211434,
"energy_per_atom": -7.89105717,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.78211434,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002238,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.339000Z",
"spacegroup": 194
}
]
}