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=64",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=62",
"results": [
{
"id": "mp-1187777",
"created_at": "2022-09-04T14:39:19.200835Z",
"structure_string": "Xe4\n1.0\n3.967823 -8.557248 0.000000\n3.967823 8.557248 0.000000\n0.000000 0.000000 5.078424\nXe\n4\ndirect\n0.366897 0.633103 0.485509 Xe\n0.866897 0.133103 0.014491 Xe\n0.133103 0.866897 0.985509 Xe\n0.633103 0.366897 0.514491 Xe\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Xe"
],
"chemical_system": "Xe",
"density": 2.528746521824349,
"density_atomic": 0.011598841907831548,
"volume": 344.8620156896178,
"volume_molar": 51.92019003150517,
"formula_full": "Xe4",
"formula_reduced": "Xe",
"formula_anonymous": "A",
"energy": -0.12689711,
"energy_per_atom": -0.0317242775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.12689711,
"band_gap": 6.152100000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.190000Z",
"spacegroup": 64
},
{
"id": "mp-1188177",
"created_at": "2022-09-04T14:44:56.655303Z",
"structure_string": "H16\n1.0\n4.697337 0.000000 0.000000\n0.000000 4.955131 0.000000\n0.000000 0.000000 5.477365\nH\n16\ndirect\n0.515550 0.376635 0.750000 H\n0.984450 0.876635 0.750000 H\n0.484450 0.623365 0.250000 H\n0.015550 0.123365 0.250000 H\n0.457217 0.516211 0.750000 H\n0.042783 0.016211 0.750000 H\n0.542783 0.483789 0.250000 H\n0.957217 0.983789 0.250000 H\n0.946816 0.471238 0.956469 H\n0.553184 0.971238 0.543531 H\n0.053184 0.528762 0.456469 H\n0.446816 0.028762 0.043531 H\n0.053184 0.528762 0.043531 H\n0.446816 0.028762 0.456469 H\n0.946816 0.471238 0.543531 H\n0.553184 0.971238 0.956469 H\n",
"nsites": 16,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.21005122513482502,
"density_atomic": 0.12549933974338837,
"volume": 127.49071057039504,
"volume_molar": 4.798543779045867,
"formula_full": "H16",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -53.71851732,
"energy_per_atom": -3.3574073325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.71851732,
"band_gap": 7.3865,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.948000Z",
"spacegroup": 62
},
{
"id": "mp-1091415",
"created_at": "2022-09-04T14:41:10.342357Z",
"structure_string": "Ge8\n1.0\n2.040358 -3.534004 0.000000\n2.040358 3.534004 0.000000\n0.000000 0.000000 13.247926\nGe\n8\ndirect\n0.000000 0.000000 0.406763 Ge\n0.000000 0.000000 0.593237 Ge\n0.000000 0.000000 0.906763 Ge\n0.000000 0.000000 0.093237 Ge\n0.333333 0.666667 0.344290 Ge\n0.666667 0.333333 0.655710 Ge\n0.666667 0.333333 0.844290 Ge\n0.333333 0.666667 0.155710 Ge\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 5.050840088891539,
"density_atomic": 0.04187344435857266,
"volume": 191.0518736288809,
"volume_molar": 14.381765943185659,
"formula_full": "Ge8",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -36.87456134,
"energy_per_atom": -4.6093201675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.87456134,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.71e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:10.096000Z",
"spacegroup": 194
},
{
"id": "mp-1179802",
"created_at": "2022-09-04T14:46:11.351041Z",
"structure_string": "Rb8\n1.0\n8.978624 0.000000 0.000000\n-0.417011 9.410338 0.000000\n-4.078497 -2.329584 8.811433\nRb\n8\ndirect\n0.388715 0.794630 0.234057 Rb\n0.974850 0.820843 0.782301 Rb\n0.894549 0.599739 0.269305 Rb\n0.780495 0.299401 0.750595 Rb\n0.273446 0.288511 0.733440 Rb\n0.453472 0.782270 0.726238 Rb\n0.849128 0.088731 0.229780 Rb\n0.364381 0.302596 0.249545 Rb\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.5250358697239768,
"density_atomic": 0.010745544725265654,
"volume": 744.4945979508938,
"volume_molar": 56.04314079899862,
"formula_full": "Rb8",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -7.41507832,
"energy_per_atom": -0.92688479,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.41507832,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0050905,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.537000Z",
"spacegroup": 1
},
{
"id": "mp-1022725",
"created_at": "2022-09-04T14:46:40.067157Z",
"structure_string": "Sn1\n1.0\n0.000000 2.406666 2.406666\n2.406666 0.000000 2.406666\n2.406666 2.406666 0.000000\nSn\n1\ndirect\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sn"
],
"chemical_system": "Sn",
"density": 7.070643473374787,
"density_atomic": 0.035869269880509785,
"volume": 27.87901742442123,
"volume_molar": 16.78913671803573,
"formula_full": "Sn1",
"formula_reduced": "Sn",
"formula_anonymous": "A",
"energy": -3.95531502,
"energy_per_atom": -3.95531502,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.95531502,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008963,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.618000Z",
"spacegroup": 225
},
{
"id": "mp-656615",
"created_at": "2022-09-04T14:39:19.952516Z",
"structure_string": "Rb8\n1.0\n8.112322 0.000000 0.000000\n-0.633540 8.307015 0.000000\n-3.695750 -4.080828 10.682886\nRb\n8\ndirect\n0.428549 0.712400 0.870373 Rb\n0.060552 0.832965 0.131313 Rb\n0.310252 0.105845 0.621780 Rb\n0.560666 0.299524 0.125747 Rb\n0.687862 0.893596 0.382903 Rb\n0.179476 0.472270 0.369473 Rb\n0.934516 0.159949 0.870119 Rb\n0.807996 0.515216 0.626646 Rb\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.5771131040328392,
"density_atomic": 0.011112485766813288,
"volume": 719.9109333297395,
"volume_molar": 54.19256218968333,
"formula_full": "Rb8",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -7.66073231,
"energy_per_atom": -0.95759153875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.66073231,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006242,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.288000Z",
"spacegroup": 1
},
{
"id": "mp-1198724",
"created_at": "2022-09-04T14:40:42.475949Z",
"structure_string": "P42\n1.0\n7.857480 0.000000 0.000000\n-2.520449 11.882710 0.000000\n-3.753232 -3.721688 11.930256\nP\n42\ndirect\n0.275665 0.666404 0.848965 P\n0.724335 0.333596 0.151035 P\n0.032943 0.518703 0.728404 P\n0.967057 0.481297 0.271596 P\n0.023455 0.414041 0.847672 P\n0.976545 0.585959 0.152328 P\n0.779668 0.271809 0.725494 P\n0.220332 0.728191 0.274506 P\n0.739180 0.151702 0.826513 P\n0.260820 0.848298 0.173487 P\n0.483160 0.019708 0.702218 P\n0.516840 0.980292 0.297782 P\n0.513744 0.924086 0.828901 P\n0.486256 0.075914 0.171099 P\n0.276797 0.766685 0.727633 P\n0.723203 0.233315 0.272367 P\n0.448101 0.519634 0.668705 P\n0.551899 0.480366 0.331295 P\n0.148619 0.420528 0.607525 P\n0.851381 0.579472 0.392475 P\n0.193809 0.266959 0.666291 P\n0.806191 0.733041 0.333709 P\n0.892784 0.175608 0.600423 P\n0.107216 0.824392 0.399577 P\n0.889565 0.005952 0.636102 P\n0.110435 0.994048 0.363898 P\n0.585824 0.918929 0.572147 P\n0.414176 0.081071 0.427853 P\n0.667082 0.778237 0.640371 P\n0.332918 0.221763 0.359629 P\n0.385680 0.664562 0.603129 P\n0.614320 0.335438 0.396871 P\n0.524416 0.608575 0.849816 P\n0.475584 0.391425 0.150184 P\n0.235968 0.320337 0.847554 P\n0.764032 0.679663 0.152446 P\n0.944064 0.048820 0.820582 P\n0.055936 0.951180 0.179418 P\n0.770479 0.872510 0.823859 P\n0.229521 0.127490 0.176141 P\n0.515559 0.455159 0.919113 P\n0.484441 0.544841 0.080887 P\n",
"nsites": 42,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 1.939294650444865,
"density_atomic": 0.03770515626784336,
"volume": 1113.9060053656235,
"volume_molar": 15.97166370885976,
"formula_full": "P42",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -227.35870528,
"energy_per_atom": -5.413302506666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -227.35870528,
"band_gap": 1.9259,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002592,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:08.297000Z",
"spacegroup": 2
},
{
"id": "mp-1063817",
"created_at": "2022-09-04T14:41:23.289345Z",
"structure_string": "Rb4\n1.0\n0.000000 7.671627 13.050748\n2.435135 0.000000 13.050748\n2.435135 7.671627 0.000000\nRb\n4\ndirect\n0.916997 0.916997 0.583003 Rb\n0.333003 0.333003 0.666997 Rb\n0.583003 0.583003 0.916997 Rb\n0.666997 0.666997 0.333003 Rb\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.1642217072195442,
"density_atomic": 0.008203214542958274,
"volume": 487.6137249675668,
"volume_molar": 73.41196220656535,
"formula_full": "Rb4",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -3.19748225,
"energy_per_atom": -0.7993705625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.19748225,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.7e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:22.146000Z",
"spacegroup": 70
},
{
"id": "mp-973986",
"created_at": "2022-09-04T14:44:55.030549Z",
"structure_string": "Ho4\n1.0\n1.770124 -3.065945 0.000000\n1.770124 3.065945 0.000000\n0.000000 0.000000 11.426988\nHo\n4\ndirect\n0.000000 0.000000 0.000000 Ho\n0.333333 0.666667 0.250000 Ho\n0.000000 0.000000 0.500000 Ho\n0.666667 0.333333 0.750000 Ho\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ho"
],
"chemical_system": "Ho",
"density": 8.832421234737389,
"density_atomic": 0.032250033799475386,
"volume": 124.03087776190388,
"volume_molar": 18.673285111713472,
"formula_full": "Ho4",
"formula_reduced": "Ho",
"formula_anonymous": "A",
"energy": -18.30788468,
"energy_per_atom": -4.57697117,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.30788468,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024091,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.283000Z",
"spacegroup": 194
},
{
"id": "mp-1056308",
"created_at": "2022-09-04T14:39:49.611638Z",
"structure_string": "Sn1\n1.0\n-1.691220 1.954661 2.107870\n1.691220 -1.954661 2.107870\n1.691220 1.954661 -2.107870\nSn\n1\ndirect\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sn"
],
"chemical_system": "Sn",
"density": 7.072305859132322,
"density_atomic": 0.035877703138898084,
"volume": 27.872464302649703,
"volume_molar": 16.785190335863177,
"formula_full": "Sn1",
"formula_reduced": "Sn",
"formula_anonymous": "A",
"energy": -3.94360375,
"energy_per_atom": -3.94360375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.94360375,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005705,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.419000Z",
"spacegroup": 71
},
{
"id": "mp-1245067",
"created_at": "2022-09-04T14:40:58.399472Z",
"structure_string": "Al100\n1.0\n11.949980 0.464068 0.763081\n0.473635 12.322697 -0.289681\n0.787323 -0.292709 12.246149\nAl\n100\ndirect\n0.009674 0.737446 0.304327 Al\n0.357928 0.032694 0.358222 Al\n0.648360 0.408836 0.628776 Al\n0.497407 0.690001 0.921415 Al\n0.812846 0.309185 0.000476 Al\n0.786400 0.858633 0.939195 Al\n0.988085 0.314677 0.306242 Al\n0.313129 0.178240 0.705299 Al\n0.946273 0.525485 0.263969 Al\n0.253047 0.047902 0.172302 Al\n0.371880 0.305206 0.956101 Al\n0.736067 0.621816 0.214009 Al\n0.749032 0.660165 0.646162 Al\n0.105380 0.463619 0.444865 Al\n0.144008 0.010556 0.988270 Al\n0.703417 0.659949 0.000582 Al\n0.184950 0.430053 0.227133 Al\n0.181656 0.213700 0.897314 Al\n0.722954 0.024443 0.189848 Al\n0.128196 0.226234 0.125416 Al\n0.687517 0.689546 0.432719 Al\n0.675857 0.161693 0.782155 Al\n0.150443 0.775188 0.952140 Al\n0.363882 0.375093 0.357535 Al\n0.022055 0.238255 0.500379 Al\n0.678708 0.534884 0.818740 Al\n0.925062 0.960242 0.064773 Al\n0.129938 0.981874 0.361376 Al\n0.803810 0.207402 0.590182 Al\n0.252989 0.412563 0.783776 Al\n0.450755 0.676959 0.479117 Al\n0.417193 0.835166 0.245495 Al\n0.788891 0.205525 0.367390 Al\n0.089516 0.715258 0.728635 Al\n0.391746 0.855797 0.825855 Al\n0.633194 0.830012 0.141533 Al\n0.541950 0.149244 0.975985 Al\n0.605948 0.345867 0.914507 Al\n0.893676 0.510058 0.043122 Al\n0.897981 0.180164 0.153224 Al\n0.195490 0.087579 0.542451 Al\n0.418070 0.438808 0.139019 Al\n0.721707 0.970582 0.648048 Al\n0.093382 0.610273 0.114367 Al\n0.303678 0.793651 0.643877 Al\n0.018123 0.912478 0.845594 Al\n0.295944 0.586567 0.364846 Al\n0.584248 0.325554 0.407112 Al\n0.798221 0.826005 0.277786 Al\n0.036031 0.501029 0.684849 Al\n0.943218 0.032535 0.513325 Al\n0.393900 0.211969 0.492804 Al\n0.102206 0.703461 0.494800 Al\n0.491271 0.646825 0.140707 Al\n0.562300 0.825172 0.601453 Al\n0.519473 0.627654 0.681894 Al\n0.644027 0.465292 0.090034 Al\n0.436552 0.444842 0.572274 Al\n0.278936 0.833849 0.434565 Al\n0.406631 0.989839 0.570337 Al\n0.103142 0.884149 0.162291 Al\n0.627926 0.241542 0.163204 Al\n0.297387 0.643564 0.802527 Al\n0.888632 0.059268 0.746474 Al\n0.310057 0.591358 0.021346 Al\n0.505463 0.033115 0.760555 Al\n0.557625 0.882917 0.386932 Al\n0.335851 0.848548 0.046773 Al\n0.087853 0.902231 0.609184 Al\n0.218496 0.994484 0.755300 Al\n0.059158 0.198757 0.715412 Al\n0.002879 0.369254 0.868479 Al\n0.813505 0.333764 0.775898 Al\n0.630612 0.825446 0.803405 Al\n0.913223 0.735049 0.067724 Al\n0.488439 0.012558 0.137522 Al\n0.591793 0.145800 0.568368 Al\n0.875757 0.638879 0.832361 Al\n0.244757 0.566708 0.594761 Al\n0.158599 0.409976 0.011714 Al\n0.205839 0.220260 0.345692 Al\n0.242451 0.719978 0.216090 Al\n0.484489 0.290898 0.731710 Al\n0.081085 0.574142 0.895269 Al\n0.912399 0.602361 0.476432 Al\n0.732398 0.999722 0.430035 Al\n0.877223 0.824191 0.715763 Al\n0.354643 0.062095 0.946450 Al\n0.742888 0.472646 0.428389 Al\n0.544434 0.522302 0.318808 Al\n0.867075 0.822588 0.494050 Al\n0.973911 0.142772 0.928679 Al\n0.881864 0.415328 0.576680 Al\n0.559440 0.115717 0.340559 Al\n0.759469 0.087402 0.973703 Al\n0.786940 0.382440 0.223069 Al\n0.451993 0.487293 0.842999 Al\n0.926427 0.011578 0.289239 Al\n0.204519 0.335460 0.582679 Al\n0.384841 0.225119 0.172429 Al\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Al"
],
"chemical_system": "Al",
"density": 2.5002193184969808,
"density_atomic": 0.05580361036958565,
"volume": 1791.9987495021016,
"volume_molar": 10.791668711245636,
"formula_full": "Al100",
"formula_reduced": "Al",
"formula_anonymous": "A",
"energy": -363.12671435,
"energy_per_atom": -3.6312671434999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -363.12671435,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.476000Z",
"spacegroup": 1
},
{
"id": "mp-561513",
"created_at": "2022-09-04T14:45:38.944673Z",
"structure_string": "S28\n1.0\n6.059369 0.000000 0.000000\n-1.933828 10.161465 0.000000\n-2.150029 -1.826229 15.286325\nS\n28\ndirect\n0.087959 0.436421 0.723528 S\n0.583033 0.049485 0.675418 S\n0.305638 0.627335 0.916851 S\n0.714907 0.323203 0.468844 S\n0.016424 0.700731 0.931239 S\n0.202355 0.435958 0.854907 S\n0.912041 0.563579 0.276472 S\n0.983576 0.299269 0.068761 S\n0.124072 0.806842 0.595693 S\n0.882341 0.988043 0.111953 S\n0.875928 0.193158 0.404307 S\n0.477056 0.835953 0.218109 S\n0.694362 0.372665 0.083149 S\n0.974455 0.820678 0.833245 S\n0.659370 0.573794 0.352036 S\n0.522944 0.164047 0.781891 S\n0.025545 0.179322 0.166755 S\n0.285093 0.676797 0.531156 S\n0.536483 0.947311 0.116938 S\n0.497601 0.613436 0.627119 S\n0.710272 0.004423 0.416253 S\n0.117659 0.011957 0.888047 S\n0.289728 0.995577 0.583747 S\n0.340630 0.426206 0.647964 S\n0.416967 0.950515 0.324582 S\n0.797645 0.564042 0.145093 S\n0.463517 0.052689 0.883062 S\n0.502399 0.386564 0.372881 S\n",
"nsites": 28,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.5839867992460366,
"density_atomic": 0.029748920849330944,
"volume": 941.2106120356874,
"volume_molar": 20.24322425173093,
"formula_full": "S28",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -115.29016021,
"energy_per_atom": -4.117505721785714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -115.29016021,
"band_gap": 2.4271,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.35e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:02.573000Z",
"spacegroup": 2
}
]
}