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=12193",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=12191",
"results": [
{
"id": "mp-10765",
"created_at": "2022-09-04T14:44:42.412163Z",
"structure_string": "Ho1\n1.0\n0.000000 2.491822 2.491822\n2.491822 0.000000 2.491822\n2.491822 2.491822 0.000000\nHo\n1\ndirect\n0.000000 0.000000 0.000000 Ho\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ho"
],
"chemical_system": "Ho",
"density": 8.85051527311001,
"density_atomic": 0.0323161010004815,
"volume": 30.944327101375887,
"volume_molar": 18.63510935279684,
"formula_full": "Ho1",
"formula_reduced": "Ho",
"formula_anonymous": "A",
"energy": -4.55874995,
"energy_per_atom": -4.55874995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.55874995,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029465,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:42.289000Z",
"spacegroup": 225
},
{
"id": "mp-1064227",
"created_at": "2022-09-04T14:44:42.184887Z",
"structure_string": "Ca2\n1.0\n1.946036 -3.393191 0.000000\n1.946036 3.393191 0.000000\n0.000000 0.000000 6.430438\nCa\n2\ndirect\n0.840980 0.159020 0.250000 Ca\n0.159020 0.840980 0.750000 Ca\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.567311811896212,
"density_atomic": 0.02355050738387993,
"volume": 84.92386033979797,
"volume_molar": 25.57117204244224,
"formula_full": "Ca2",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy": -3.99692089,
"energy_per_atom": -1.998460445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.99692089,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0153304,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.964000Z",
"spacegroup": 63
},
{
"id": "mp-1065697",
"created_at": "2022-09-04T14:45:58.744371Z",
"structure_string": "O1\n1.0\n2.352226 0.000000 0.000000\n0.000000 2.352226 0.000000\n0.000000 0.000000 1.544743\nO\n1\ndirect\n0.000000 0.000000 0.000000 O\n",
"nsites": 1,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 3.1084112044634713,
"density_atomic": 0.11699994887126487,
"volume": 8.547012282033565,
"volume_molar": 5.147131103985495,
"formula_full": "O1",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -3.36863,
"energy_per_atom": -3.36863,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.36863,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024843,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.712000Z",
"spacegroup": 123
},
{
"id": "mp-974400",
"created_at": "2022-09-04T14:46:04.505326Z",
"structure_string": "Kr1\n1.0\n-2.506583 2.506583 2.506583\n2.506583 -2.506583 2.506583\n2.506583 2.506583 -2.506583\nKr\n1\ndirect\n0.000000 0.000000 0.000000 Kr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Kr"
],
"chemical_system": "Kr",
"density": 2.2089022111343932,
"density_atomic": 0.01587426912948227,
"volume": 62.99502621779063,
"volume_molar": 37.93649150634256,
"formula_full": "Kr1",
"formula_reduced": "Kr",
"formula_anonymous": "A",
"energy": -0.05441248,
"energy_per_atom": -0.05441248,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.05441248,
"band_gap": 7.1667,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.091000Z",
"spacegroup": 229
},
{
"id": "mp-1184113",
"created_at": "2022-09-04T14:46:03.813299Z",
"structure_string": "Er4\n1.0\n1.757746 -3.044506 0.000000\n1.757746 3.044506 0.000000\n0.000000 0.000000 11.379758\nEr\n4\ndirect\n0.000000 0.000000 0.000000 Er\n0.333333 0.666667 0.250000 Er\n0.000000 0.000000 0.500000 Er\n0.666667 0.333333 0.750000 Er\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Er"
],
"chemical_system": "Er",
"density": 9.121423285931561,
"density_atomic": 0.03284157801876396,
"volume": 121.79682711088394,
"volume_molar": 18.33694092457818,
"formula_full": "Er4",
"formula_reduced": "Er",
"formula_anonymous": "A",
"energy": -18.23947504,
"energy_per_atom": -4.55986876,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.23947504,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0156456,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.031000Z",
"spacegroup": 194
},
{
"id": "mp-729184",
"created_at": "2022-09-04T14:46:01.480229Z",
"structure_string": "B40\n1.0\n5.198302 0.000000 0.000000\n0.000000 11.824588 0.000000\n0.000000 4.612363 11.206722\nB\n40\ndirect\n0.021152 0.205527 0.141235 B\n0.978848 0.794473 0.858765 B\n0.978848 0.705527 0.641235 B\n0.021152 0.294473 0.358765 B\n0.830197 0.322558 0.136969 B\n0.169803 0.677442 0.863031 B\n0.169803 0.822558 0.636969 B\n0.830197 0.177442 0.363031 B\n0.129712 0.342279 0.103077 B\n0.870288 0.657721 0.896923 B\n0.870288 0.842279 0.603077 B\n0.129712 0.157721 0.396923 B\n0.029288 0.392191 0.200900 B\n0.970712 0.607809 0.799100 B\n0.970712 0.892191 0.700900 B\n0.029288 0.107809 0.299100 B\n0.769995 0.325320 0.272605 B\n0.230005 0.674680 0.727395 B\n0.230005 0.825320 0.772605 B\n0.769995 0.174680 0.227395 B\n0.520694 0.632995 0.215925 B\n0.479306 0.367005 0.784075 B\n0.479306 0.132995 0.715925 B\n0.520694 0.867005 0.284075 B\n0.328565 0.636624 0.326816 B\n0.671435 0.363376 0.673184 B\n0.671435 0.136624 0.826816 B\n0.328565 0.863376 0.173184 B\n0.627088 0.601705 0.348618 B\n0.372912 0.398295 0.651382 B\n0.372912 0.101705 0.848618 B\n0.627088 0.898295 0.151382 B\n0.527466 0.708682 0.388436 B\n0.472534 0.291318 0.611564 B\n0.472534 0.208682 0.888436 B\n0.527466 0.791318 0.111564 B\n0.269063 0.720968 0.180416 B\n0.730937 0.279032 0.819584 B\n0.730937 0.220968 0.680416 B\n0.269063 0.779032 0.319584 B\n",
"nsites": 40,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 1.0424346366010313,
"density_atomic": 0.058067598898161994,
"volume": 688.8523162487112,
"volume_molar": 10.370914028254436,
"formula_full": "B40",
"formula_reduced": "B",
"formula_anonymous": "A",
"energy": -207.23106769,
"energy_per_atom": -5.18077669225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -207.23106769,
"band_gap": 0.5116,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007432,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:17.574000Z",
"spacegroup": 13
},
{
"id": "mp-1184709",
"created_at": "2022-09-04T14:46:03.431753Z",
"structure_string": "Hg4\n1.0\n1.796341 -3.111354 0.000000\n1.796341 3.111354 0.000000\n0.000000 0.000000 11.478087\nHg\n4\ndirect\n0.000000 0.000000 0.000000 Hg\n0.333333 0.666667 0.250000 Hg\n0.000000 0.000000 0.500000 Hg\n0.666667 0.333333 0.750000 Hg\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.384381870106305,
"density_atomic": 0.031176135076017443,
"volume": 128.30326755535006,
"volume_molar": 19.31650842965648,
"formula_full": "Hg4",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -1.18847314,
"energy_per_atom": -0.297118285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.18847314,
"band_gap": 0.2567,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000345,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.806000Z",
"spacegroup": 194
},
{
"id": "mp-990448",
"created_at": "2022-09-04T14:46:01.467739Z",
"structure_string": "C2\n1.0\n1.234208 -2.137711 0.000000\n1.234208 2.137711 0.000000\n0.000000 0.000000 9.999058\nC\n2\ndirect\n0.333333 0.666667 0.000000 C\n0.666667 0.333333 0.000000 C\n",
"nsites": 2,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 0.7559985807980227,
"density_atomic": 0.03790561640453306,
"volume": 52.76262964980629,
"volume_molar": 15.887199130944149,
"formula_full": "C2",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -18.4390575,
"energy_per_atom": -9.21952875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.4390575,
"band_gap": 9.9999999999989e-05,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003417,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.639000Z",
"spacegroup": 191
},
{
"id": "mp-998861",
"created_at": "2022-09-04T14:45:58.407954Z",
"structure_string": "Br1\n1.0\n0.000000 2.362556 2.362556\n2.362556 0.000000 2.362556\n2.362556 2.362556 0.000000\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 5.030849068090698,
"density_atomic": 0.037916100872080034,
"volume": 26.374019928203158,
"volume_molar": 15.882806041468449,
"formula_full": "Br1",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -0.97066589,
"energy_per_atom": -0.97066589,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.97066589,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0652367,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.184000Z",
"spacegroup": 225
},
{
"id": "mp-38",
"created_at": "2022-09-04T14:46:06.763435Z",
"structure_string": "Pr4\n1.0\n1.871494 -3.241523 0.000000\n1.871494 3.241523 0.000000\n0.000000 0.000000 12.022758\nPr\n4\ndirect\n0.000000 0.000000 0.000000 Pr\n0.000000 0.000000 0.500000 Pr\n0.333333 0.666667 0.250000 Pr\n0.666667 0.333333 0.750000 Pr\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Pr"
],
"chemical_system": "Pr",
"density": 6.416113132121284,
"density_atomic": 0.027421319159798334,
"volume": 145.87190268600548,
"volume_molar": 21.96152827260368,
"formula_full": "Pr4",
"formula_reduced": "Pr",
"formula_anonymous": "A",
"energy": -19.12359658,
"energy_per_atom": -4.780899145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.12359658,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0209798,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:15.449000Z",
"spacegroup": 194
},
{
"id": "mp-8633",
"created_at": "2022-09-04T14:41:22.753562Z",
"structure_string": "Cr1\n1.0\n0.000000 1.812208 1.812208\n1.812208 0.000000 1.812208\n1.812208 1.812208 0.000000\nCr\n1\ndirect\n0.000000 0.000000 0.000000 Cr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cr"
],
"chemical_system": "Cr",
"density": 7.253802758851251,
"density_atomic": 0.0840128803394382,
"volume": 11.902936739696207,
"volume_molar": 7.168116050382605,
"formula_full": "Cr1",
"formula_reduced": "Cr",
"formula_anonymous": "A",
"energy": -9.25052113,
"energy_per_atom": -9.25052113,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.25052113,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0090369,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.017000Z",
"spacegroup": 225
},
{
"id": "mp-1197903",
"created_at": "2022-09-04T14:41:26.427719Z",
"structure_string": "C80\n1.0\n7.571152 0.000000 0.000000\n-2.374877 8.878328 0.000000\n-2.767805 -4.087424 23.022739\nC\n80\ndirect\n0.274381 0.493366 0.004922 C\n0.433610 0.480803 0.997758 C\n0.577207 0.485377 0.036976 C\n0.667848 0.519697 0.087519 C\n0.675754 0.584601 0.145656 C\n0.813343 0.650531 0.193971 C\n0.886498 0.724528 0.242853 C\n0.879332 0.819001 0.292334 C\n0.884953 0.869249 0.351301 C\n0.723445 0.857703 0.310872 C\n0.538792 0.805627 0.317462 C\n0.413856 0.746132 0.265325 C\n0.341064 0.696732 0.214022 C\n0.336863 0.631831 0.155377 C\n0.198407 0.548866 0.047863 C\n0.216604 0.592234 0.101763 C\n0.504078 0.605999 0.150762 C\n0.678689 0.818491 0.415872 C\n0.842341 0.850957 0.405835 C\n0.507365 0.772036 0.376645 C\n0.781632 0.947230 0.066661 C\n0.623607 0.968814 0.068205 C\n0.568947 0.052347 0.109919 C\n0.607146 0.145433 0.157003 C\n0.755300 0.206653 0.200340 C\n0.855765 0.262770 0.255975 C\n0.872565 0.315270 0.315499 C\n0.996246 0.358799 0.358931 C\n0.157153 0.397756 0.398682 C\n0.276131 0.298128 0.391487 C\n0.393179 0.280762 0.347364 C\n0.345019 0.227003 0.288792 C\n0.247712 0.182235 0.240363 C\n0.094435 0.150746 0.195433 C\n0.955017 0.992179 0.094282 C\n0.061013 0.060913 0.140452 C\n0.946302 0.205486 0.212996 C\n0.311891 0.536496 0.398451 C\n0.348093 0.674705 0.386694 C\n0.437538 0.414595 0.388844 C\n0.952446 0.540163 0.554840 C\n0.796624 0.567066 0.557353 C\n0.741229 0.625144 0.604482 C\n0.760468 0.697424 0.655522 C\n0.871136 0.751544 0.710255 C\n0.853133 0.809223 0.766985 C\n0.900571 0.849154 0.820025 C\n0.012607 0.850906 0.871160 C\n0.143320 0.916182 0.922654 C\n0.180960 0.813579 0.877608 C\n0.359354 0.830514 0.860101 C\n0.356740 0.761753 0.802510 C\n0.313683 0.717858 0.749490 C\n0.200425 0.692196 0.694571 C\n0.120463 0.579511 0.585673 C\n0.202219 0.628884 0.637098 C\n0.038066 0.727226 0.701161 C\n0.416578 0.012548 0.939662 C\n0.273387 0.039597 0.962327 C\n0.493538 0.948677 0.899849 C\n0.613663 0.368920 0.879189 C\n0.753858 0.321342 0.890798 C\n0.845524 0.252540 0.856006 C\n0.873330 0.208326 0.805746 C\n0.786595 0.194654 0.750241 C\n0.727819 0.143135 0.690625 C\n0.717683 0.058826 0.636372 C\n0.669488 0.030414 0.583109 C\n0.558784 0.038657 0.531765 C\n0.396899 0.077168 0.545979 C\n0.308690 0.179980 0.564252 C\n0.302843 0.256890 0.618554 C\n0.370075 0.284729 0.670538 C\n0.483902 0.300663 0.724173 C\n0.461913 0.363338 0.779528 C\n0.507799 0.389751 0.833424 C\n0.633350 0.234089 0.720646 C\n0.438061 0.137058 0.472622 C\n0.592128 0.087382 0.477134 C\n0.317329 0.176704 0.503216 C\n",
"nsites": 80,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.0309966710502538,
"density_atomic": 0.051693965200210454,
"volume": 1547.5694249833693,
"volume_molar": 11.64960114140264,
"formula_full": "C80",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -625.45326199,
"energy_per_atom": -7.818165774875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -625.45326199,
"band_gap": 0.0797,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0054643,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.931000Z",
"spacegroup": 1
}
]
}