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=57",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=55",
"results": [
{
"id": "mp-83",
"created_at": "2022-09-04T14:40:10.623824Z",
"structure_string": "S56\n1.0\n6.677540 0.000000 0.000000\n0.000000 16.643974 0.000000\n0.000000 15.732278 16.677552\nS\n56\ndirect\n0.084379 0.697093 0.786514 S\n0.584379 0.302907 0.713486 S\n0.915621 0.302907 0.213486 S\n0.415621 0.697093 0.286514 S\n0.813808 0.955757 0.426855 S\n0.313808 0.044243 0.073145 S\n0.186192 0.044243 0.573145 S\n0.686192 0.955757 0.926855 S\n0.125190 0.761166 0.417384 S\n0.625190 0.238834 0.082616 S\n0.874810 0.238834 0.582616 S\n0.374810 0.761166 0.917384 S\n0.131415 0.941607 0.441832 S\n0.631415 0.058393 0.058168 S\n0.868585 0.058393 0.558168 S\n0.368585 0.941607 0.941832 S\n0.245171 0.900304 0.319460 S\n0.745171 0.099696 0.180540 S\n0.754829 0.099696 0.680540 S\n0.254829 0.900304 0.819460 S\n0.251179 0.017982 0.336013 S\n0.751179 0.982018 0.163987 S\n0.748821 0.982018 0.663987 S\n0.248821 0.017982 0.836013 S\n0.173347 0.540658 0.886172 S\n0.673347 0.459342 0.613828 S\n0.826653 0.459342 0.113828 S\n0.326653 0.540658 0.386172 S\n0.149051 0.719331 0.688801 S\n0.649051 0.280669 0.811199 S\n0.850949 0.280669 0.311199 S\n0.350949 0.719331 0.188801 S\n0.491686 0.556532 0.882678 S\n0.991686 0.443468 0.617322 S\n0.508314 0.443468 0.117322 S\n0.008314 0.556532 0.382678 S\n0.466647 0.741770 0.678293 S\n0.966647 0.258230 0.821707 S\n0.533353 0.258230 0.321707 S\n0.033353 0.741770 0.178293 S\n0.603633 0.483599 0.849053 S\n0.103633 0.516401 0.650947 S\n0.396367 0.516401 0.150947 S\n0.896367 0.483599 0.349053 S\n0.587816 0.604932 0.715289 S\n0.087816 0.395068 0.784711 S\n0.412184 0.395068 0.284711 S\n0.912184 0.604932 0.215289 S\n0.731051 0.799504 0.480625 S\n0.231051 0.200496 0.019375 S\n0.268949 0.200496 0.519375 S\n0.768949 0.799504 0.980625 S\n0.807253 0.780653 0.403988 S\n0.307253 0.219347 0.096012 S\n0.192747 0.219347 0.596012 S\n0.692747 0.780653 0.903988 S\n",
"nsites": 56,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.608653611672593,
"density_atomic": 0.030212189262194104,
"volume": 1853.556507077604,
"volume_molar": 19.932818200420122,
"formula_full": "S56",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -229.51191942000003,
"energy_per_atom": -4.0984271325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -229.51191942000003,
"band_gap": 2.5657,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0415997,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.388000Z",
"spacegroup": 14
},
{
"id": "mp-1245041",
"created_at": "2022-09-04T14:40:42.779267Z",
"structure_string": "Si100\n1.0\n12.653798 -1.387699 2.037969\n-1.437538 12.613952 -1.773289\n1.973539 -1.676174 12.668291\nSi\n100\ndirect\n0.883672 0.340779 0.168841 Si\n0.058932 0.682773 0.610024 Si\n0.120246 0.461280 0.726731 Si\n0.852182 0.450602 0.350605 Si\n0.903925 0.938030 0.991149 Si\n0.485770 0.940738 0.242009 Si\n0.366139 0.674171 0.802085 Si\n0.296047 0.717558 0.134519 Si\n0.567081 0.601354 0.503499 Si\n0.590453 0.875143 0.927030 Si\n0.953364 0.975402 0.759825 Si\n0.639840 0.151172 0.653235 Si\n0.350687 0.091914 0.630709 Si\n0.725438 0.801361 0.643074 Si\n0.528495 0.424633 0.721894 Si\n0.432716 0.708788 0.365262 Si\n0.717241 0.323380 0.119694 Si\n0.044840 0.524290 0.331134 Si\n0.040571 0.005062 0.572656 Si\n0.126248 0.797621 0.159857 Si\n0.600045 0.638989 0.977720 Si\n0.088881 0.056672 0.307294 Si\n0.087598 0.099203 0.050986 Si\n0.336425 0.311646 0.207239 Si\n0.617255 0.587890 0.662766 Si\n0.056965 0.579061 0.903940 Si\n0.364007 0.552382 0.102545 Si\n0.427206 0.434614 0.915345 Si\n0.427401 0.866236 0.080015 Si\n0.905432 0.774689 0.730377 Si\n0.838497 0.727778 0.905066 Si\n0.866776 0.085336 0.935922 Si\n0.537241 0.065401 0.516598 Si\n0.652234 0.884068 0.227012 Si\n0.998705 0.182186 0.570725 Si\n0.933416 0.755696 0.163313 Si\n0.024490 0.223998 0.328239 Si\n0.395105 0.815540 0.705184 Si\n0.313647 0.136547 0.371544 Si\n0.159487 0.980842 0.118900 Si\n0.922349 0.936831 0.272328 Si\n0.068215 0.713236 0.429261 Si\n0.309183 0.947791 0.385276 Si\n0.095273 0.018093 0.860246 Si\n0.786081 0.982871 0.436943 Si\n0.597755 0.889513 0.429270 Si\n0.167794 0.482718 0.976296 Si\n0.152688 0.859416 0.861151 Si\n0.849882 0.944716 0.570372 Si\n0.334992 0.954444 0.868651 Si\n0.270536 0.744268 0.335777 Si\n0.760420 0.086357 0.719776 Si\n0.469021 0.289902 0.418085 Si\n0.963090 0.429549 0.016418 Si\n0.764289 0.305523 0.449340 Si\n0.084724 0.410278 0.424709 Si\n0.532587 0.616909 0.174987 Si\n0.506898 0.423477 0.150680 Si\n0.694205 0.825573 0.024228 Si\n0.993719 0.751968 0.967712 Si\n0.832670 0.412352 0.725181 Si\n0.387496 0.563521 0.469463 Si\n0.585898 0.394235 0.282385 Si\n0.160987 0.315347 0.827107 Si\n0.576296 0.115147 0.209921 Si\n0.281538 0.281248 0.918769 Si\n0.824908 0.006635 0.186882 Si\n0.617319 0.051472 0.883120 Si\n0.410219 0.386488 0.606870 Si\n0.349946 0.119191 0.818118 Si\n0.530919 0.175135 0.843745 Si\n0.685445 0.336060 0.641753 Si\n0.217647 0.672148 0.966643 Si\n0.538007 0.690546 0.839563 Si\n0.201051 0.275769 0.107407 Si\n0.011075 0.491113 0.620925 Si\n0.752247 0.638790 0.193490 Si\n0.170154 0.460783 0.153228 Si\n0.726445 0.500550 0.902585 Si\n0.811942 0.640524 0.603421 Si\n0.937566 0.181182 0.181228 Si\n0.860596 0.723632 0.447182 Si\n0.217381 0.944353 0.578868 Si\n0.563747 0.362448 0.950344 Si\n0.692256 0.137623 0.033107 Si\n0.272204 0.395034 0.401654 Si\n0.217567 0.797508 0.663277 Si\n0.968539 0.256678 0.888286 Si\n0.791846 0.484701 0.046538 Si\n0.865361 0.174512 0.466058 Si\n0.609477 0.188569 0.390336 Si\n0.190322 0.251744 0.504869 Si\n0.888717 0.254916 0.748511 Si\n0.570783 0.793384 0.569931 Si\n0.721908 0.558536 0.348853 Si\n0.120856 0.900713 0.360713 Si\n0.411037 0.153814 0.186767 Si\n0.310416 0.535175 0.656813 Si\n0.351445 0.000850 0.053224 Si\n0.266934 0.243342 0.646242 Si\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.4313031507099865,
"density_atomic": 0.052132416403008225,
"volume": 1918.192305281856,
"volume_molar": 11.551624067156228,
"formula_full": "Si100",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -511.5003629099999,
"energy_per_atom": -5.115003629099999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -511.5003629099999,
"band_gap": 0.0355999999999996,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.182000Z",
"spacegroup": 1
},
{
"id": "mp-1189505",
"created_at": "2022-09-04T14:44:27.822195Z",
"structure_string": "N16\n1.0\n0.000000 0.000000 -4.239789\n0.000000 -9.460163 0.000000\n-9.709648 0.000000 0.000000\nN\n16\ndirect\n0.000000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n0.000000 0.500000 0.000000 N\n0.000000 0.000000 0.500000 N\n0.000000 0.500000 0.377713 N\n0.000000 0.000000 0.122287 N\n0.000000 0.500000 0.622287 N\n0.000000 0.000000 0.877713 N\n0.888135 0.614897 0.000000 N\n0.111865 0.385103 0.000000 N\n0.888135 0.885103 0.500000 N\n0.111865 0.114897 0.500000 N\n0.466871 0.750000 0.250000 N\n0.533129 0.250000 0.250000 N\n0.533129 0.250000 0.750000 N\n0.466871 0.750000 0.750000 N\n",
"nsites": 16,
"nelements": 1,
"elements": [
"N"
],
"chemical_system": "N",
"density": 0.955561311721699,
"density_atomic": 0.04108408637285692,
"volume": 389.4451942971949,
"volume_molar": 14.658086114770356,
"formula_full": "N16",
"formula_reduced": "N",
"formula_anonymous": "A",
"energy": -98.54534138,
"energy_per_atom": -6.15908383625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.54534138,
"band_gap": 0.2718000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0003203,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:33.452000Z",
"spacegroup": 53
},
{
"id": "mp-8640",
"created_at": "2022-09-04T14:47:28.745801Z",
"structure_string": "Hf1\n1.0\n0.000000 2.240735 2.240735\n2.240735 0.000000 2.240735\n2.240735 2.240735 0.000000\nHf\n1\ndirect\n0.000000 0.000000 0.000000 Hf\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hf"
],
"chemical_system": "Hf",
"density": 13.172296499762645,
"density_atomic": 0.044442503042993506,
"volume": 22.500982877418128,
"volume_molar": 13.55040861261618,
"formula_full": "Hf1",
"formula_reduced": "Hf",
"formula_anonymous": "A",
"energy": -9.88478064,
"energy_per_atom": -9.88478064,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.88478064,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002323,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.047000Z",
"spacegroup": 225
},
{
"id": "mp-10661",
"created_at": "2022-09-04T14:40:43.658976Z",
"structure_string": "Tm1\n1.0\n-1.970482 1.970482 1.970482\n1.970482 -1.970482 1.970482\n1.970482 1.970482 -1.970482\nTm\n1\ndirect\n0.000000 0.000000 0.000000 Tm\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tm"
],
"chemical_system": "Tm",
"density": 9.166199288685815,
"density_atomic": 0.032675526389683796,
"volume": 30.603944618187285,
"volume_molar": 18.43012623019683,
"formula_full": "Tm1",
"formula_reduced": "Tm",
"formula_anonymous": "A",
"energy": -4.33507765,
"energy_per_atom": -4.33507765,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.33507765,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0308901,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.036000Z",
"spacegroup": 229
},
{
"id": "mp-634659",
"created_at": "2022-09-04T14:39:44.232237Z",
"structure_string": "H1\n1.0\n0.000000 2.714276 2.714276\n2.714276 0.000000 2.714276\n2.714276 2.714276 0.000000\nH\n1\ndirect\n0.000000 0.000000 0.000000 H\n",
"nsites": 1,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.04184964346674343,
"density_atomic": 0.025003913308295884,
"volume": 39.99373968666803,
"volume_molar": 24.084792991191318,
"formula_full": "H1",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -1.11598378,
"energy_per_atom": -1.11598378,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.11598378,
"band_gap": 7.5516,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.544000Z",
"spacegroup": 225
},
{
"id": "mp-103",
"created_at": "2022-09-04T14:47:38.403325Z",
"structure_string": "Hf2\n1.0\n1.599243 -2.769970 0.000000\n1.599243 2.769970 0.000000\n0.000000 0.000000 5.075185\nHf\n2\ndirect\n0.333333 0.666667 0.750000 Hf\n0.666667 0.333333 0.250000 Hf\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Hf"
],
"chemical_system": "Hf",
"density": 13.183222602971489,
"density_atomic": 0.04447936703061449,
"volume": 44.964668643405595,
"volume_molar": 13.539178189867338,
"formula_full": "Hf2",
"formula_reduced": "Hf",
"formula_anonymous": "A",
"energy": -19.9143777,
"energy_per_atom": -9.95718885,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.9143777,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002727,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:20.626000Z",
"spacegroup": 194
},
{
"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-10750",
"created_at": "2022-09-04T14:45:15.420176Z",
"structure_string": "Dy1\n1.0\n0.000000 2.505869 2.505869\n2.505869 0.000000 2.505869\n2.505869 2.505869 0.000000\nDy\n1\ndirect\n0.500000 0.500000 0.500000 Dy\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Dy"
],
"chemical_system": "Dy",
"density": 8.574274371555358,
"density_atomic": 0.03177568442966833,
"volume": 31.470604581732307,
"volume_molar": 18.952041059349284,
"formula_full": "Dy1",
"formula_reduced": "Dy",
"formula_anonymous": "A",
"energy": -4.58546351,
"energy_per_atom": -4.58546351,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.58546351,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020972,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:06.404000Z",
"spacegroup": 225
},
{
"id": "mp-976411",
"created_at": "2022-09-04T14:39:46.779491Z",
"structure_string": "Li4\n1.0\n1.535535 -2.659625 0.000000\n1.535535 2.659625 0.000000\n0.000000 0.000000 9.825363\nLi\n4\ndirect\n0.000000 0.000000 0.000000 Li\n0.333333 0.666667 0.250000 Li\n0.000000 0.000000 0.500000 Li\n0.666667 0.333333 0.750000 Li\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.5744766835932253,
"density_atomic": 0.04984266608747936,
"volume": 80.25252888718995,
"volume_molar": 12.0823006326156,
"formula_full": "Li4",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy": -7.62450131,
"energy_per_atom": -1.9061253275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.62450131,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007189,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.452000Z",
"spacegroup": 194
},
{
"id": "mp-610917",
"created_at": "2022-09-04T14:47:46.278138Z",
"structure_string": "O2\n1.0\n3.858081 -1.673188 0.000000\n3.858081 1.673188 0.000000\n3.132446 0.000000 2.805732\nO\n2\ndirect\n0.944954 0.944954 0.944954 O\n0.055046 0.055046 0.055046 O\n",
"nsites": 2,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.4668662819670022,
"density_atomic": 0.055212540652498636,
"volume": 36.22365456043346,
"volume_molar": 10.90719733022731,
"formula_full": "O2",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -9.87170491,
"energy_per_atom": -4.935852455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.87170491,
"band_gap": 1.2858,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9994235,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:21.068000Z",
"spacegroup": 166
},
{
"id": "mp-111",
"created_at": "2022-09-04T14:39:18.736271Z",
"structure_string": "Ne1\n1.0\n0.000000 2.151913 2.151913\n2.151913 0.000000 2.151913\n2.151913 2.151913 0.000000\nNe\n1\ndirect\n0.000000 0.000000 0.000000 Ne\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ne"
],
"chemical_system": "Ne",
"density": 1.6813560067118354,
"density_atomic": 0.05017598152395371,
"volume": 19.92985427744161,
"volume_molar": 12.002038778504145,
"formula_full": "Ne1",
"formula_reduced": "Ne",
"formula_anonymous": "A",
"energy": -0.02593678,
"energy_per_atom": -0.02593678,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.02593678,
"band_gap": 11.6041,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 6.25e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:39.586000Z",
"spacegroup": 225
}
]
}