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=nelements&page=4",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=2",
"results": [
{
"id": "mp-1268191",
"created_at": "2022-09-04T14:46:00.040820Z",
"structure_string": "Si6\n1.0\n6.887153 0.000000 0.000000\n-3.443577 5.964449 0.000000\n0.000000 0.000000 2.464314\nSi\n6\ndirect\n0.145393 0.718647 0.000000 Si\n0.281353 0.426746 0.000000 Si\n0.573254 0.854607 0.000000 Si\n0.854607 0.281353 0.000000 Si\n0.718647 0.573254 0.000000 Si\n0.426746 0.145393 0.000000 Si\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.7642441742530486,
"density_atomic": 0.059271394556317525,
"volume": 101.22926995245604,
"volume_molar": 10.16028187809548,
"formula_full": "Si6",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -30.39164133,
"energy_per_atom": -5.065273555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.39164133,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0031506,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.436000Z",
"spacegroup": 175
},
{
"id": "mp-979286",
"created_at": "2022-09-04T14:46:00.044267Z",
"structure_string": "Xe1\n1.0\n3.564170 -3.059918 0.000000\n3.564170 3.059918 0.000000\n0.937162 0.000000 4.603057\nXe\n1\ndirect\n0.500000 0.500000 0.500000 Xe\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Xe"
],
"chemical_system": "Xe",
"density": 2.17143144245685,
"density_atomic": 0.009959910887620821,
"volume": 100.40250472952529,
"volume_molar": 60.4638016137767,
"formula_full": "Xe1",
"formula_reduced": "Xe",
"formula_anonymous": "A",
"energy": -0.03016646,
"energy_per_atom": -0.03016646,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.03016646,
"band_gap": 6.1713000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.07e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.249000Z",
"spacegroup": 166
},
{
"id": "mp-1012110",
"created_at": "2022-09-04T14:46:10.006807Z",
"structure_string": "Cs4\n1.0\n5.354405 0.000000 0.000000\n0.000000 8.731849 0.000000\n0.000000 0.000000 10.022037\nCs\n4\ndirect\n0.732089 0.750000 0.391224 Cs\n0.267911 0.250000 0.608776 Cs\n0.732089 0.250000 0.108776 Cs\n0.267911 0.750000 0.891224 Cs\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.8839893745320324,
"density_atomic": 0.008536631902981455,
"volume": 468.5688741719065,
"volume_molar": 70.54469290044874,
"formula_full": "Cs4",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -3.39635312,
"energy_per_atom": -0.84908828,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.39635312,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038977,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:23.978000Z",
"spacegroup": 57
},
{
"id": "mp-569358",
"created_at": "2022-09-04T14:46:15.285621Z",
"structure_string": "Bi2\n1.0\n3.230643 0.000000 0.000000\n0.000000 5.869730 0.000000\n0.000000 0.000000 5.967808\nBi\n2\ndirect\n0.120382 0.000000 0.750000 Bi\n0.879618 0.000000 0.250000 Bi\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 6.132855229333149,
"density_atomic": 0.01767290973914756,
"volume": 113.16755585356532,
"volume_molar": 34.075547540766614,
"formula_full": "Bi2",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy": -6.58127283,
"energy_per_atom": -3.290636415,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.58127283,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.255105,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.429000Z",
"spacegroup": 51
},
{
"id": "mp-1104251",
"created_at": "2022-09-04T14:46:16.428869Z",
"structure_string": "B15\n1.0\n2.902644 1.675842 4.012051\n-2.902644 1.675842 4.012051\n0.000000 -3.351684 4.012051\nB\n15\ndirect\n0.500000 0.500000 0.500000 B\n0.699020 0.192817 0.192817 B\n0.192817 0.192817 0.699020 B\n0.192817 0.699020 0.192817 B\n0.300980 0.807183 0.807183 B\n0.807183 0.807183 0.300980 B\n0.807183 0.300980 0.807183 B\n0.670611 0.993136 0.993136 B\n0.993136 0.993136 0.670611 B\n0.993136 0.670611 0.993136 B\n0.329389 0.006864 0.006864 B\n0.006864 0.006864 0.329389 B\n0.006864 0.329389 0.006864 B\n0.365933 0.365933 0.365933 B\n0.634067 0.634067 0.634067 B\n",
"nsites": 15,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.299649687534881,
"density_atomic": 0.1280992888891955,
"volume": 117.09666876429608,
"volume_molar": 4.701150812171242,
"formula_full": "B15",
"formula_reduced": "B",
"formula_anonymous": "A",
"energy": -96.97087106,
"energy_per_atom": -6.4647247373333325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.97087106,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005542,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:33.514000Z",
"spacegroup": 166
},
{
"id": "mp-1245108",
"created_at": "2022-09-04T14:46:19.126803Z",
"structure_string": "Fe100\n1.0\n10.405638 0.047555 -0.110238\n0.044125 10.706984 0.183230\n-0.107483 0.189424 10.453722\nFe\n100\ndirect\n0.567781 0.461286 0.603950 Fe\n0.821536 0.247467 0.372452 Fe\n0.852598 0.822227 0.738120 Fe\n0.169268 0.655136 0.960521 Fe\n0.784930 0.192604 0.583042 Fe\n0.701780 0.767452 0.121921 Fe\n0.389336 0.447863 0.737528 Fe\n0.005843 0.480840 0.776838 Fe\n0.970474 0.350322 0.544878 Fe\n0.035037 0.285871 0.961872 Fe\n0.213263 0.422299 0.896792 Fe\n0.146441 0.100203 0.085120 Fe\n0.905459 0.248661 0.767064 Fe\n0.033310 0.071997 0.873410 Fe\n0.127892 0.618850 0.239258 Fe\n0.410993 0.542599 0.946840 Fe\n0.416493 0.171781 0.483713 Fe\n0.088448 0.832294 0.827977 Fe\n0.805615 0.173946 0.959576 Fe\n0.567580 0.990300 0.217917 Fe\n0.596353 0.660055 0.505777 Fe\n0.389127 0.976653 0.617121 Fe\n0.276858 0.500190 0.120583 Fe\n0.500982 0.210051 0.277421 Fe\n0.186191 0.005161 0.475483 Fe\n0.645086 0.033834 0.873418 Fe\n0.387549 0.785466 0.483820 Fe\n0.603507 0.286860 0.477774 Fe\n0.822959 0.042891 0.761049 Fe\n0.907512 0.902240 0.200198 Fe\n0.934780 0.114367 0.148778 Fe\n0.332930 0.357608 0.296611 Fe\n0.042868 0.209335 0.352023 Fe\n0.446553 0.314061 0.908417 Fe\n0.247490 0.815110 0.310962 Fe\n0.737443 0.867605 0.333521 Fe\n0.372380 0.387024 0.506270 Fe\n0.874585 0.323121 0.125569 Fe\n0.687779 0.389853 0.249257 Fe\n0.965943 0.574161 0.469061 Fe\n0.025641 0.812735 0.397888 Fe\n0.245494 0.950157 0.957674 Fe\n0.420546 0.988258 0.385122 Fe\n0.572483 0.872629 0.728206 Fe\n0.006203 0.124577 0.595512 Fe\n0.539216 0.596430 0.147528 Fe\n0.911262 0.667947 0.921723 Fe\n0.913873 0.904358 0.966488 Fe\n0.350036 0.603144 0.322633 Fe\n0.601792 0.455946 0.820371 Fe\n0.322446 0.245040 0.101241 Fe\n0.260865 0.147406 0.303573 Fe\n0.643417 0.243231 0.785679 Fe\n0.833799 0.426036 0.904930 Fe\n0.658683 0.347635 0.020263 Fe\n0.244861 0.630193 0.749796 Fe\n0.929325 0.449523 0.293318 Fe\n0.148794 0.436288 0.386344 Fe\n0.100570 0.988602 0.270445 Fe\n0.772862 0.393886 0.681428 Fe\n0.676656 0.604173 0.938632 Fe\n0.508084 0.784658 0.280209 Fe\n0.712127 0.819149 0.900556 Fe\n0.712321 0.172015 0.189515 Fe\n0.333476 0.735460 0.106445 Fe\n0.022230 0.506259 0.053572 Fe\n0.720359 0.621200 0.312070 Fe\n0.375923 0.590346 0.565148 Fe\n0.526917 0.478913 0.364838 Fe\n0.586679 0.881815 0.503075 Fe\n0.657545 0.080897 0.404023 Fe\n0.017084 0.682020 0.661106 Fe\n0.811117 0.739990 0.515962 Fe\n0.347591 0.822825 0.815258 Fe\n0.581629 0.089170 0.632887 Fe\n0.213431 0.818142 0.619670 Fe\n0.732134 0.984371 0.076596 Fe\n0.507430 0.729220 0.959269 Fe\n0.762209 0.614188 0.707250 Fe\n0.124025 0.268484 0.735300 Fe\n0.330285 0.971784 0.172717 Fe\n0.199718 0.235484 0.520046 Fe\n0.902859 0.028452 0.392534 Fe\n0.480330 0.394615 0.130763 Fe\n0.199724 0.032241 0.723477 Fe\n0.489599 0.920636 0.011505 Fe\n0.779448 0.964555 0.566165 Fe\n0.916461 0.687598 0.214644 Fe\n0.531234 0.147723 0.038824 Fe\n0.178563 0.650727 0.476062 Fe\n0.101594 0.825169 0.106866 Fe\n0.364109 0.232637 0.694368 Fe\n0.759712 0.467768 0.469509 Fe\n0.253753 0.180205 0.901113 Fe\n0.431806 0.059378 0.832784 Fe\n0.172311 0.460568 0.617059 Fe\n0.120773 0.330606 0.175994 Fe\n0.788002 0.535131 0.107742 Fe\n0.506368 0.657324 0.740024 Fe\n0.004164 0.909981 0.602834 Fe\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Fe"
],
"chemical_system": "Fe",
"density": 7.965581247011818,
"density_atomic": 0.08589820310018596,
"volume": 1164.1687065719714,
"volume_molar": 7.010787819363548,
"formula_full": "Fe100",
"formula_reduced": "Fe",
"formula_anonymous": "A",
"energy": -819.05657127,
"energy_per_atom": -8.1905657127,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -819.05657127,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 205.3566831,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.320000Z",
"spacegroup": 1
},
{
"id": "mp-11",
"created_at": "2022-09-04T14:45:18.165718Z",
"structure_string": "As2\n1.0\n3.707423 -1.913943 0.000000\n3.707423 1.913943 0.000000\n2.719357 0.000000 3.164373\nAs\n2\ndirect\n0.227320 0.227320 0.227320 As\n0.772680 0.772680 0.772680 As\n",
"nsites": 2,
"nelements": 1,
"elements": [
"As"
],
"chemical_system": "As",
"density": 5.540734383642445,
"density_atomic": 0.04453599814152073,
"volume": 44.90749244340856,
"volume_molar": 13.521962033642135,
"formula_full": "As2",
"formula_reduced": "As",
"formula_anonymous": "A",
"energy": -9.31823681,
"energy_per_atom": -4.659118405,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.31823681,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001467,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:00.468000Z",
"spacegroup": 166
},
{
"id": "mp-1096826",
"created_at": "2022-09-04T14:45:18.336401Z",
"structure_string": "As1\n1.0\n0.000000 2.133318 2.133318\n2.133318 0.000000 2.133318\n2.133318 2.133318 0.000000\nAs\n1\ndirect\n0.500000 0.500000 0.500000 As\n",
"nsites": 1,
"nelements": 1,
"elements": [
"As"
],
"chemical_system": "As",
"density": 6.407068275258615,
"density_atomic": 0.051499523536432355,
"volume": 19.417655374861265,
"volume_molar": 11.693585389658512,
"formula_full": "As1",
"formula_reduced": "As",
"formula_anonymous": "A",
"energy": -4.10052398,
"energy_per_atom": -4.10052398,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.10052398,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002499,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.996000Z",
"spacegroup": 225
},
{
"id": "mp-1094122",
"created_at": "2022-09-04T14:45:20.060288Z",
"structure_string": "Mg3\n1.0\n7.698262 -1.605623 0.000000\n7.698262 1.605623 0.000000\n7.363377 0.000000 2.760785\nMg\n3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.222208 0.222208 0.222208 Mg\n0.777792 0.777792 0.777792 Mg\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.7740551923933052,
"density_atomic": 0.04395642908164325,
"volume": 68.24940202553526,
"volume_molar": 13.700250192786749,
"formula_full": "Mg3",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy": -4.79068775,
"energy_per_atom": -1.5968959166666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.79068775,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00031,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.151000Z",
"spacegroup": 166
},
{
"id": "mp-1184367",
"created_at": "2022-09-04T14:45:21.979562Z",
"structure_string": "Eu4\n1.0\n1.979594 -3.428757 0.000000\n1.979594 3.428757 0.000000\n0.000000 0.000000 12.860896\nEu\n4\ndirect\n0.000000 0.000000 0.000000 Eu\n0.333333 0.666667 0.250000 Eu\n0.000000 0.000000 0.500000 Eu\n0.666667 0.333333 0.750000 Eu\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Eu"
],
"chemical_system": "Eu",
"density": 5.78143633122631,
"density_atomic": 0.02291109959836192,
"volume": 174.5878665852419,
"volume_molar": 26.284817689110685,
"formula_full": "Eu4",
"formula_reduced": "Eu",
"formula_anonymous": "A",
"energy": -41.01005896,
"energy_per_atom": -10.25251474,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.01005896,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 30.3073793,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.367000Z",
"spacegroup": 194
},
{
"id": "mp-731594",
"created_at": "2022-09-04T14:45:24.759475Z",
"structure_string": "C28\n1.0\n6.073984 0.000000 0.000000\n0.000000 8.523852 0.000000\n0.000000 1.354005 9.365351\nC\n28\ndirect\n0.400142 0.839098 0.682930 C\n0.900142 0.160902 0.317070 C\n0.573292 0.923263 0.655372 C\n0.073292 0.076737 0.344628 C\n0.732393 0.958008 0.740636 C\n0.232393 0.041992 0.259364 C\n0.723456 0.904587 0.873213 C\n0.223456 0.095413 0.126787 C\n0.697664 0.766715 0.189363 C\n0.197664 0.233285 0.810637 C\n0.679220 0.707410 0.320179 C\n0.179220 0.292590 0.679821 C\n0.507011 0.619938 0.365579 C\n0.007011 0.380062 0.634421 C\n0.340965 0.581711 0.294783 C\n0.840965 0.418289 0.705217 C\n0.204185 0.629434 0.034471 C\n0.704185 0.370566 0.965529 C\n0.217740 0.682186 0.905910 C\n0.717740 0.317814 0.094090 C\n0.374926 0.775452 0.827135 C\n0.874926 0.224548 0.172865 C\n0.554413 0.809338 0.936676 C\n0.054413 0.190662 0.063324 C\n0.540874 0.745332 0.086499 C\n0.040874 0.254668 0.913501 C\n0.343218 0.641030 0.148852 C\n0.843218 0.358970 0.851148 C\n",
"nsites": 28,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.1517065730554996,
"density_atomic": 0.05774633534726772,
"volume": 484.87925392351025,
"volume_molar": 10.428611138325573,
"formula_full": "C28",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -216.37028933,
"energy_per_atom": -7.727510333214285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -216.37028933,
"band_gap": 1.6096,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002781,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:02.223000Z",
"spacegroup": 4
},
{
"id": "mp-624889",
"created_at": "2022-09-04T14:46:25.902951Z",
"structure_string": "C8\n1.0\n2.459909 -2.558498 0.000000\n2.459909 2.558498 0.000000\n0.000000 0.000000 5.431344\nC\n8\ndirect\n0.250000 0.250000 0.130661 C\n0.891782 0.391782 0.763364 C\n0.750000 0.750000 0.130661 C\n0.250000 0.250000 0.869339 C\n0.750000 0.750000 0.869339 C\n0.608218 0.108218 0.763364 C\n0.108218 0.608218 0.236636 C\n0.391782 0.891782 0.236636 C\n",
"nsites": 8,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.333812570762009,
"density_atomic": 0.1170168917169127,
"volume": 68.36619809859249,
"volume_molar": 5.146385852197105,
"formula_full": "C8",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -63.78070005,
"energy_per_atom": -7.97258750625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.78070005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002641,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.316000Z",
"spacegroup": 67
}
]
}