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=12188",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=12186",
"results": [
{
"id": "mp-1183144",
"created_at": "2022-09-04T14:42:52.372727Z",
"structure_string": "Al4\n1.0\n1.428573 -2.474362 0.000000\n1.428573 2.474362 0.000000\n0.000000 0.000000 9.296985\nAl\n4\ndirect\n0.000000 0.000000 0.000000 Al\n0.333333 0.666667 0.250000 Al\n0.000000 0.000000 0.500000 Al\n0.666667 0.333333 0.750000 Al\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Al"
],
"chemical_system": "Al",
"density": 2.726704024337018,
"density_atomic": 0.060858632617380067,
"volume": 65.7260905802487,
"volume_molar": 9.895294226969193,
"formula_full": "Al4",
"formula_reduced": "Al",
"formula_anonymous": "A",
"energy": -14.93651943,
"energy_per_atom": -3.7341298575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.93651943,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.21e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.115000Z",
"spacegroup": 194
},
{
"id": "mp-567313",
"created_at": "2022-09-04T14:43:00.719219Z",
"structure_string": "Te3\n1.0\n2.253370 -3.902951 0.000000\n2.253370 3.902951 0.000000\n0.000000 0.000000 5.962127\nTe\n3\ndirect\n0.000000 0.269108 0.333333 Te\n0.269108 0.000000 0.666667 Te\n0.730892 0.730892 0.000000 Te\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Te"
],
"chemical_system": "Te",
"density": 6.0612779692512415,
"density_atomic": 0.02860648050856755,
"volume": 104.87134197097436,
"volume_molar": 21.051666101310115,
"formula_full": "Te3",
"formula_reduced": "Te",
"formula_anonymous": "A",
"energy": -9.42984729,
"energy_per_atom": -3.1432824299999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.42984729,
"band_gap": 0.5124000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.31e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.070000Z",
"spacegroup": 154
},
{
"id": "mp-1197206",
"created_at": "2022-09-04T14:42:49.835794Z",
"structure_string": "U32\n1.0\n0.000000 0.000000 -5.061156\n0.000000 -5.868955 0.000000\n-22.761924 0.000000 0.000000\nU\n32\ndirect\n0.000000 0.215704 0.500000 U\n0.000000 0.215704 0.000000 U\n0.000000 0.784296 0.500000 U\n0.000000 0.784296 0.000000 U\n0.989198 0.281920 0.750000 U\n0.010802 0.281920 0.250000 U\n0.010802 0.718080 0.250000 U\n0.989198 0.718080 0.750000 U\n0.496094 0.283089 0.561302 U\n0.503906 0.283089 0.438698 U\n0.496094 0.283089 0.938698 U\n0.503906 0.283089 0.061302 U\n0.503906 0.716911 0.438698 U\n0.496094 0.716911 0.561302 U\n0.503906 0.716911 0.061302 U\n0.496094 0.716911 0.938698 U\n0.992340 0.222753 0.624313 U\n0.007660 0.222753 0.375687 U\n0.992340 0.222753 0.875687 U\n0.007660 0.222753 0.124313 U\n0.007660 0.777247 0.375687 U\n0.992340 0.777247 0.624313 U\n0.007660 0.777247 0.124313 U\n0.992340 0.777247 0.875687 U\n0.489469 0.223072 0.688054 U\n0.510531 0.223072 0.311946 U\n0.489469 0.223072 0.811946 U\n0.510531 0.223072 0.188054 U\n0.510531 0.776928 0.311946 U\n0.489469 0.776928 0.688054 U\n0.510531 0.776928 0.188054 U\n0.489469 0.776928 0.811946 U\n",
"nsites": 32,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 18.707222485190716,
"density_atomic": 0.047329346285452274,
"volume": 676.1132893533311,
"volume_molar": 12.723904369351153,
"formula_full": "U32",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -349.9526744,
"energy_per_atom": -10.936021075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -349.9526744,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038817,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.165000Z",
"spacegroup": 51
},
{
"id": "mp-644693",
"created_at": "2022-09-04T14:42:44.944253Z",
"structure_string": "Si8\n1.0\n4.251195 3.402014 0.334893\n-3.049673 1.285385 2.201116\n0.268226 -5.755341 7.101364\nSi\n8\ndirect\n0.827655 0.094740 0.082333 Si\n0.211002 0.000724 0.059711 Si\n0.003634 0.566595 0.240718 Si\n0.361705 0.125707 0.628459 Si\n0.069501 0.841008 0.801645 Si\n0.842253 0.286715 0.682330 Si\n0.132669 0.567874 0.511322 Si\n0.566418 0.509253 0.000092 Si\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.142906980650944,
"density_atomic": 0.04594857658765638,
"volume": 174.10767849877462,
"volume_molar": 13.10626184145558,
"formula_full": "Si8",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -40.08159,
"energy_per_atom": -5.01019875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.08159,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010976,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.529000Z",
"spacegroup": 1
},
{
"id": "mp-982370",
"created_at": "2022-09-04T14:42:51.246465Z",
"structure_string": "Na4\n1.0\n1.864946 -3.230182 0.000000\n1.864946 3.230182 0.000000\n0.000000 0.000000 11.964779\nNa\n4\ndirect\n0.000000 0.000000 0.000000 Na\n0.333333 0.666667 0.250000 Na\n0.000000 0.000000 0.500000 Na\n0.666667 0.333333 0.750000 Na\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 1.0592921911493403,
"density_atomic": 0.027748023938736415,
"volume": 144.1544092952859,
"volume_molar": 21.702953598771604,
"formula_full": "Na4",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -5.24271159,
"energy_per_atom": -1.3106778975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.24271159,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001589,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.136000Z",
"spacegroup": 194
},
{
"id": "mp-1245129",
"created_at": "2022-09-04T14:42:49.481811Z",
"structure_string": "Al100\n1.0\n12.143808 -0.336115 -0.692278\n-0.340213 12.366915 -0.400231\n-0.685197 -0.395109 11.758627\nAl\n100\ndirect\n0.031894 0.806895 0.228958 Al\n0.302257 0.212581 0.283920 Al\n0.828095 0.432837 0.561812 Al\n0.597517 0.717728 0.753559 Al\n0.909163 0.180335 0.826267 Al\n0.743097 0.475820 0.995316 Al\n0.918954 0.434125 0.176960 Al\n0.270717 0.231379 0.638931 Al\n0.899011 0.638210 0.085808 Al\n0.151709 0.160946 0.094562 Al\n0.382881 0.251712 0.862918 Al\n0.630820 0.626511 0.318601 Al\n0.878385 0.847380 0.693719 Al\n0.046619 0.469487 0.424672 Al\n0.144000 0.936587 0.092482 Al\n0.838269 0.279332 0.014432 Al\n0.087560 0.590469 0.227051 Al\n0.304473 0.331961 0.061547 Al\n0.737916 0.097595 0.332369 Al\n0.143526 0.374458 0.218216 Al\n0.800484 0.766505 0.462173 Al\n0.498896 0.072304 0.905420 Al\n0.242868 0.842807 0.895946 Al\n0.319695 0.419333 0.396377 Al\n0.861582 0.320707 0.363208 Al\n0.836052 0.386634 0.791953 Al\n0.754245 0.904803 0.069830 Al\n0.135540 0.055663 0.301835 Al\n0.807721 0.203968 0.571774 Al\n0.209676 0.385498 0.824100 Al\n0.242611 0.625654 0.417215 Al\n0.374500 0.916676 0.123126 Al\n0.644776 0.282120 0.396477 Al\n0.039078 0.728472 0.802898 Al\n0.385815 0.726788 0.792915 Al\n0.560206 0.775663 0.155046 Al\n0.436701 0.168329 0.105654 Al\n0.642123 0.271591 0.855127 Al\n0.999005 0.525251 0.923579 Al\n0.970610 0.210301 0.210314 Al\n0.146520 0.062082 0.541851 Al\n0.477613 0.363854 0.250688 Al\n0.513302 0.932234 0.720289 Al\n0.115084 0.714673 0.031893 Al\n0.348893 0.814129 0.581565 Al\n0.923821 0.825325 0.964590 Al\n0.265282 0.754671 0.229774 Al\n0.547161 0.469245 0.471224 Al\n0.798790 0.760951 0.232224 Al\n0.031794 0.485177 0.700711 Al\n0.955157 0.127752 0.428421 Al\n0.445994 0.258217 0.483695 Al\n0.167395 0.657157 0.625828 Al\n0.376428 0.559726 0.232656 Al\n0.609689 0.829921 0.553422 Al\n0.693188 0.616817 0.583700 Al\n0.538539 0.352214 0.027741 Al\n0.436253 0.386249 0.687232 Al\n0.201387 0.870858 0.413966 Al\n0.351852 0.053406 0.484245 Al\n0.908149 0.984927 0.238342 Al\n0.675113 0.221424 0.156813 Al\n0.415921 0.506366 0.889877 Al\n0.705795 0.082238 0.727258 Al\n0.550365 0.561959 0.092359 Al\n0.302988 0.016475 0.728703 Al\n0.431220 0.883431 0.365266 Al\n0.528082 0.855420 0.943238 Al\n0.125267 0.868880 0.649785 Al\n0.058039 0.967494 0.859789 Al\n0.142807 0.173318 0.820649 Al\n0.057212 0.322382 0.977896 Al\n0.641396 0.325031 0.633372 Al\n0.730508 0.894046 0.836839 Al\n0.689801 0.695397 0.982792 Al\n0.586801 0.010302 0.130953 Al\n0.586443 0.058644 0.515770 Al\n0.821523 0.636550 0.812575 Al\n0.401913 0.585691 0.615096 Al\n0.205475 0.515355 0.053803 Al\n0.138732 0.266747 0.425848 Al\n0.363922 0.691174 0.034373 Al\n0.487863 0.157582 0.688029 Al\n0.212531 0.604013 0.848082 Al\n0.921544 0.642827 0.603869 Al\n0.788642 0.979315 0.527007 Al\n0.973685 0.050246 0.660796 Al\n0.280386 0.055617 0.957273 Al\n0.842507 0.558074 0.371036 Al\n0.464689 0.679806 0.430882 Al\n0.030711 0.698302 0.426742 Al\n0.938743 0.057164 0.025244 Al\n0.031963 0.271593 0.631076 Al\n0.652379 0.895080 0.337368 Al\n0.721089 0.091358 0.963816 Al\n0.693449 0.435062 0.223706 Al\n0.622766 0.503051 0.786200 Al\n0.981313 0.907980 0.448394 Al\n0.218130 0.440401 0.594211 Al\n0.487635 0.093971 0.309621 Al\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Al"
],
"chemical_system": "Al",
"density": 2.550587194020896,
"density_atomic": 0.056927795468103344,
"volume": 1756.6111453592125,
"volume_molar": 10.578559577938,
"formula_full": "Al100",
"formula_reduced": "Al",
"formula_anonymous": "A",
"energy": -365.08254192,
"energy_per_atom": -3.6508254192,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -365.08254192,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.837000Z",
"spacegroup": 1
},
{
"id": "mp-1055423",
"created_at": "2022-09-04T14:42:49.865549Z",
"structure_string": "Pu4\n1.0\n-0.018661 0.198357 3.522173\n4.535293 -0.273562 -0.014382\n1.969982 4.375312 0.246116\nPu\n4\ndirect\n0.857106 0.340361 0.247748 Pu\n0.581779 0.841192 0.251814 Pu\n0.418545 0.158791 0.748301 Pu\n0.142573 0.659657 0.752137 Pu\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Pu"
],
"chemical_system": "Pu",
"density": 22.647044571012607,
"density_atomic": 0.05589495502121435,
"volume": 71.56280917449243,
"volume_molar": 10.774032750745322,
"formula_full": "Pu4",
"formula_reduced": "Pu",
"formula_anonymous": "A",
"energy": -56.71455862,
"energy_per_atom": -14.178639655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.71455862,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014306,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.550000Z",
"spacegroup": 2
},
{
"id": "mp-160",
"created_at": "2022-09-04T14:42:45.224810Z",
"structure_string": "B12\n1.0\n4.416315 -2.449989 0.000000\n4.416315 2.449989 0.000000\n3.057163 0.000000 4.019955\nB\n12\ndirect\n0.654034 0.010308 0.010308 B\n0.010308 0.010308 0.654034 B\n0.010308 0.654034 0.010308 B\n0.989692 0.345966 0.989692 B\n0.345966 0.989692 0.989692 B\n0.989692 0.989692 0.345966 B\n0.630458 0.221130 0.221130 B\n0.221130 0.221130 0.630458 B\n0.221130 0.630458 0.221130 B\n0.778870 0.369542 0.778870 B\n0.369542 0.778870 0.778870 B\n0.778870 0.778870 0.369542 B\n",
"nsites": 12,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.476400292715375,
"density_atomic": 0.13794497406336956,
"volume": 86.99120849801606,
"volume_molar": 4.365610853813008,
"formula_full": "B12",
"formula_reduced": "B",
"formula_anonymous": "A",
"energy": -80.15270125,
"energy_per_atom": -6.679391770833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.15270125,
"band_gap": 1.4333999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002856,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:59.369000Z",
"spacegroup": 166
},
{
"id": "mp-1180050",
"created_at": "2022-09-04T14:42:15.429650Z",
"structure_string": "O8\n1.0\n4.230595 3.406919 0.000000\n-4.230595 3.406919 0.000000\n0.000000 1.349883 3.127495\nO\n8\ndirect\n0.774957 0.113939 0.647086 O\n0.886061 0.225043 0.852914 O\n0.225043 0.886061 0.352914 O\n0.113939 0.774957 0.147086 O\n0.717711 0.753319 0.827685 O\n0.246681 0.282289 0.672315 O\n0.282289 0.246681 0.172315 O\n0.753319 0.717711 0.327685 O\n",
"nsites": 8,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 2.3575065117612257,
"density_atomic": 0.08873605298541794,
"volume": 90.15501288202042,
"volume_molar": 6.786577222439253,
"formula_full": "O8",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -33.4314924,
"energy_per_atom": -4.17893655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.4314924,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.64e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:42.829000Z",
"spacegroup": 15
},
{
"id": "mp-1180307",
"created_at": "2022-09-04T14:42:09.145548Z",
"structure_string": "Mo16\n1.0\n9.089799 0.000000 3.671004\n0.000000 3.062986 0.000000\n0.312782 0.000000 9.643231\nMo\n16\ndirect\n0.576317 0.248353 0.053850 Mo\n0.923683 0.248353 0.946150 Mo\n0.423683 0.751647 0.946150 Mo\n0.076317 0.751647 0.053850 Mo\n0.729302 0.743393 0.175080 Mo\n0.770698 0.743393 0.824920 Mo\n0.270698 0.256607 0.824920 Mo\n0.229302 0.256607 0.175080 Mo\n0.907792 0.244365 0.303054 Mo\n0.592208 0.244365 0.696946 Mo\n0.092208 0.755635 0.696946 Mo\n0.407792 0.755635 0.303054 Mo\n0.126177 0.254331 0.456990 Mo\n0.373823 0.254331 0.543010 Mo\n0.873823 0.745670 0.543010 Mo\n0.626177 0.745670 0.456990 Mo\n",
"nsites": 16,
"nelements": 1,
"elements": [
"Mo"
],
"chemical_system": "Mo",
"density": 9.61996512242326,
"density_atomic": 0.06038439034140488,
"volume": 264.9691403612464,
"volume_molar": 9.973009126947645,
"formula_full": "Mo16",
"formula_reduced": "Mo",
"formula_anonymous": "A",
"energy": -167.14727721,
"energy_per_atom": -10.446704825625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -167.14727721,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.06e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.224000Z",
"spacegroup": 12
},
{
"id": "mp-1179605",
"created_at": "2022-09-04T14:42:09.296904Z",
"structure_string": "Sb2\n1.0\n4.347518 0.000000 0.000000\n0.000000 3.122402 0.000000\n0.000000 0.038915 4.405852\nSb\n2\ndirect\n0.750000 0.011389 0.758834 Sb\n0.250000 0.988611 0.241166 Sb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 6.761197511367673,
"density_atomic": 0.03344027852635407,
"volume": 59.808114290190886,
"volume_molar": 18.00864414228485,
"formula_full": "Sb2",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -8.15703779,
"energy_per_atom": -4.078518895,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.15703779,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002955,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.968000Z",
"spacegroup": 11
},
{
"id": "mp-73",
"created_at": "2022-09-04T14:42:12.963031Z",
"structure_string": "Ti1\n1.0\n-1.625750 1.625750 1.625750\n1.625750 -1.625750 1.625750\n1.625750 1.625750 -1.625750\nTi\n1\ndirect\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.624491948033271,
"density_atomic": 0.058180670324371915,
"volume": 17.1878390954375,
"volume_molar": 10.350758639295572,
"formula_full": "Ti1",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"energy": -7.78345591,
"energy_per_atom": -7.78345591,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.78345591,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0075046,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:41.302000Z",
"spacegroup": 229
}
]
}