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=62",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=60",
"results": [
{
"id": "mp-10649",
"created_at": "2022-09-04T14:47:55.765775Z",
"structure_string": "Si2\n1.0\n1.319711 -2.285806 0.000000\n1.319711 2.285806 0.000000\n0.000000 0.000000 4.764104\nSi\n2\ndirect\n0.333333 0.666667 0.250000 Si\n0.666667 0.333333 0.750000 Si\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 3.245127904432418,
"density_atomic": 0.06958258543180416,
"volume": 28.742823906135836,
"volume_molar": 8.654666570132152,
"formula_full": "Si2",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -9.82473078,
"energy_per_atom": -4.91236539,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.82473078,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003725,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:19.532000Z",
"spacegroup": 194
},
{
"id": "mp-570602",
"created_at": "2022-09-04T14:47:12.937481Z",
"structure_string": "B50\n1.0\n8.619604 0.000000 0.000000\n0.000000 8.619604 0.000000\n0.000000 0.000000 5.063369\nB\n50\ndirect\n0.128895 0.128895 0.115830 B\n0.917864 0.328914 0.903572 B\n0.727368 0.581257 0.093048 B\n0.418743 0.272632 0.093048 B\n0.918743 0.227368 0.593048 B\n0.254174 0.254174 0.584292 B\n0.772632 0.081257 0.593048 B\n0.227368 0.081257 0.406952 B\n0.628895 0.371105 0.615830 B\n0.000000 0.000000 0.500000 B\n0.328914 0.082136 0.096428 B\n0.917864 0.671086 0.096428 B\n0.272632 0.418743 0.093048 B\n0.871105 0.871105 0.115830 B\n0.871105 0.128895 0.884170 B\n0.328914 0.917864 0.903572 B\n0.171086 0.417864 0.403572 B\n0.745826 0.254174 0.415708 B\n0.582136 0.828914 0.403572 B\n0.082136 0.328914 0.096428 B\n0.245826 0.245826 0.915708 B\n0.082136 0.671086 0.903572 B\n0.245826 0.754174 0.084292 B\n0.254174 0.745826 0.415708 B\n0.754174 0.245826 0.084292 B\n0.227368 0.918743 0.593048 B\n0.371105 0.628895 0.615830 B\n0.745826 0.745826 0.584292 B\n0.918743 0.772632 0.406952 B\n0.128895 0.871105 0.884170 B\n0.171086 0.582136 0.596428 B\n0.418743 0.727368 0.906952 B\n0.581257 0.727368 0.093048 B\n0.581257 0.272632 0.906952 B\n0.772632 0.918743 0.406952 B\n0.828914 0.417864 0.596428 B\n0.727368 0.418743 0.906952 B\n0.417864 0.828914 0.596428 B\n0.828914 0.582136 0.403572 B\n0.628895 0.628895 0.384170 B\n0.671086 0.917864 0.096428 B\n0.272632 0.581257 0.906952 B\n0.081257 0.227368 0.406952 B\n0.417864 0.171086 0.403572 B\n0.500000 0.500000 0.000000 B\n0.582136 0.171086 0.596428 B\n0.754174 0.754174 0.915708 B\n0.371105 0.371105 0.384170 B\n0.671086 0.082136 0.903572 B\n0.081257 0.772632 0.593048 B\n",
"nsites": 50,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.386001776897418,
"density_atomic": 0.13290943075619213,
"volume": 376.1960284949196,
"volume_molar": 4.531010873898753,
"formula_full": "B50",
"formula_reduced": "B",
"formula_anonymous": "A",
"energy": -322.79616126,
"energy_per_atom": -6.4559232252,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -322.79616126,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.8533933,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:59.153000Z",
"spacegroup": 134
},
{
"id": "mp-1977763",
"created_at": "2022-09-04T14:43:22.206173Z",
"structure_string": "Ba1\n1.0\n-3.605539 0.000000 0.000000\n0.000000 0.000000 -3.996080\n0.000000 -4.003220 0.000000\nBa\n1\ndirect\n0.500000 0.500000 0.500000 Ba\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.953586096865328,
"density_atomic": 0.01733748788681752,
"volume": 57.678482980244524,
"volume_molar": 34.73479433302968,
"formula_full": "Ba1",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy": -1.5597617,
"energy_per_atom": -1.5597617,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.5597617,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017834,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:15.445000Z",
"spacegroup": 123
},
{
"id": "mp-6986",
"created_at": "2022-09-04T14:39:21.047726Z",
"structure_string": "Ta1\n1.0\n0.000000 2.113434 2.113434\n2.113434 0.000000 2.113434\n2.113434 2.113434 0.000000\nTa\n1\ndirect\n0.000000 0.000000 0.000000 Ta\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ta"
],
"chemical_system": "Ta",
"density": 15.914995911810305,
"density_atomic": 0.05296682426390808,
"volume": 18.879742440616855,
"volume_molar": 11.369646648994065,
"formula_full": "Ta1",
"formula_reduced": "Ta",
"formula_anonymous": "A",
"energy": -11.6128968,
"energy_per_atom": -11.6128968,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.6128968,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004769,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.030000Z",
"spacegroup": 225
},
{
"id": "mp-611219",
"created_at": "2022-09-04T14:44:50.318943Z",
"structure_string": "Hg1\n1.0\n7.830023 -1.770053 0.000000\n7.830023 1.770053 0.000000\n7.429885 0.000000 3.039598\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 3.9533286686092426,
"density_atomic": 0.011868738083222304,
"volume": 84.25495558062774,
"volume_molar": 50.739520223408775,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.21932567,
"energy_per_atom": -0.21932567,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.21932567,
"band_gap": 1.7611,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0059825,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.093000Z",
"spacegroup": 166
},
{
"id": "mp-1197020",
"created_at": "2022-09-04T14:43:34.611442Z",
"structure_string": "Ge34\n1.0\n0.000000 7.809953 7.809953\n7.809953 0.000000 7.809953\n7.809953 7.809953 0.000000\nGe\n34\ndirect\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Ge\n0.353724 0.353724 0.938828 Ge\n0.353724 0.938828 0.353724 Ge\n0.938828 0.353724 0.353724 Ge\n0.353724 0.353724 0.353724 Ge\n0.896276 0.896276 0.311172 Ge\n0.896276 0.311172 0.896276 Ge\n0.311172 0.896276 0.896276 Ge\n0.896276 0.896276 0.896276 Ge\n0.995239 0.387266 0.622256 Ge\n0.995239 0.995239 0.622256 Ge\n0.387266 0.995239 0.622256 Ge\n0.995239 0.622256 0.387266 Ge\n0.387266 0.622256 0.995239 Ge\n0.995239 0.622256 0.995239 Ge\n0.622256 0.995239 0.995239 Ge\n0.622256 0.387266 0.995239 Ge\n0.622256 0.995239 0.387266 Ge\n0.387266 0.995239 0.995239 Ge\n0.995239 0.995239 0.387266 Ge\n0.995239 0.387266 0.995239 Ge\n0.254761 0.862734 0.627744 Ge\n0.254761 0.254761 0.627744 Ge\n0.862734 0.254761 0.627744 Ge\n0.254761 0.627744 0.862734 Ge\n0.862734 0.627744 0.254761 Ge\n0.254761 0.627744 0.254761 Ge\n0.627744 0.254761 0.254761 Ge\n0.627744 0.862734 0.254761 Ge\n0.627744 0.254761 0.862734 Ge\n0.862734 0.254761 0.254761 Ge\n0.254761 0.254761 0.862734 Ge\n0.254761 0.862734 0.254761 Ge\n",
"nsites": 34,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 4.304558292269342,
"density_atomic": 0.03568647570846574,
"volume": 952.7418812033135,
"volume_molar": 16.875134460451626,
"formula_full": "Ge34",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -146.06889571,
"energy_per_atom": -4.296143991470588,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -146.06889571,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0040314,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:28.433000Z",
"spacegroup": 227
},
{
"id": "mp-1080043",
"created_at": "2022-09-04T14:48:03.619925Z",
"structure_string": "K8\n1.0\n5.431928 0.000000 0.000000\n0.000000 10.817241 0.000000\n0.000000 0.000000 10.921951\nK\n8\ndirect\n0.250000 0.029858 0.838722 K\n0.250000 0.529858 0.661278 K\n0.750000 0.970142 0.161278 K\n0.750000 0.470142 0.338722 K\n0.250000 0.153668 0.432354 K\n0.250000 0.653668 0.067646 K\n0.750000 0.846332 0.567646 K\n0.750000 0.346332 0.932354 K\n",
"nsites": 8,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8093310919806709,
"density_atomic": 0.012465774110476478,
"volume": 641.7571768187781,
"volume_molar": 48.30940065678613,
"formula_full": "K8",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -8.37420842,
"energy_per_atom": -1.0467760525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.37420842,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025668,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:26.628000Z",
"spacegroup": 62
},
{
"id": "mp-10173",
"created_at": "2022-09-04T14:48:14.019809Z",
"structure_string": "Li2\n1.0\n1.538769 -2.665227 0.000000\n1.538769 2.665227 0.000000\n0.000000 0.000000 4.922947\nLi\n2\ndirect\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.5708714829216157,
"density_atomic": 0.049529872168447765,
"volume": 40.379672154172624,
"volume_molar": 12.158603477753998,
"formula_full": "Li2",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy": -3.81279734,
"energy_per_atom": -1.90639867,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.81279734,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022141,
"is_theoretical": false,
"updated_at": "2021-11-28T01:40:10.958000Z",
"spacegroup": 194
},
{
"id": "mp-76",
"created_at": "2022-09-04T14:41:59.589468Z",
"structure_string": "Sr1\n1.0\n0.000000 3.011265 3.011265\n3.011265 0.000000 3.011265\n3.011265 3.011265 0.000000\nSr\n1\ndirect\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sr"
],
"chemical_system": "Sr",
"density": 2.664252742875994,
"density_atomic": 0.018311464327048572,
"volume": 54.61059706311206,
"volume_molar": 32.887270250170346,
"formula_full": "Sr1",
"formula_reduced": "Sr",
"formula_anonymous": "A",
"energy": -1.68309255,
"energy_per_atom": -1.68309255,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.68309255,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014988,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:36.655000Z",
"spacegroup": 225
},
{
"id": "mp-75",
"created_at": "2022-09-04T14:42:03.416655Z",
"structure_string": "Nb1\n1.0\n-1.660260 1.660260 1.660260\n1.660260 -1.660260 1.660260\n1.660260 1.660260 -1.660260\nNb\n1\ndirect\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Nb"
],
"chemical_system": "Nb",
"density": 8.427646883754438,
"density_atomic": 0.054627546382803364,
"volume": 18.305782818662305,
"volume_molar": 11.024000085597397,
"formula_full": "Nb1",
"formula_reduced": "Nb",
"formula_anonymous": "A",
"energy": -10.10130504,
"energy_per_atom": -10.10130504,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.10130504,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016972,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:33.150000Z",
"spacegroup": 229
},
{
"id": "mp-1182684",
"created_at": "2022-09-04T14:43:49.543617Z",
"structure_string": "C80\n1.0\n9.335196 0.000000 0.000000\n0.000000 10.900048 0.000000\n0.000000 0.000000 14.524954\nC\n80\ndirect\n0.165118 0.266980 0.886876 C\n0.834882 0.766980 0.613124 C\n0.334882 0.733020 0.386876 C\n0.665118 0.233020 0.113124 C\n0.156643 0.165751 0.826578 C\n0.843357 0.665751 0.673422 C\n0.343357 0.834249 0.326578 C\n0.656643 0.334249 0.173422 C\n0.120897 0.082725 0.665411 C\n0.879103 0.582725 0.834589 C\n0.379103 0.917275 0.165411 C\n0.620897 0.417275 0.334589 C\n0.097701 0.048880 0.585511 C\n0.902299 0.548880 0.914489 C\n0.402299 0.951120 0.085511 C\n0.597701 0.451120 0.414489 C\n0.052593 0.257901 0.311960 C\n0.947407 0.757901 0.188040 C\n0.447407 0.742099 0.811960 C\n0.552593 0.242099 0.688040 C\n0.041982 0.370973 0.336179 C\n0.958018 0.870973 0.163821 C\n0.458018 0.629027 0.836179 C\n0.541982 0.129027 0.663821 C\n0.047015 0.395785 0.425328 C\n0.952985 0.895785 0.074672 C\n0.452985 0.604215 0.925328 C\n0.547015 0.104215 0.574672 C\n0.040569 0.370174 0.512162 C\n0.959431 0.870174 0.987838 C\n0.459431 0.629826 0.012162 C\n0.540569 0.129826 0.487838 C\n0.110173 0.394434 0.755723 C\n0.889827 0.894434 0.744277 C\n0.389827 0.605566 0.255723 C\n0.610173 0.105566 0.244277 C\n0.137404 0.382413 0.841338 C\n0.862596 0.882413 0.658662 C\n0.362596 0.617587 0.341338 C\n0.637404 0.117587 0.158662 C\n0.127208 0.174232 0.734765 C\n0.872792 0.674232 0.765235 C\n0.372792 0.825768 0.234765 C\n0.627208 0.325768 0.265235 C\n0.042046 0.106347 0.504003 C\n0.957954 0.606347 0.995997 C\n0.457954 0.893653 0.004003 C\n0.542046 0.393653 0.495997 C\n0.055829 0.309635 0.597835 C\n0.944171 0.809635 0.902165 C\n0.444171 0.690365 0.097835 C\n0.555829 0.190365 0.402165 C\n0.095202 0.302036 0.692528 C\n0.904798 0.802036 0.807472 C\n0.404798 0.697964 0.192528 C\n0.595202 0.197964 0.307472 C\n0.245758 0.266833 0.060635 C\n0.754242 0.766833 0.439365 C\n0.254242 0.733167 0.560635 C\n0.745758 0.233167 0.939365 C\n0.292721 0.287669 0.143935 C\n0.707279 0.787669 0.356065 C\n0.207279 0.712331 0.643935 C\n0.792721 0.212331 0.856065 C\n0.203258 0.257758 0.977158 C\n0.796742 0.757758 0.522842 C\n0.296742 0.742242 0.477158 C\n0.703258 0.242242 0.022842 C\n0.023351 0.139864 0.329067 C\n0.976649 0.639864 0.170933 C\n0.476649 0.860136 0.829067 C\n0.523351 0.360136 0.670933 C\n0.039148 0.093596 0.408549 C\n0.960852 0.593596 0.091451 C\n0.460852 0.906404 0.908549 C\n0.539148 0.406404 0.591451 C\n0.025188 0.227423 0.531218 C\n0.974812 0.727423 0.968782 C\n0.474812 0.772577 0.031218 C\n0.525188 0.272577 0.468782 C\n",
"nsites": 80,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.0795450913615907,
"density_atomic": 0.05412817320550197,
"volume": 1477.9733965207647,
"volume_molar": 11.125704791729174,
"formula_full": "C80",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -615.92021779,
"energy_per_atom": -7.699002722375001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -615.92021779,
"band_gap": 0.2606999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002231,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.981000Z",
"spacegroup": 19
},
{
"id": "mp-1198022",
"created_at": "2022-09-04T14:40:06.625836Z",
"structure_string": "Ge34\n1.0\n0.000000 7.726817 7.726817\n7.726817 0.000000 7.726817\n7.726817 7.726817 0.000000\nGe\n34\ndirect\n0.500000 0.500000 0.500000 Ge\n0.750000 0.750000 0.750000 Ge\n0.473715 0.842095 0.842095 Ge\n0.842095 0.473715 0.842095 Ge\n0.842095 0.842095 0.473715 Ge\n0.842095 0.842095 0.842095 Ge\n0.776285 0.407905 0.407905 Ge\n0.407905 0.776285 0.407905 Ge\n0.407905 0.407905 0.776285 Ge\n0.407905 0.407905 0.407905 Ge\n0.389344 0.995453 0.995453 Ge\n0.995453 0.389344 0.619749 Ge\n0.995453 0.619749 0.389344 Ge\n0.619749 0.995453 0.995453 Ge\n0.995453 0.995453 0.389344 Ge\n0.389344 0.619749 0.995453 Ge\n0.619749 0.389344 0.995453 Ge\n0.995453 0.995453 0.619749 Ge\n0.995453 0.389344 0.995453 Ge\n0.619749 0.995453 0.389344 Ge\n0.389344 0.995453 0.619749 Ge\n0.995453 0.619749 0.995453 Ge\n0.860656 0.254547 0.254547 Ge\n0.254547 0.860656 0.630251 Ge\n0.254547 0.630251 0.860656 Ge\n0.630251 0.254547 0.254547 Ge\n0.254547 0.254547 0.860656 Ge\n0.860656 0.630251 0.254547 Ge\n0.630251 0.860656 0.254547 Ge\n0.254547 0.254547 0.630251 Ge\n0.254547 0.860656 0.254547 Ge\n0.630251 0.254547 0.860656 Ge\n0.860656 0.254547 0.630251 Ge\n0.254547 0.630251 0.254547 Ge\n",
"nsites": 34,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 4.445002140288905,
"density_atomic": 0.03685081026510414,
"volume": 922.6391429497627,
"volume_molar": 16.34194938096833,
"formula_full": "Ge34",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -156.33740326,
"energy_per_atom": -4.598158919411765,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -156.33740326,
"band_gap": 1.1428,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0031995,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.280000Z",
"spacegroup": 227
}
]
}