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=11475",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=11473",
"results": [
{
"id": "mp-1180226",
"created_at": "2022-09-04T14:41:23.623035Z",
"structure_string": "Na4 O4\n1.0\n3.006547 0.000000 0.000000\n0.000000 5.525968 0.000000\n0.000000 0.000000 6.370084\nNa O\n4 4\ndirect\n0.819474 0.750000 0.500000 Na\n0.180526 0.250000 0.000000 Na\n0.180526 0.250000 0.500000 Na\n0.819474 0.750000 0.000000 Na\n0.328807 0.933487 0.750000 O\n0.671193 0.066513 0.250000 O\n0.328807 0.566513 0.250000 O\n0.671193 0.433487 0.750000 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Na",
"O"
],
"chemical_system": "Na-O",
"density": 2.446986360118066,
"density_atomic": 0.07559071698961585,
"volume": 105.83310118753056,
"volume_molar": 7.966772905232903,
"formula_full": "Na4 O4",
"formula_reduced": "NaO",
"formula_anonymous": "AB",
"energy": -33.30944607,
"energy_per_atom": -4.16368075875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.56144607,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0010111,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:17.842000Z",
"spacegroup": 57
},
{
"id": "mp-2028",
"created_at": "2022-09-04T14:41:15.543946Z",
"structure_string": "Be4 Nb2\n1.0\n0.000000 3.269820 3.269820\n3.269820 0.000000 3.269820\n3.269820 3.269820 0.000000\nBe Nb\n4 2\ndirect\n0.125000 0.125000 0.125000 Be\n0.625000 0.125000 0.125000 Be\n0.125000 0.625000 0.125000 Be\n0.125000 0.125000 0.625000 Be\n0.500000 0.500000 0.500000 Nb\n0.750000 0.750000 0.750000 Nb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Be",
"Nb"
],
"chemical_system": "Be-Nb",
"density": 5.269015614354269,
"density_atomic": 0.08581233451542908,
"volume": 69.92001830367636,
"volume_molar": 7.017803202775258,
"formula_full": "Be4 Nb2",
"formula_reduced": "Be2Nb",
"formula_anonymous": "AB2",
"energy": -36.30014894,
"energy_per_atom": -6.050024823333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.30014894,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.007452,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:16.736000Z",
"spacegroup": 227
},
{
"id": "mp-684697",
"created_at": "2022-09-04T14:41:14.155587Z",
"structure_string": "Sc20 O19\n1.0\n-5.010140 5.010140 4.479001\n5.010140 -5.010140 4.479001\n5.010140 5.010140 -4.479001\nSc O\n20 19\ndirect\n0.045558 0.648974 0.196283 Sc\n0.399322 0.700072 0.099395 Sc\n0.101002 0.800985 0.901987 Sc\n0.749628 0.749628 0.000000 Sc\n0.800985 0.898998 0.699983 Sc\n0.452692 0.849275 0.803717 Sc\n0.500000 0.000000 0.500000 Sc\n0.150725 0.954442 0.603416 Sc\n0.199015 0.101002 0.300017 Sc\n0.849275 0.045558 0.396584 Sc\n0.898998 0.199015 0.098013 Sc\n0.547308 0.150725 0.196283 Sc\n0.600678 0.299928 0.900605 Sc\n0.250372 0.250372 0.000000 Sc\n0.299928 0.399322 0.699250 Sc\n0.954442 0.351026 0.803717 Sc\n0.000000 0.500000 0.500000 Sc\n0.648974 0.452692 0.603416 Sc\n0.700072 0.600678 0.300750 Sc\n0.351026 0.547308 0.396584 Sc\n0.900908 0.700967 0.601875 O\n0.549066 0.652330 0.698605 O\n0.599130 0.803431 0.402561 O\n0.250000 0.750000 0.500000 O\n0.299033 0.900908 0.199941 O\n0.953725 0.850461 0.301395 O\n0.000000 0.000000 0.000000 O\n0.652330 0.953725 0.103264 O\n0.700967 0.099092 0.800059 O\n0.347670 0.046275 0.896736 O\n0.046275 0.149539 0.698605 O\n0.750000 0.250000 0.500000 O\n0.400870 0.196569 0.597439 O\n0.450934 0.347670 0.301395 O\n0.099092 0.299033 0.398125 O\n0.149539 0.450934 0.103264 O\n0.196569 0.599130 0.795699 O\n0.803431 0.400870 0.204301 O\n0.850461 0.549066 0.896736 O\n",
"nsites": 39,
"nelements": 2,
"elements": [
"Sc",
"O"
],
"chemical_system": "O-Sc",
"density": 4.442346388167345,
"density_atomic": 0.0867208913279215,
"volume": 449.7186249219648,
"volume_molar": 6.944279132496708,
"formula_full": "Sc20 O19",
"formula_reduced": "Sc20O19",
"formula_anonymous": "A19B20",
"energy": -343.98406608000005,
"energy_per_atom": -8.820104258461539,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -330.93106608000005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0054422,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.435000Z",
"spacegroup": 87
},
{
"id": "mp-716723",
"created_at": "2022-09-04T14:41:23.770726Z",
"structure_string": "V18 O34\n1.0\n5.530737 -0.013410 0.255265\n2.200214 6.723265 0.794318\n-0.737420 0.144966 14.751596\nV O\n18 34\ndirect\n0.327825 0.914132 0.732531 V\n0.669748 0.081790 0.272814 V\n0.742922 0.119209 0.840736 V\n0.249878 0.896155 0.158636 V\n0.328373 0.416830 0.728764 V\n0.673110 0.585139 0.275626 V\n0.915007 0.201504 0.614018 V\n0.088328 0.795875 0.384648 V\n0.241987 0.405412 0.160717 V\n0.744820 0.616583 0.836394 V\n0.797458 0.694917 0.039231 V\n0.187768 0.318047 0.957013 V\n0.921393 0.701110 0.609004 V\n0.090154 0.291202 0.386848 V\n0.803554 0.193928 0.044016 V\n0.189375 0.813271 0.958526 V\n0.496766 0.996358 0.499718 V\n0.506894 0.496012 0.500775 V\n0.147236 0.195156 0.094668 O\n0.842827 0.814326 0.906525 O\n0.957677 0.069496 0.749252 O\n0.023237 0.929046 0.259041 O\n0.198957 0.004932 0.417026 O\n0.801824 0.976358 0.583642 O\n0.195774 0.539907 0.020947 O\n0.792466 0.461111 0.978086 O\n0.730575 0.954565 0.394085 O\n0.254785 0.049937 0.604588 O\n0.566274 0.356360 0.625691 O\n0.451565 0.627611 0.370086 O\n0.796421 0.298258 0.305571 O\n0.221813 0.685116 0.693327 O\n0.627752 0.400445 0.805622 O\n0.375355 0.592328 0.192362 O\n0.148828 0.664420 0.507927 O\n0.861757 0.323305 0.489965 O\n0.471719 0.814578 0.045817 O\n0.542798 0.186960 0.955163 O\n0.037030 0.116178 0.931136 O\n0.960675 0.896395 0.070469 O\n0.437840 0.134852 0.772314 O\n0.559521 0.878379 0.230370 O\n0.396816 0.768939 0.858356 O\n0.615058 0.226171 0.139842 O\n0.029545 0.425736 0.651584 O\n0.970559 0.579193 0.346810 O\n0.370156 0.296759 0.459111 O\n0.622968 0.699936 0.536171 O\n0.308235 0.252259 0.276571 O\n0.707640 0.738735 0.724708 O\n0.111901 0.453832 0.841015 O\n0.887058 0.550943 0.162140 O\n",
"nsites": 52,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 4.41329694917235,
"density_atomic": 0.09459953453818365,
"volume": 549.6855798905755,
"volume_molar": 6.365930645852444,
"formula_full": "V18 O34",
"formula_reduced": "V9O17",
"formula_anonymous": "A9B17",
"energy": -460.20257448,
"energy_per_atom": -8.85004950923077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -406.24457448,
"band_gap": 0.5838999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 22.006379,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.011000Z",
"spacegroup": 1
},
{
"id": "mp-624400",
"created_at": "2022-09-04T14:41:15.522668Z",
"structure_string": "Cd10 I20\n1.0\n2.172045 -3.762092 0.000000\n2.172045 3.762092 0.000000\n0.000000 0.000000 73.648446\nCd I\n10 20\ndirect\n0.000000 0.000000 0.524999 Cd\n0.000000 0.000000 0.224996 Cd\n0.000000 0.000000 0.724996 Cd\n0.333333 0.666667 0.825003 Cd\n0.000000 0.000000 0.425008 Cd\n0.333333 0.666667 0.924988 Cd\n0.000000 0.000000 0.025000 Cd\n0.333333 0.666667 0.324998 Cd\n0.333333 0.666667 0.124988 Cd\n0.333333 0.666667 0.624987 Cd\n0.333333 0.666667 0.201499 I\n0.666667 0.333333 0.448525 I\n0.666667 0.333333 0.948502 I\n0.000000 0.000000 0.101481 I\n0.000000 0.000000 0.901470 I\n0.666667 0.333333 0.348518 I\n0.333333 0.666667 0.401500 I\n0.666667 0.333333 0.048518 I\n0.000000 0.000000 0.301486 I\n0.666667 0.333333 0.548518 I\n0.000000 0.000000 0.601479 I\n0.666667 0.333333 0.148504 I\n0.666667 0.333333 0.248516 I\n0.333333 0.666667 0.001496 I\n0.333333 0.666667 0.701499 I\n0.666667 0.333333 0.848521 I\n0.666667 0.333333 0.648504 I\n0.000000 0.000000 0.801487 I\n0.666667 0.333333 0.748516 I\n0.333333 0.666667 0.501496 I\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.052417968014197,
"density_atomic": 0.024924671381014403,
"volume": 1203.6267014878908,
"volume_molar": 24.161364729515267,
"formula_full": "Cd10 I20",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy": -64.82961573,
"energy_per_atom": -2.160987191,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.24961573,
"band_gap": 2.3804,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.5e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.126000Z",
"spacegroup": 156
},
{
"id": "mp-971832",
"created_at": "2022-09-04T14:41:23.570753Z",
"structure_string": "Zn1 In3\n1.0\n-2.261113 2.261113 4.834206\n2.261113 -2.261113 4.834206\n2.261113 2.261113 -4.834206\nZn In\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500000 In\n0.250000 0.750000 0.500000 In\n0.500000 0.500000 0.000000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"In"
],
"chemical_system": "In-Zn",
"density": 6.884273786016664,
"density_atomic": 0.04046041314692713,
"volume": 98.86206513696438,
"volume_molar": 14.884031801977205,
"formula_full": "Zn1 In3",
"formula_reduced": "ZnIn3",
"formula_anonymous": "AB3",
"energy": -9.14863227,
"energy_per_atom": -2.2871580675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.14863227,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008842,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.380000Z",
"spacegroup": 139
},
{
"id": "mp-570777",
"created_at": "2022-09-04T14:41:24.101464Z",
"structure_string": "Sr10 Si10\n1.0\n-2.409463 6.483237 9.007551\n2.409463 -6.483237 9.007551\n2.409463 6.483237 -9.007551\nSr Si\n10 10\ndirect\n0.645961 0.811702 0.834258 Sr\n0.022556 0.188298 0.834258 Sr\n0.354039 0.188298 0.165742 Sr\n0.708650 0.000000 0.708650 Sr\n0.977444 0.811702 0.165742 Sr\n0.000000 0.000000 0.000000 Sr\n0.331047 0.831047 0.500000 Sr\n0.291350 0.000000 0.291350 Sr\n0.500000 0.500000 0.000000 Sr\n0.668953 0.168953 0.500000 Sr\n0.551026 0.371099 0.179926 Si\n0.223015 0.568073 0.654941 Si\n0.913132 0.568073 0.345059 Si\n0.141991 0.641991 0.500000 Si\n0.808827 0.628901 0.179926 Si\n0.086868 0.431927 0.654941 Si\n0.191173 0.371099 0.820074 Si\n0.448974 0.628901 0.820074 Si\n0.858009 0.358009 0.500000 Si\n0.776985 0.431927 0.345059 Si\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sr",
"Si"
],
"chemical_system": "Si-Sr",
"density": 3.4136911034035418,
"density_atomic": 0.035534574143770446,
"volume": 562.832128480881,
"volume_molar": 16.94727150981135,
"formula_full": "Sr10 Si10",
"formula_reduced": "SrSi",
"formula_anonymous": "AB",
"energy": -78.77608736,
"energy_per_atom": -3.9388043680000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.48608736,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.2370997,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:16.462000Z",
"spacegroup": 71
},
{
"id": "mp-2501",
"created_at": "2022-09-04T14:41:20.662359Z",
"structure_string": "B2 Mo4\n1.0\n-2.780403 2.780403 2.390440\n2.780403 -2.780403 2.390440\n2.780403 2.780403 -2.390440\nB Mo\n2 4\ndirect\n0.750000 0.750000 0.000000 B\n0.250000 0.250000 0.000000 B\n0.668753 0.168753 0.837506 Mo\n0.331247 0.831247 0.162494 Mo\n0.831247 0.668753 0.500000 Mo\n0.168753 0.331247 0.500000 Mo\n",
"nsites": 6,
"nelements": 2,
"elements": [
"B",
"Mo"
],
"chemical_system": "B-Mo",
"density": 9.106683076768183,
"density_atomic": 0.08117044273888827,
"volume": 73.91853238131269,
"volume_molar": 7.4191301128813825,
"formula_full": "B2 Mo4",
"formula_reduced": "BMo2",
"formula_anonymous": "AB2",
"energy": -58.640377580000006,
"energy_per_atom": -9.773396263333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.640377580000006,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001098,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:16.532000Z",
"spacegroup": 140
},
{
"id": "mp-1192350",
"created_at": "2022-09-04T14:41:16.134714Z",
"structure_string": "Nb8 Fe16\n1.0\n2.391330 -4.141905 0.000000\n2.391330 4.141905 0.000000\n0.000000 0.000000 15.585859\nNb Fe\n8 16\ndirect\n0.000000 0.000000 0.407497 Nb\n0.000000 0.000000 0.592503 Nb\n0.000000 0.000000 0.907497 Nb\n0.000000 0.000000 0.092503 Nb\n0.333333 0.666667 0.655925 Nb\n0.666667 0.333333 0.344075 Nb\n0.666667 0.333333 0.155925 Nb\n0.333333 0.666667 0.844075 Nb\n0.333333 0.666667 0.373484 Fe\n0.666667 0.333333 0.626516 Fe\n0.666667 0.333333 0.873484 Fe\n0.333333 0.666667 0.126516 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.162344 0.837656 0.250000 Fe\n0.162344 0.324688 0.250000 Fe\n0.675312 0.837656 0.250000 Fe\n0.837656 0.162344 0.750000 Fe\n0.837656 0.675312 0.750000 Fe\n0.324688 0.162344 0.750000 Fe\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Nb",
"Fe"
],
"chemical_system": "Fe-Nb",
"density": 8.803120472177783,
"density_atomic": 0.0777339715820182,
"volume": 308.74532088814306,
"volume_molar": 7.747115755749024,
"formula_full": "Nb8 Fe16",
"formula_reduced": "NbFe2",
"formula_anonymous": "AB2",
"energy": -219.4349959,
"energy_per_atom": -9.143124829166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -219.4349959,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.5935191,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.721000Z",
"spacegroup": 194
},
{
"id": "mp-1103459",
"created_at": "2022-09-04T14:41:24.118975Z",
"structure_string": "Np4 Re8\n1.0\n-2.553378 -4.495266 0.000000\n-2.553378 4.495266 0.000000\n0.000000 0.000000 -9.400734\nNp Re\n4 8\ndirect\n0.669020 0.330980 0.552647 Np\n0.330980 0.669020 0.447353 Np\n0.330980 0.669020 0.052647 Np\n0.669020 0.330980 0.947353 Np\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.169851 0.336986 0.750000 Re\n0.169067 0.830933 0.750000 Re\n0.663014 0.830149 0.750000 Re\n0.830149 0.663014 0.250000 Re\n0.830933 0.169067 0.250000 Re\n0.336986 0.169851 0.250000 Re\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Np",
"Re"
],
"chemical_system": "Np-Re",
"density": 18.756821621404512,
"density_atomic": 0.05560565726419708,
"volume": 215.80538007103934,
"volume_molar": 10.83008646294248,
"formula_full": "Np4 Re8",
"formula_reduced": "NpRe2",
"formula_anonymous": "AB2",
"energy": -147.9294246,
"energy_per_atom": -12.32745205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -147.9294246,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4583438,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:19.098000Z",
"spacegroup": 194
},
{
"id": "mp-1187112",
"created_at": "2022-09-04T14:41:20.489052Z",
"structure_string": "Sr6 Dy2\n1.0\n4.047789 -7.010977 0.000000\n4.047789 7.010977 0.000000\n0.000000 0.000000 6.553654\nSr Dy\n6 2\ndirect\n0.171750 0.343500 0.250000 Sr\n0.656500 0.828250 0.250000 Sr\n0.171750 0.828250 0.250000 Sr\n0.828250 0.656500 0.750000 Sr\n0.343500 0.171750 0.750000 Sr\n0.828250 0.171750 0.750000 Sr\n0.333333 0.666667 0.750000 Dy\n0.666667 0.333333 0.250000 Dy\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"Dy"
],
"chemical_system": "Dy-Sr",
"density": 3.7977452345185734,
"density_atomic": 0.02150701183072563,
"volume": 371.97171150345184,
"volume_molar": 28.00082506764873,
"formula_full": "Sr6 Dy2",
"formula_reduced": "Sr3Dy",
"formula_anonymous": "AB3",
"energy": -17.63309736,
"energy_per_atom": -2.20413717,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.63309736,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1206752,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.903000Z",
"spacegroup": 194
},
{
"id": "mp-1079254",
"created_at": "2022-09-04T14:41:14.269890Z",
"structure_string": "Co6 As3\n1.0\n2.993547 -5.184976 0.000000\n2.993547 5.184976 0.000000\n0.000000 0.000000 3.539202\nCo As\n6 3\ndirect\n0.744188 0.744188 0.000000 Co\n0.255812 0.000000 0.000000 Co\n0.000000 0.255812 0.000000 Co\n0.402299 0.402299 0.500000 Co\n0.597701 0.000000 0.500000 Co\n0.000000 0.597701 0.500000 Co\n0.666667 0.333333 0.000000 As\n0.333333 0.666667 0.000000 As\n0.000000 0.000000 0.500000 As\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Co",
"As"
],
"chemical_system": "As-Co",
"density": 8.741423266064404,
"density_atomic": 0.08191705515862906,
"volume": 109.86723073201136,
"volume_molar": 7.35151031532856,
"formula_full": "Co6 As3",
"formula_reduced": "Co2As",
"formula_anonymous": "AB2",
"energy": -57.7884433,
"energy_per_atom": -6.420938144444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.7884433,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.2434562,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:28.479000Z",
"spacegroup": 189
}
]
}