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=10202",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=10200",
"results": [
{
"id": "mp-998620",
"created_at": "2022-09-04T14:42:14.467518Z",
"structure_string": "Rb2 Sn2 F6\n1.0\n5.810500 -3.466659 0.000000\n5.810500 3.466659 0.000000\n3.742222 0.000000 5.636968\nRb Sn F\n2 2 6\ndirect\n0.125603 0.125603 0.125603 Rb\n0.874397 0.874397 0.874397 Rb\n0.356263 0.356263 0.356263 Sn\n0.643737 0.643737 0.643737 Sn\n0.047883 0.250949 0.524708 F\n0.250949 0.524708 0.047883 F\n0.524708 0.047883 0.250949 F\n0.952117 0.749051 0.475292 F\n0.475292 0.952117 0.749051 F\n0.749051 0.475292 0.952117 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Sn",
"F"
],
"chemical_system": "F-Rb-Sn",
"density": 3.819505959934459,
"density_atomic": 0.04403518297614528,
"volume": 227.09114222182737,
"volume_molar": 13.675748238090236,
"formula_full": "Rb2 Sn2 F6",
"formula_reduced": "RbSnF3",
"formula_anonymous": "ABC3",
"energy": -49.18072841,
"energy_per_atom": -4.918072841,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.40872841,
"band_gap": 4.0234000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011833,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.628000Z",
"spacegroup": 148
},
{
"id": "mp-30284",
"created_at": "2022-09-04T14:42:18.560938Z",
"structure_string": "Hg2 As2 O6\n1.0\n2.479360 -4.294377 0.000000\n2.479360 4.294377 0.000000\n0.000000 0.000000 7.776211\nHg As O\n2 2 6\ndirect\n0.000000 0.000000 0.832510 Hg\n0.000000 0.000000 0.167490 Hg\n0.333333 0.666667 0.500000 As\n0.666667 0.333333 0.500000 As\n0.380228 0.000000 0.634760 O\n0.000000 0.380228 0.634760 O\n0.619772 0.619772 0.634760 O\n0.000000 0.619772 0.365240 O\n0.380228 0.380228 0.365240 O\n0.619772 0.000000 0.365240 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Hg",
"As",
"O"
],
"chemical_system": "As-Hg-O",
"density": 6.488267456776306,
"density_atomic": 0.06038960786773232,
"volume": 165.5914047645812,
"volume_molar": 9.972147481384424,
"formula_full": "Hg2 As2 O6",
"formula_reduced": "HgAsO3",
"formula_anonymous": "ABC3",
"energy": -53.26915276999999,
"energy_per_atom": -5.3269152769999994,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.14715277,
"band_gap": 1.2351,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004472,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.049000Z",
"spacegroup": 162
},
{
"id": "mp-13673",
"created_at": "2022-09-04T14:42:14.383390Z",
"structure_string": "Na8 Si8 Au24\n1.0\n9.070363 0.000000 0.000000\n0.000000 9.070363 0.000000\n0.000000 0.000000 9.070363\nNa Si Au\n8 8 24\ndirect\n0.096757 0.096757 0.096757 Na\n0.403243 0.903243 0.596757 Na\n0.596757 0.403243 0.903243 Na\n0.903243 0.596757 0.403243 Na\n0.903243 0.903243 0.903243 Na\n0.596757 0.096757 0.403243 Na\n0.403243 0.596757 0.096757 Na\n0.096757 0.403243 0.596757 Na\n0.124047 0.875953 0.375953 Si\n0.875953 0.375953 0.124047 Si\n0.624047 0.624047 0.624047 Si\n0.624047 0.875953 0.124047 Si\n0.875953 0.124047 0.624047 Si\n0.124047 0.624047 0.875953 Si\n0.375953 0.375953 0.375953 Si\n0.375953 0.124047 0.875953 Si\n0.595531 0.726547 0.371462 Au\n0.726547 0.371462 0.595531 Au\n0.773453 0.628538 0.095531 Au\n0.273453 0.871462 0.904469 Au\n0.628538 0.095531 0.773453 Au\n0.595531 0.773453 0.871462 Au\n0.871462 0.595531 0.773453 Au\n0.628538 0.404469 0.273453 Au\n0.095531 0.726547 0.128538 Au\n0.128538 0.095531 0.726547 Au\n0.904469 0.226547 0.371462 Au\n0.404469 0.273453 0.628538 Au\n0.371462 0.904469 0.226547 Au\n0.273453 0.628538 0.404469 Au\n0.226547 0.371462 0.904469 Au\n0.726547 0.128538 0.095531 Au\n0.095531 0.773453 0.628538 Au\n0.871462 0.904469 0.273453 Au\n0.904469 0.273453 0.871462 Au\n0.371462 0.595531 0.726547 Au\n0.128538 0.404469 0.226547 Au\n0.404469 0.226547 0.128538 Au\n0.226547 0.128538 0.404469 Au\n0.773453 0.871462 0.595531 Au\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Na",
"Si",
"Au"
],
"chemical_system": "Au-Na-Si",
"density": 11.42834073000516,
"density_atomic": 0.053602616220276594,
"volume": 746.2322330615824,
"volume_molar": 11.234788867864937,
"formula_full": "Na8 Si8 Au24",
"formula_reduced": "NaSiAu3",
"formula_anonymous": "ABC3",
"energy": -142.85539421,
"energy_per_atom": -3.57138485525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -143.42339421,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.302611,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:41.210000Z",
"spacegroup": 205
},
{
"id": "mp-1272846",
"created_at": "2022-09-04T14:42:21.867824Z",
"structure_string": "Ca4 Fe4 O12\n1.0\n5.370722 -0.000235 0.053157\n-0.000238 5.502777 0.000020\n0.080839 0.000034 7.669175\nCa Fe O\n4 4 12\ndirect\n0.511111 0.549436 0.751490 Ca\n0.488887 0.450557 0.248515 Ca\n0.989082 0.049375 0.748494 Ca\n0.010916 0.950622 0.251508 Ca\n0.999998 0.500005 0.999989 Fe\n0.000015 0.500000 0.499995 Fe\n0.499989 0.000021 0.499994 Fe\n0.500012 0.999991 0.000001 Fe\n0.424931 0.984727 0.744749 O\n0.924992 0.515353 0.244798 O\n0.075002 0.484649 0.755206 O\n0.575068 0.015271 0.255249 O\n0.213468 0.199354 0.041609 O\n0.200999 0.210983 0.459458 O\n0.701166 0.289253 0.959570 O\n0.799009 0.789016 0.540545 O\n0.286233 0.699073 0.458414 O\n0.786531 0.800642 0.958393 O\n0.713761 0.300924 0.541586 O\n0.298830 0.710748 0.040434 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-O",
"density": 4.218090935409315,
"density_atomic": 0.08824946345741047,
"volume": 226.6302730514852,
"volume_molar": 6.823997023966394,
"formula_full": "Ca4 Fe4 O12",
"formula_reduced": "CaFeO3",
"formula_anonymous": "ABC3",
"energy": -145.75598869,
"energy_per_atom": -7.2877994345,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -128.48798869,
"band_gap": 0.0607000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.999247,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:42.713000Z",
"spacegroup": 14
},
{
"id": "mp-1184937",
"created_at": "2022-09-04T14:42:10.985076Z",
"structure_string": "K1 As1 O3\n1.0\n3.843473 0.000000 0.000000\n0.000000 3.843473 0.000000\n0.000000 0.000000 3.843473\nK As O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 As\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"As",
"O"
],
"chemical_system": "As-K-O",
"density": 4.738502659343299,
"density_atomic": 0.08806401882277684,
"volume": 56.77687739940846,
"volume_molar": 6.83836695225001,
"formula_full": "K1 As1 O3",
"formula_reduced": "KAsO3",
"formula_anonymous": "ABC3",
"energy": -28.19323309,
"energy_per_atom": -5.638646618,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.13223309,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.065477,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.664000Z",
"spacegroup": 221
},
{
"id": "mp-1209042",
"created_at": "2022-09-04T14:42:15.530045Z",
"structure_string": "Si6 C6 Cl18\n1.0\n7.407820 6.100602 0.000000\n-7.407820 6.100602 0.000000\n0.000000 1.583623 9.522725\nSi C Cl\n6 6 18\ndirect\n0.407090 0.181701 0.243349 Si\n0.592910 0.818299 0.756651 Si\n0.818299 0.592910 0.756651 Si\n0.181701 0.407090 0.243349 Si\n0.894882 0.894882 0.313763 Si\n0.105118 0.105118 0.686237 Si\n0.767684 0.767684 0.696202 C\n0.232316 0.232316 0.303798 C\n0.940328 0.940328 0.492400 C\n0.059672 0.059672 0.507600 C\n0.856106 0.856106 0.598368 C\n0.143894 0.143894 0.401632 C\n0.438502 0.186117 0.030861 Cl\n0.561498 0.813883 0.969139 Cl\n0.813883 0.561498 0.969139 Cl\n0.186117 0.438502 0.030861 Cl\n0.573112 0.320730 0.302277 Cl\n0.426888 0.679270 0.697723 Cl\n0.679270 0.426888 0.697723 Cl\n0.320730 0.573112 0.302277 Cl\n0.413023 0.981276 0.332725 Cl\n0.586977 0.018724 0.667275 Cl\n0.018724 0.586977 0.667275 Cl\n0.981276 0.413023 0.332725 Cl\n0.842271 0.065098 0.201542 Cl\n0.157729 0.934902 0.798458 Cl\n0.934902 0.157729 0.798458 Cl\n0.065098 0.842271 0.201542 Cl\n0.725722 0.725722 0.332201 Cl\n0.274278 0.274278 0.667799 Cl\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Si",
"C",
"Cl"
],
"chemical_system": "C-Cl-Si",
"density": 1.6953165112669097,
"density_atomic": 0.03485514569345991,
"volume": 860.7050523856822,
"volume_molar": 17.277623261032502,
"formula_full": "Si6 C6 Cl18",
"formula_reduced": "SiCCl3",
"formula_anonymous": "ABC3",
"energy": -156.72065573999998,
"energy_per_atom": -5.2240218579999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.66865574,
"band_gap": 3.4239,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033787,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.323000Z",
"spacegroup": 12
},
{
"id": "mp-973269",
"created_at": "2022-09-04T14:42:18.124984Z",
"structure_string": "Sb1 Te1 O3\n1.0\n4.173120 0.000000 0.000000\n0.000000 4.173120 0.000000\n0.000000 0.000000 4.173120\nSb Te O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sb",
"Te",
"O"
],
"chemical_system": "O-Sb-Te",
"density": 6.794326249409314,
"density_atomic": 0.06879983309262296,
"volume": 72.67459491171533,
"volume_molar": 8.75313280468659,
"formula_full": "Sb1 Te1 O3",
"formula_reduced": "SbTeO3",
"formula_anonymous": "ABC3",
"energy": -26.38528448,
"energy_per_atom": -5.2770568959999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.32428448,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0143964,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.834000Z",
"spacegroup": 221
},
{
"id": "mp-562466",
"created_at": "2022-09-04T14:42:09.923018Z",
"structure_string": "Sr4 Co4 O12\n1.0\n4.928848 0.000000 0.000000\n0.009439 5.500229 0.000000\n0.964041 0.058643 9.583158\nSr Co O\n4 4 12\ndirect\n0.467180 0.747540 0.656218 Sr\n0.532820 0.252460 0.343782 Sr\n0.979083 0.249783 0.653678 Sr\n0.020917 0.750217 0.346322 Sr\n0.500000 0.000000 0.000000 Co\n0.997314 0.750540 0.997181 Co\n0.500000 0.500000 0.000000 Co\n0.002686 0.249460 0.002819 Co\n0.809559 0.998699 0.105616 O\n0.314387 0.245623 0.103603 O\n0.304734 0.751447 0.100199 O\n0.513921 0.750607 0.394193 O\n0.185859 0.499901 0.896852 O\n0.695266 0.248553 0.899801 O\n0.814141 0.500099 0.103148 O\n0.486079 0.249393 0.605807 O\n0.190441 0.001301 0.894384 O\n0.685613 0.754377 0.896397 O\n0.979016 0.743130 0.604824 O\n0.020984 0.256870 0.395176 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"Co",
"O"
],
"chemical_system": "Co-O-Sr",
"density": 4.9740322030934,
"density_atomic": 0.07698305653925774,
"volume": 259.7974268506855,
"volume_molar": 7.822683367903158,
"formula_full": "Sr4 Co4 O12",
"formula_reduced": "SrCoO3",
"formula_anonymous": "ABC3",
"energy": -133.20781626,
"energy_per_atom": -6.660390812999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.41181626,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9999997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.891000Z",
"spacegroup": 2
},
{
"id": "mp-569052",
"created_at": "2022-09-04T14:42:11.232568Z",
"structure_string": "Ag4 Se12 I4\n1.0\n5.101597 0.000000 0.000000\n0.000000 8.251258 0.000000\n0.000000 0.000000 15.050090\nAg Se I\n4 12 4\ndirect\n0.697708 0.250000 0.750000 Ag\n0.302292 0.750000 0.250000 Ag\n0.302292 0.750000 0.750000 Ag\n0.697708 0.250000 0.250000 Ag\n0.385662 0.369795 0.621132 Se\n0.614338 0.869795 0.878868 Se\n0.600801 0.261043 0.000000 Se\n0.614338 0.869795 0.121132 Se\n0.399199 0.738957 0.000000 Se\n0.614338 0.630205 0.621132 Se\n0.385662 0.369795 0.378868 Se\n0.600801 0.238957 0.500000 Se\n0.399199 0.761043 0.500000 Se\n0.614338 0.630205 0.378868 Se\n0.385662 0.130205 0.121132 Se\n0.385662 0.130205 0.878868 Se\n0.000000 0.500000 0.165775 I\n0.000000 0.000000 0.334225 I\n0.000000 0.000000 0.665775 I\n0.000000 0.500000 0.834225 I\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ag",
"Se",
"I"
],
"chemical_system": "Ag-I-Se",
"density": 4.944996330259913,
"density_atomic": 0.03156927317807804,
"volume": 633.5274140517166,
"volume_molar": 19.075956313691197,
"formula_full": "Ag4 Se12 I4",
"formula_reduced": "AgSe3I",
"formula_anonymous": "ABC3",
"energy": -62.83898554,
"energy_per_atom": -3.141949277,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.322985540000005,
"band_gap": 1.3964,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.2e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:37.896000Z",
"spacegroup": 53
},
{
"id": "mp-975990",
"created_at": "2022-09-04T14:42:19.731955Z",
"structure_string": "Na1 Li1 O3\n1.0\n3.837825 0.000000 0.000000\n0.000000 3.837825 0.000000\n0.000000 0.000000 3.837825\nNa Li O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Li",
"O"
],
"chemical_system": "Li-Na-O",
"density": 2.289246331384625,
"density_atomic": 0.08845339399487066,
"volume": 56.52694344651089,
"volume_molar": 6.808264203348962,
"formula_full": "Na1 Li1 O3",
"formula_reduced": "NaLiO3",
"formula_anonymous": "ABC3",
"energy": -21.7694981,
"energy_per_atom": -4.35389962,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.7084981,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0004297,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.896000Z",
"spacegroup": 221
},
{
"id": "mp-998610",
"created_at": "2022-09-04T14:42:12.381006Z",
"structure_string": "Tl1 Ag1 Cl3\n1.0\n5.126083 0.000000 0.000000\n0.000000 5.126083 0.000000\n0.000000 0.000000 5.130441\nTl Ag Cl\n1 1 3\ndirect\n0.000000 0.000000 0.999137 Tl\n0.500000 0.500000 0.485559 Ag\n0.000000 0.500000 0.483506 Cl\n0.500000 0.500000 0.985423 Cl\n0.500000 0.000000 0.483506 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Tl",
"density": 5.156241496471542,
"density_atomic": 0.03708890734350362,
"volume": 134.8111971509936,
"volume_molar": 16.237040105347887,
"formula_full": "Tl1 Ag1 Cl3",
"formula_reduced": "TlAgCl3",
"formula_anonymous": "ABC3",
"energy": -15.81578915,
"energy_per_atom": -3.1631578300000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.97378915,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001758,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.616000Z",
"spacegroup": 99
},
{
"id": "mp-1373518",
"created_at": "2022-09-04T14:42:20.321377Z",
"structure_string": "Zn4 Fe4 O12\n1.0\n5.156405 0.000000 0.000000\n0.000000 5.205407 0.000000\n0.000000 0.000000 7.588825\nZn Fe O\n4 4 12\ndirect\n0.496938 0.544651 0.250000 Zn\n0.996938 0.955349 0.750000 Zn\n0.003062 0.044651 0.250000 Zn\n0.503062 0.455349 0.750000 Zn\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.379731 0.068375 0.750000 O\n0.879731 0.431625 0.250000 O\n0.120269 0.568375 0.750000 O\n0.620269 0.931625 0.250000 O\n0.181071 0.813069 0.434047 O\n0.681071 0.686931 0.565953 O\n0.318929 0.313069 0.065953 O\n0.818929 0.186931 0.934047 O\n0.181071 0.813069 0.065953 O\n0.681071 0.686931 0.934047 O\n0.818929 0.186931 0.565953 O\n0.318929 0.313069 0.434047 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"O"
],
"chemical_system": "Fe-O-Zn",
"density": 5.51908599048533,
"density_atomic": 0.09818694443183774,
"volume": 203.6930685207765,
"volume_molar": 6.133341652342205,
"formula_full": "Zn4 Fe4 O12",
"formula_reduced": "ZnFeO3",
"formula_anonymous": "ABC3",
"energy": -126.66820810000002,
"energy_per_atom": -6.333410405,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.4002081,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.649000Z",
"spacegroup": 62
}
]
}