HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=formula_anonymous&page=46",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=formula_anonymous&page=44",
"results": [
{
"id": "oqmd-1214961",
"created_at": "2022-09-04T15:39:03.909421Z",
"updated_at": "2022-09-04T15:39:03.909451Z",
"structure_string": "Cl8\n1.0\n5.468320 0.000000 0.000000\n0.000000 5.468320 0.000000\n0.000000 0.000000 5.468320\nCl\n8\ndirect\n0.000000 0.000000 0.000000 Cl\n0.500000 0.250000 0.000000 Cl\n0.500000 0.750000 0.000000 Cl\n0.000000 0.500000 0.250000 Cl\n0.250000 0.000000 0.500000 Cl\n0.750000 0.000000 0.500000 Cl\n0.500000 0.500000 0.500000 Cl\n0.000000 0.500000 0.750000 Cl\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Cl"
],
"chemical_system": "Cl",
"density": 2.880250839767005,
"density_atomic": 0.04892470591255822,
"volume": 163.5165679748424,
"volume_molar": 12.308997361707613,
"formula_full": "Cl8",
"formula_reduced": "Cl",
"formula_anonymous": "A",
"formation_energy": 0.81303644625,
"spacegroup": 223
},
{
"id": "oqmd-1214857",
"created_at": "2022-09-04T15:39:03.548485Z",
"updated_at": "2022-09-04T15:39:03.548519Z",
"structure_string": "Ac20\n1.0\n9.650378 0.000000 0.000000\n0.000000 9.650378 0.000000\n0.000000 0.000000 9.650378\nAc\n20\ndirect\n0.875000 0.704189 0.045812 Ac\n0.061903 0.061903 0.061903 Ac\n0.204189 0.454188 0.125000 Ac\n0.811903 0.311903 0.188096 Ac\n0.454188 0.125000 0.204189 Ac\n0.545812 0.625000 0.295811 Ac\n0.188096 0.811903 0.311903 Ac\n0.795811 0.954189 0.375000 Ac\n0.938097 0.561903 0.438097 Ac\n0.125000 0.204189 0.454188 Ac\n0.625000 0.295811 0.545812 Ac\n0.438097 0.938097 0.561903 Ac\n0.295811 0.545812 0.625000 Ac\n0.688096 0.688096 0.688096 Ac\n0.045812 0.875000 0.704189 Ac\n0.954189 0.375000 0.795811 Ac\n0.311903 0.188096 0.811903 Ac\n0.704189 0.045812 0.875000 Ac\n0.561903 0.438097 0.938097 Ac\n0.375000 0.795811 0.954189 Ac\n",
"nsites": 20,
"nelements": 1,
"elements": [
"Ac"
],
"chemical_system": "Ac",
"density": 8.388261792382545,
"density_atomic": 0.02225343315546898,
"volume": 898.7377300515458,
"volume_molar": 27.06162558346645,
"formula_full": "Ac20",
"formula_reduced": "Ac",
"formula_anonymous": "A",
"formation_energy": 0.133618061,
"spacegroup": 213
},
{
"id": "oqmd-1214947",
"created_at": "2022-09-04T15:39:03.552951Z",
"updated_at": "2022-09-04T15:39:03.552968Z",
"structure_string": "Ag8\n1.0\n5.228853 0.000000 0.000000\n0.000000 5.228853 0.000000\n0.000000 0.000000 5.228853\nAg\n8\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500001 0.249999 0.000000 Ag\n0.500001 0.750000 0.000000 Ag\n0.000000 0.500001 0.249999 Ag\n0.249999 0.000000 0.500001 Ag\n0.750000 0.000000 0.500001 Ag\n0.500001 0.500001 0.500001 Ag\n0.000000 0.500001 0.750000 Ag\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Ag"
],
"chemical_system": "Ag",
"density": 10.023357452787968,
"density_atomic": 0.05595909590532153,
"volume": 142.9615663114962,
"volume_molar": 10.7616834449738,
"formula_full": "Ag8",
"formula_reduced": "Ag",
"formula_anonymous": "A",
"formation_energy": 0.0948937525,
"spacegroup": 223
},
{
"id": "oqmd-1214694",
"created_at": "2022-09-04T15:39:03.557654Z",
"updated_at": "2022-09-04T15:39:03.557671Z",
"structure_string": "Cl4\n1.0\n-2.658519 -4.396704 0.000000\n-2.658519 4.396704 0.000000\n0.000000 0.000000 -5.228201\nCl\n4\ndirect\n0.113732 0.886265 0.008877 Cl\n0.613731 0.386265 0.491123 Cl\n0.386265 0.613731 0.508877 Cl\n0.886265 0.113732 0.991125 Cl\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Cl"
],
"chemical_system": "Cl",
"density": 1.9266942928856507,
"density_atomic": 0.03272734109174327,
"volume": 122.22196691099826,
"volume_molar": 18.40094721755235,
"formula_full": "Cl4",
"formula_reduced": "Cl",
"formula_anonymous": "A",
"formation_energy": 0.03391363,
"spacegroup": 64
},
{
"id": "oqmd-1214959",
"created_at": "2022-09-04T15:39:03.565828Z",
"updated_at": "2022-09-04T15:39:03.565856Z",
"structure_string": "Cd8\n1.0\n5.613676 0.000000 0.000000\n0.000000 5.613676 0.000000\n0.000000 0.000000 5.613676\nCd\n8\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.250000 0.000000 Cd\n0.500000 0.750000 0.000000 Cd\n0.000000 0.500000 0.250000 Cd\n0.250000 0.000000 0.500000 Cd\n0.750000 0.000000 0.500000 Cd\n0.500000 0.500000 0.500000 Cd\n0.000000 0.500000 0.750000 Cd\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Cd"
],
"chemical_system": "Cd",
"density": 8.441232573394963,
"density_atomic": 0.045221811710996915,
"volume": 176.90578279185976,
"volume_molar": 13.316894065382067,
"formula_full": "Cd8",
"formula_reduced": "Cd",
"formula_anonymous": "A",
"formation_energy": 0.0245089550000001,
"spacegroup": 223
},
{
"id": "oqmd-1214866",
"created_at": "2022-09-04T15:39:03.570827Z",
"updated_at": "2022-09-04T15:39:03.570855Z",
"structure_string": "Bi20\n1.0\n8.760411 0.000000 0.000000\n0.000000 8.760411 0.000000\n0.000000 0.000000 8.760411\nBi\n20\ndirect\n0.014699 0.014699 0.014699 Bi\n0.875000 0.674996 0.075003 Bi\n0.174996 0.424997 0.125000 Bi\n0.424997 0.125000 0.174996 Bi\n0.764699 0.264699 0.235301 Bi\n0.235301 0.764699 0.264699 Bi\n0.575004 0.624999 0.325003 Bi\n0.825004 0.924997 0.375000 Bi\n0.125000 0.174996 0.424997 Bi\n0.985300 0.514700 0.485300 Bi\n0.485300 0.985300 0.514700 Bi\n0.624999 0.325003 0.575004 Bi\n0.325003 0.575004 0.624999 Bi\n0.075003 0.875000 0.674996 Bi\n0.735300 0.735300 0.735300 Bi\n0.264699 0.235301 0.764699 Bi\n0.924997 0.375000 0.825004 Bi\n0.674996 0.075003 0.875000 Bi\n0.375000 0.825004 0.924997 Bi\n0.514700 0.485300 0.985300 Bi\n",
"nsites": 20,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 10.323125418331985,
"density_atomic": 0.029747916251386636,
"volume": 672.3159979001132,
"volume_molar": 20.24390787277173,
"formula_full": "Bi20",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"formation_energy": 0.148630941,
"spacegroup": 213
},
{
"id": "oqmd-1215065",
"created_at": "2022-09-04T15:39:03.919693Z",
"updated_at": "2022-09-04T15:39:03.919736Z",
"structure_string": "Hf4\n1.0\n0.000000 0.000000 3.229313\n5.179066 0.000000 0.000000\n2.589533 5.371173 0.000000\nHf\n4\ndirect\n0.999792 0.363914 0.272171 Hf\n0.500206 0.863915 0.272171 Hf\n0.499794 0.136084 0.727830 Hf\n0.000207 0.636086 0.727830 Hf\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Hf"
],
"chemical_system": "Hf",
"density": 13.197517639065017,
"density_atomic": 0.044527597586698456,
"volume": 89.83192933801809,
"volume_molar": 13.524513080397965,
"formula_full": "Hf4",
"formula_reduced": "Hf",
"formula_anonymous": "A",
"formation_energy": 0.266910682499999,
"spacegroup": 69
},
{
"id": "oqmd-1214769",
"created_at": "2022-09-04T15:39:03.567735Z",
"updated_at": "2022-09-04T15:39:03.567773Z",
"structure_string": "Ag29\n1.0\n5.050110 5.050110 5.050110\n5.050110 -5.050110 -5.050110\n-5.050110 5.050110 -5.050110\nAg\n29\ndirect\n0.000000 0.000000 0.000000 Ag\n0.654219 0.000000 0.000000 Ag\n0.379223 0.191212 0.000000 Ag\n0.191212 0.379223 0.000000 Ag\n0.688184 0.412055 0.000000 Ag\n0.000000 0.654219 0.000000 Ag\n0.412055 0.688184 0.000000 Ag\n0.808788 0.808788 0.188012 Ag\n0.379223 0.000000 0.191212 Ag\n0.000000 0.379223 0.191212 Ag\n0.587945 0.587945 0.276129 Ag\n0.723871 0.311816 0.311816 Ag\n0.311816 0.723871 0.311816 Ag\n0.345781 0.345781 0.345781 Ag\n0.191212 0.000000 0.379223 Ag\n0.000000 0.191212 0.379223 Ag\n0.688184 0.000000 0.412055 Ag\n0.000000 0.688184 0.412055 Ag\n0.587945 0.276129 0.587945 Ag\n0.276129 0.587945 0.587945 Ag\n0.811988 0.620777 0.620777 Ag\n0.620777 0.811988 0.620777 Ag\n0.000000 0.000000 0.654219 Ag\n0.412055 0.000000 0.688184 Ag\n0.000000 0.412055 0.688184 Ag\n0.311816 0.311816 0.723871 Ag\n0.808788 0.188012 0.808788 Ag\n0.188012 0.808788 0.808788 Ag\n0.620777 0.620777 0.811988 Ag\n",
"nsites": 29,
"nelements": 1,
"elements": [
"Ag"
],
"chemical_system": "Ag",
"density": 10.082727317362641,
"density_atomic": 0.056290550107296146,
"volume": 515.1841640332653,
"volume_molar": 10.698315700452596,
"formula_full": "Ag29",
"formula_reduced": "Ag",
"formula_anonymous": "A",
"formation_energy": 0.0647211535344798,
"spacegroup": 217
},
{
"id": "oqmd-1214780",
"created_at": "2022-09-04T15:39:03.584427Z",
"updated_at": "2022-09-04T15:39:03.584461Z",
"structure_string": "Ca29\n1.0\n6.632417 6.632417 6.632417\n6.632417 -6.632417 -6.632417\n-6.632417 6.632417 -6.632417\nCa\n29\ndirect\n0.000000 0.000000 0.000000 Ca\n0.634294 0.000000 0.000000 Ca\n0.376311 0.189973 0.000000 Ca\n0.189973 0.376311 0.000000 Ca\n0.682416 0.407250 0.000000 Ca\n0.000000 0.634294 0.000000 Ca\n0.407250 0.682416 0.000000 Ca\n0.810027 0.810027 0.186338 Ca\n0.376311 0.000000 0.189973 Ca\n0.000000 0.376311 0.189973 Ca\n0.592750 0.592750 0.275167 Ca\n0.724834 0.317583 0.317583 Ca\n0.317583 0.724834 0.317583 Ca\n0.365705 0.365705 0.365705 Ca\n0.189973 0.000000 0.376311 Ca\n0.000000 0.189973 0.376311 Ca\n0.682416 0.000000 0.407250 Ca\n0.000000 0.682416 0.407250 Ca\n0.592750 0.275167 0.592750 Ca\n0.275167 0.592750 0.592750 Ca\n0.813661 0.623689 0.623689 Ca\n0.623689 0.813661 0.623689 Ca\n0.000000 0.000000 0.634294 Ca\n0.407250 0.000000 0.682416 Ca\n0.000000 0.407250 0.682416 Ca\n0.317583 0.317583 0.724834 Ca\n0.810027 0.186338 0.810027 Ca\n0.186338 0.810027 0.810027 Ca\n0.623689 0.623689 0.813661 Ca\n",
"nsites": 29,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.6537797642450465,
"density_atomic": 0.02484977925486552,
"volume": 1167.0123787647683,
"volume_molar": 24.234182115806448,
"formula_full": "Ca29",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"formation_energy": 0.0490816337930999,
"spacegroup": 217
},
{
"id": "oqmd-1214873",
"created_at": "2022-09-04T15:39:03.593745Z",
"updated_at": "2022-09-04T15:39:03.593772Z",
"structure_string": "Co20\n1.0\n6.008148 0.000000 0.000000\n0.000000 6.008148 0.000000\n0.000000 0.000000 6.008148\nCo\n20\ndirect\n0.875000 0.699106 0.050894 Co\n0.056834 0.056834 0.056834 Co\n0.199105 0.449105 0.125000 Co\n0.806834 0.306835 0.193166 Co\n0.449105 0.125000 0.199105 Co\n0.550895 0.625000 0.300895 Co\n0.193166 0.806834 0.306835 Co\n0.800894 0.949105 0.375001 Co\n0.943166 0.556834 0.443165 Co\n0.125000 0.199105 0.449105 Co\n0.625000 0.300895 0.550895 Co\n0.443165 0.943166 0.556834 Co\n0.300895 0.550895 0.625000 Co\n0.693165 0.693165 0.693165 Co\n0.050894 0.875000 0.699106 Co\n0.949105 0.375001 0.800894 Co\n0.306835 0.193166 0.806834 Co\n0.699106 0.050894 0.875000 Co\n0.556834 0.443165 0.943166 Co\n0.375001 0.800894 0.949105 Co\n",
"nsites": 20,
"nelements": 1,
"elements": [
"Co"
],
"chemical_system": "Co",
"density": 9.024376648628099,
"density_atomic": 0.092216392591775,
"volume": 216.88117955921697,
"volume_molar": 6.530444957502197,
"formula_full": "Co20",
"formula_reduced": "Co",
"formula_anonymous": "A",
"formation_energy": 0.0309987700000001,
"spacegroup": 213
},
{
"id": "oqmd-1214795",
"created_at": "2022-09-04T15:39:03.601386Z",
"updated_at": "2022-09-04T15:39:03.601407Z",
"structure_string": "Ge29\n1.0\n5.280116 5.280116 5.280116\n5.280116 -5.280116 -5.280116\n-5.280116 5.280116 -5.280116\nGe\n29\ndirect\n0.000000 0.000000 0.000000 Ge\n0.724480 0.000000 0.000000 Ge\n0.459357 0.205228 0.000000 Ge\n0.205228 0.459357 0.000000 Ge\n0.729473 0.489347 0.000000 Ge\n0.000000 0.724480 0.000000 Ge\n0.489347 0.729473 0.000000 Ge\n0.459357 0.000000 0.205228 Ge\n0.000000 0.459357 0.205228 Ge\n0.510653 0.510653 0.240125 Ge\n0.794772 0.794772 0.254129 Ge\n0.759874 0.270527 0.270527 Ge\n0.270527 0.759874 0.270527 Ge\n0.275519 0.275519 0.275519 Ge\n0.205228 0.000000 0.459357 Ge\n0.000000 0.205228 0.459357 Ge\n0.729473 0.000000 0.489347 Ge\n0.000000 0.729473 0.489347 Ge\n0.510653 0.240125 0.510653 Ge\n0.240125 0.510653 0.510653 Ge\n0.745872 0.540643 0.540643 Ge\n0.540643 0.745872 0.540643 Ge\n0.000000 0.000000 0.724480 Ge\n0.489347 0.000000 0.729473 Ge\n0.000000 0.489347 0.729473 Ge\n0.540643 0.540643 0.745872 Ge\n0.270527 0.270527 0.759874 Ge\n0.794772 0.254129 0.794772 Ge\n0.254129 0.794772 0.794772 Ge\n",
"nsites": 29,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 5.940630605049942,
"density_atomic": 0.04925015655167663,
"volume": 588.8306155853783,
"volume_molar": 12.227658106388269,
"formula_full": "Ge29",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"formation_energy": 0.31555576224138,
"spacegroup": 217
},
{
"id": "oqmd-686734",
"created_at": "2022-09-04T15:39:32.092429Z",
"updated_at": "2022-09-04T15:39:32.092446Z",
"structure_string": "U2\n1.0\n2.793183 0.000000 0.000000\n1.396592 2.916328 0.000000\n0.000000 0.000000 4.894076\nU\n2\ndirect\n0.900691 0.198616 0.250000 U\n0.099307 0.801384 0.750001 U\n",
"nsites": 2,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 19.829069457911267,
"density_atomic": 0.050167623528009804,
"volume": 39.86634923783765,
"volume_molar": 12.004038334878853,
"formula_full": "U2",
"formula_reduced": "U",
"formula_anonymous": "A",
"formation_energy": 0.0008448899999997,
"spacegroup": 63
}
]
}