HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=3819",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=3817",
"results": [
{
"id": "jvasp-58588",
"created_at": "2022-09-04T14:37:20.127796Z",
"updated_at": "2022-09-04T14:37:20.127822Z",
"structure_string": "Ca2 Cu4 O8\n1.0\n6.154172 -0.039730 0.001157\n3.042680 5.349533 0.001158\n3.066562 1.770481 5.007676\nCa Cu O\n2 4 8\ndirect\n0.125000 0.624999 0.625001 Ca\n0.624999 0.124999 0.625001 Ca\n0.985553 0.985553 0.014447 Cu\n0.264446 0.264446 0.235554 Cu\n0.625000 0.624999 0.125001 Cu\n0.625000 0.624999 0.625001 Cu\n0.406342 0.406342 0.333381 O\n0.401232 0.876794 0.360988 O\n0.406342 0.406342 0.853936 O\n0.876794 0.401232 0.360988 O\n0.373205 0.848766 0.889014 O\n0.848767 0.373205 0.889014 O\n0.843657 0.843657 0.396067 O\n0.843657 0.843656 0.916621 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Cu",
"O"
],
"chemical_system": "Ca-Cu-O",
"density": 4.640443868884835,
"density_atomic": 0.08462165253207003,
"volume": 165.44229025419068,
"volume_molar": 7.116548282625089,
"formula_full": "Ca2 Cu4 O8",
"formula_reduced": "Ca(CuO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1967093314285713,
"spacegroup": 74
},
{
"id": "jvasp-86997",
"created_at": "2022-09-04T14:35:41.881393Z",
"updated_at": "2022-09-04T14:35:41.881423Z",
"structure_string": "Ca2 Cu4 O6\n1.0\n3.584597 0.000000 0.000000\n-0.000000 4.156873 0.000000\n0.000000 0.000000 10.023060\nCa Cu O\n2 4 6\ndirect\n0.380247 0.250000 0.250000 Ca\n0.619754 0.749999 0.750000 Ca\n0.131544 0.250000 0.914483 Cu\n0.131544 0.250000 0.585517 Cu\n0.868456 0.749999 0.085517 Cu\n0.868456 0.749999 0.414483 Cu\n0.620111 0.749999 0.250000 O\n0.379890 0.250000 0.750000 O\n0.900130 0.250000 0.415422 O\n0.099871 0.749999 0.915422 O\n0.099871 0.749999 0.584578 O\n0.900130 0.250000 0.084578 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Cu",
"O"
],
"chemical_system": "Ca-Cu-O",
"density": 4.784645396746835,
"density_atomic": 0.08034776907327269,
"volume": 149.35075532783827,
"volume_molar": 7.495093926638017,
"formula_full": "Ca2 Cu4 O6",
"formula_reduced": "CaCu2O3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.8397503033333333,
"spacegroup": 59
},
{
"id": "jvasp-49827",
"created_at": "2022-09-04T14:37:07.763136Z",
"updated_at": "2022-09-04T14:37:07.763156Z",
"structure_string": "Ca2 Cu4 O4\n1.0\n-2.640144 2.640144 4.787714\n2.640144 -2.640144 4.787714\n2.640144 2.640144 -4.787714\nCa Cu O\n2 4 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.749999 0.250000 0.499999 Ca\n0.874999 0.625000 0.250000 Cu\n0.375000 0.624999 0.250000 Cu\n0.374999 0.125000 0.749999 Cu\n0.374999 0.624999 0.749999 Cu\n0.237990 0.237990 0.000000 O\n0.512009 0.012010 0.499999 O\n0.762009 0.762009 0.000000 O\n0.987989 0.487990 0.499999 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Cu",
"O"
],
"chemical_system": "Ca-Cu-O",
"density": 4.955151977661394,
"density_atomic": 0.07491289475806846,
"volume": 133.48836715354608,
"volume_molar": 8.03885736821215,
"formula_full": "Ca2 Cu4 O4",
"formula_reduced": "Ca(CuO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.4372156639999995,
"spacegroup": 141
},
{
"id": "jvasp-21297",
"created_at": "2022-09-04T14:37:07.151659Z",
"updated_at": "2022-09-04T14:37:07.151670Z",
"structure_string": "Ca2 Cu2 Si4 O12\n1.0\n5.136523 0.029170 1.090276\n1.278639 6.573335 0.604477\n0.017132 -0.006285 6.723743\nCa Cu Si O\n2 2 4 12\ndirect\n0.749999 0.297345 0.702655 Ca\n0.250001 0.702655 0.297346 Ca\n0.249999 0.096376 0.903624 Cu\n0.749998 0.903626 0.096377 Cu\n0.280768 0.192310 0.378382 Si\n0.219230 0.621618 0.807689 Si\n0.780768 0.378382 0.192311 Si\n0.719231 0.807690 0.621619 Si\n0.631858 0.976308 0.795557 O\n0.868141 0.204443 0.023693 O\n0.677358 0.606191 0.108792 O\n0.822640 0.891210 0.393810 O\n0.322640 0.393808 0.891209 O\n0.981833 0.628535 0.672883 O\n0.018165 0.371465 0.327118 O\n0.481835 0.672882 0.628536 O\n0.368140 0.023692 0.204444 O\n0.518165 0.327119 0.371464 O\n0.177359 0.108790 0.606190 O\n0.131859 0.795557 0.976308 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Cu",
"Si",
"O"
],
"chemical_system": "Ca-Cu-O-Si",
"density": 3.7479428510220867,
"density_atomic": 0.0882384607812876,
"volume": 226.65853215156406,
"volume_molar": 6.824847925358522,
"formula_full": "Ca2 Cu2 Si4 O12",
"formula_reduced": "CaCu(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.123439907,
"spacegroup": 15
},
{
"id": "jvasp-15653",
"created_at": "2022-09-04T14:35:58.965771Z",
"updated_at": "2022-09-04T14:35:58.965791Z",
"structure_string": "Ca2 Cu2 Sb2\n1.0\n2.235695 -3.872338 0.000000\n2.235695 3.872338 -0.000000\n-0.000000 0.000000 8.129527\nCa Cu Sb\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.333332 0.666666 0.750000 Cu\n0.666666 0.333332 0.250000 Cu\n0.333332 0.666666 0.250000 Sb\n0.666666 0.333332 0.750000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Cu",
"Sb"
],
"chemical_system": "Ca-Cu-Sb",
"density": 5.317666396069848,
"density_atomic": 0.04262556645048617,
"volume": 140.76059275293375,
"volume_molar": 14.128001716986715,
"formula_full": "Ca2 Cu2 Sb2",
"formula_reduced": "CaCuSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-16052",
"created_at": "2022-09-04T14:35:56.724515Z",
"updated_at": "2022-09-04T14:35:56.724541Z",
"structure_string": "Ca2 Cu2 P2\n1.0\n2.025521 -3.508305 0.000000\n2.025521 3.508305 -0.000000\n0.000000 0.000000 7.839244\nCa Cu P\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.750000 Cu\n0.666667 0.333333 0.250000 Cu\n0.666667 0.333333 0.750000 P\n0.333333 0.666667 0.250000 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Cu",
"P"
],
"chemical_system": "Ca-Cu-P",
"density": 4.0121638577614265,
"density_atomic": 0.05385338170475763,
"volume": 111.4136161939471,
"volume_molar": 11.182474655009417,
"formula_full": "Ca2 Cu2 P2",
"formula_reduced": "CaCuP",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3078054566666667,
"spacegroup": 194
},
{
"id": "jvasp-97604",
"created_at": "2022-09-04T14:35:44.224820Z",
"updated_at": "2022-09-04T14:35:44.224850Z",
"structure_string": "Ca2 Cu2 H8 C8 O16\n1.0\n6.449989 0.052914 0.000000\n-0.901024 7.249171 0.000000\n0.000000 0.000000 8.337046\nCa Cu H C O\n2 2 8 8 16\ndirect\n0.750000 -0.000000 0.136462 Ca\n0.250000 -0.000000 0.863538 Ca\n0.750000 0.499999 0.405196 Cu\n0.250000 0.500000 0.594805 Cu\n0.722825 0.847186 0.552689 H\n0.777176 0.152813 0.552689 H\n0.907134 0.433103 0.846414 H\n0.222825 0.847186 0.447311 H\n0.277176 0.152813 0.447311 H\n0.092867 0.566896 0.153586 H\n0.407134 0.433103 0.153586 H\n0.592867 0.566896 0.846414 H\n0.504018 0.318125 0.142765 C\n0.629767 0.191055 0.602437 C\n0.870234 0.808944 0.602437 C\n0.370234 0.808944 0.397564 C\n0.495983 0.681874 0.857235 C\n0.004018 0.318125 0.857235 C\n0.129767 0.191055 0.397564 C\n0.995983 0.681874 0.142765 C\n0.037505 0.805906 0.038919 O\n0.913899 0.644711 0.571321 O\n0.158739 0.314812 0.761702 O\n0.086101 0.355288 0.428680 O\n0.413899 0.644712 0.428680 O\n0.537505 0.805906 0.961081 O\n0.586101 0.355288 0.571321 O\n0.658739 0.314812 0.238298 O\n0.841261 0.685187 0.238298 O\n0.341261 0.685188 0.761702 O\n0.462496 0.194093 0.038919 O\n0.016766 0.075845 0.316090 O\n0.983235 0.924154 0.683910 O\n0.516766 0.075845 0.683910 O\n0.962496 0.194093 0.961081 O\n0.483235 0.924154 0.316090 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Ca",
"Cu",
"H",
"C",
"O"
],
"chemical_system": "C-Ca-Cu-H-O",
"density": 2.4144974381375124,
"density_atomic": 0.09225722199835147,
"volume": 390.2133537105992,
"volume_molar": 6.527554840213603,
"formula_full": "Ca2 Cu2 H8 C8 O16",
"formula_reduced": "CaCuH4(CO2)4",
"formula_anonymous": "ABC4D4E8",
"energy_above_hull": 3.623857159444444,
"spacegroup": 13
},
{
"id": "jvasp-10963",
"created_at": "2022-09-04T14:37:11.329708Z",
"updated_at": "2022-09-04T14:37:11.329739Z",
"structure_string": "Ca2 Cu2 F8\n1.0\n4.936489 0.000000 -2.281001\n-1.053982 4.822660 -2.281001\n-0.012308 -0.015287 6.455580\nCa Cu F\n2 2 8\ndirect\n0.250000 0.250000 0.500000 Ca\n0.750000 0.750000 0.500000 Ca\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.949492 0.449492 0.257091 F\n0.692400 0.192400 0.742909 F\n0.050508 0.550508 0.742909 F\n0.192400 0.050508 0.742909 F\n0.307600 0.807600 0.257091 F\n0.449492 0.307599 0.257091 F\n0.807600 0.949492 0.257091 F\n0.550508 0.692400 0.742910 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Cu",
"F"
],
"chemical_system": "Ca-Cu-F",
"density": 3.890110076525453,
"density_atomic": 0.07825554553019798,
"volume": 153.34376520791525,
"volume_molar": 7.695481156253803,
"formula_full": "Ca2 Cu2 F8",
"formula_reduced": "CaCuF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-15321",
"created_at": "2022-09-04T14:36:43.885653Z",
"updated_at": "2022-09-04T14:36:43.885684Z",
"structure_string": "Ca2 Cu2 As2\n1.0\n2.100090 -3.637463 -0.000000\n2.100090 3.637463 0.000000\n-0.000000 -0.000000 7.884920\nCa Cu As\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n0.666667 0.333333 0.250000 As\n0.333333 0.666667 0.750000 As\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Cu",
"As"
],
"chemical_system": "As-Ca-Cu",
"density": 4.922259057993068,
"density_atomic": 0.04980666605281186,
"volume": 120.46580258228842,
"volume_molar": 12.091033665281872,
"formula_full": "Ca2 Cu2 As2",
"formula_reduced": "CaCuAs",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1381008733333335,
"spacegroup": 194
},
{
"id": "jvasp-106928",
"created_at": "2022-09-04T14:36:52.427901Z",
"updated_at": "2022-09-04T14:36:52.427925Z",
"structure_string": "Ca2 Cu1 S2 O2\n1.0\n3.848878 -0.000000 0.000000\n0.000000 3.848878 0.000000\n0.000000 0.000000 7.717241\nCa Cu S O\n2 1 2 2\ndirect\n0.500000 0.500000 0.705507 Ca\n0.500000 0.500000 0.294492 Ca\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.860279 S\n0.000000 0.000000 0.139721 S\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ca",
"Cu",
"S",
"O"
],
"chemical_system": "Ca-Cu-O-S",
"density": 3.4835632488906954,
"density_atomic": 0.06123048318607405,
"volume": 114.32214210571581,
"volume_molar": 9.835200453504907,
"formula_full": "Ca2 Cu1 S2 O2",
"formula_reduced": "Ca2Cu(SO)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 0.93284547,
"spacegroup": 123
},
{
"id": "jvasp-105126",
"created_at": "2022-09-04T14:36:52.169984Z",
"updated_at": "2022-09-04T14:36:52.170009Z",
"structure_string": "Ca2 Cu1 Rh1\n1.0\n4.229769 -0.000000 2.442058\n1.409923 3.987865 2.442058\n-0.000000 -0.000000 4.884117\nCa Cu Rh\n2 1 1\ndirect\n0.750000 0.749999 0.750001 Ca\n0.250000 0.250000 0.250000 Ca\n0.500000 0.499999 0.500001 Cu\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Cu",
"Rh"
],
"chemical_system": "Ca-Cu-Rh",
"density": 4.970638979337227,
"density_atomic": 0.048553085548583924,
"volume": 82.38405355304266,
"volume_molar": 12.403209171895027,
"formula_full": "Ca2 Cu1 Rh1",
"formula_reduced": "Ca2CuRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3120835725000001,
"spacegroup": 225
},
{
"id": "jvasp-15650",
"created_at": "2022-09-04T14:35:46.549321Z",
"updated_at": "2022-09-04T14:35:46.549343Z",
"structure_string": "Ca2 Cu1 O3\n1.0\n3.154500 0.000000 -0.802188\n-0.277163 3.643595 -1.089907\n-0.003865 -0.024912 6.588228\nCa Cu O\n2 1 3\ndirect\n0.350662 0.850662 0.701325 Ca\n0.649337 0.149337 0.298674 Ca\n0.000000 0.499999 -0.000000 Cu\n0.000000 0.000000 0.000000 O\n0.839069 0.339070 0.678139 O\n0.160930 0.660929 0.321860 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Cu",
"O"
],
"chemical_system": "Ca-Cu-O",
"density": 4.209500814103924,
"density_atomic": 0.07934328636265037,
"volume": 75.62076484425036,
"volume_molar": 7.589981504515586,
"formula_full": "Ca2 Cu1 O3",
"formula_reduced": "Ca2CuO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.6913902983333332,
"spacegroup": 71
}
]
}