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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=505",
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"results": [
{
"id": "jvasp-59573",
"created_at": "2022-09-04T14:37:05.678574Z",
"updated_at": "2022-09-04T14:37:05.678604Z",
"structure_string": "Sr6 Ni2 Ir2 O12\n1.0\n6.696320 0.028220 -0.202586\n-0.209659 6.693097 -0.202586\n0.027235 0.028220 6.699329\nSr Ni Ir O\n6 2 2 12\ndirect\n0.385941 0.114059 0.750000 Sr\n0.885941 0.250001 0.614059 Sr\n0.249999 0.614059 0.885940 Sr\n0.114058 0.750000 0.385941 Sr\n0.614057 0.885942 0.249999 Sr\n0.749999 0.385941 0.114058 Sr\n0.250000 0.249999 0.250000 Ni\n0.750000 0.750000 0.749999 Ni\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.499999 Ir\n0.093339 0.287225 0.963060 O\n0.787224 0.593340 0.463060 O\n0.536938 0.212775 0.406660 O\n0.406660 0.536940 0.212776 O\n0.212776 0.406661 0.536939 O\n0.712776 0.036940 0.906661 O\n0.906661 0.712777 0.036938 O\n0.036939 0.906662 0.712775 O\n0.463060 0.787224 0.593339 O\n0.593338 0.463060 0.787224 O\n0.963060 0.093339 0.287223 O\n0.287223 0.963061 0.093338 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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],
"chemical_system": "Ir-Ni-O-Sr",
"density": 6.741874278950239,
"density_atomic": 0.07324204515382235,
"volume": 300.3739171099848,
"volume_molar": 8.222245497585913,
"formula_full": "Sr6 Ni2 Ir2 O12",
"formula_reduced": "Sr3NiIrO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.83588213,
"spacegroup": 167
},
{
"id": "jvasp-59715",
"created_at": "2022-09-04T14:37:29.561856Z",
"updated_at": "2022-09-04T14:37:29.561876Z",
"structure_string": "Tl1 Hg1 N3 O6\n1.0\n5.846224 -0.000000 -0.000000\n-0.000000 5.846224 -0.000000\n0.000000 -0.000000 5.846224\nTl Hg N O\n1 1 3 6\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Hg\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.500000 N\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.711992 O\n0.000000 0.711992 0.500000 O\n0.000000 0.288007 0.500000 O\n0.500000 0.000000 0.288007 O\n0.288007 0.500000 0.000000 O\n0.711992 0.500000 0.000000 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Tl",
"Hg",
"N",
"O"
],
"chemical_system": "Hg-N-O-Tl",
"density": 4.512470902941382,
"density_atomic": 0.05505114176829682,
"volume": 199.81420269714997,
"volume_molar": 10.939175040812806,
"formula_full": "Tl1 Hg1 N3 O6",
"formula_reduced": "TlHg(NO2)3",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 3.085104359090909,
"spacegroup": 200
},
{
"id": "jvasp-49721",
"created_at": "2022-09-04T14:37:16.875427Z",
"updated_at": "2022-09-04T14:37:16.875436Z",
"structure_string": "Ca6 Sc2 Co2 O12\n1.0\n6.354998 0.006613 -0.267154\n-0.278897 6.348879 -0.267154\n0.006321 0.006613 6.360609\nCa Sc Co O\n6 2 2 12\ndirect\n0.750000 0.380405 0.119596 Ca\n0.119595 0.750000 0.380406 Ca\n0.380405 0.119595 0.750000 Ca\n0.619595 0.880405 0.250001 Ca\n0.880405 0.249999 0.619596 Ca\n0.250000 0.619595 0.880406 Ca\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750001 Sc\n0.500000 0.500000 0.500001 Co\n0.000000 0.000000 0.000000 Co\n0.456837 0.791248 0.588067 O\n0.411934 0.543162 0.208753 O\n0.208752 0.411934 0.543163 O\n0.588066 0.456837 0.791249 O\n0.708752 0.043162 0.911934 O\n0.956838 0.088066 0.291249 O\n0.291248 0.956838 0.088067 O\n0.911934 0.708752 0.043163 O\n0.043162 0.911934 0.708753 O\n0.088066 0.291248 0.956838 O\n0.543162 0.208752 0.411934 O\n0.791248 0.588066 0.456839 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ca",
"Sc",
"Co",
"O"
],
"chemical_system": "Ca-Co-O-Sc",
"density": 4.1421160086633595,
"density_atomic": 0.08571438360594634,
"volume": 256.66637353586214,
"volume_molar": 7.025822862689549,
"formula_full": "Ca6 Sc2 Co2 O12",
"formula_reduced": "Ca3ScCoO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.8259816736363637,
"spacegroup": 167
},
{
"id": "jvasp-117268",
"created_at": "2022-09-04T14:38:47.125318Z",
"updated_at": "2022-09-04T14:38:47.125345Z",
"structure_string": "Ca6 Sc2 Co2 O12\n1.0\n6.348228 0.007231 -0.266467\n-0.278189 6.342134 -0.266467\n0.006913 0.007231 6.353814\nCa Sc Co O\n6 2 2 12\ndirect\n0.380221 0.749999 0.119778 Ca\n0.750000 0.119778 0.380221 Ca\n0.119778 0.380221 0.749999 Ca\n0.880221 0.619778 0.249999 Ca\n0.250000 0.880221 0.619778 Ca\n0.619778 0.250000 0.880220 Ca\n0.250000 0.250000 0.250000 Sc\n0.750000 0.749999 0.749999 Sc\n0.500000 0.500000 0.499999 Co\n0.000000 0.000000 0.000000 Co\n0.791525 0.456830 0.587850 O\n0.543169 0.412148 0.208475 O\n0.412149 0.208475 0.543169 O\n0.456830 0.587851 0.791524 O\n0.043169 0.708475 0.912148 O\n0.087851 0.956830 0.291524 O\n0.956831 0.291524 0.087851 O\n0.708475 0.912148 0.043169 O\n0.912149 0.043169 0.708474 O\n0.291524 0.087851 0.956830 O\n0.208475 0.543169 0.412148 O\n0.587851 0.791524 0.456830 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Sc",
"Co",
"O"
],
"chemical_system": "Ca-Co-O-Sc",
"density": 4.15533099674854,
"density_atomic": 0.08598784638576999,
"volume": 255.85011050632323,
"volume_molar": 7.003478995139242,
"formula_full": "Ca6 Sc2 Co2 O12",
"formula_reduced": "Ca3ScCoO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.8249207645454544,
"spacegroup": 167
},
{
"id": "jvasp-55412",
"created_at": "2022-09-04T14:38:30.069069Z",
"updated_at": "2022-09-04T14:38:30.069091Z",
"structure_string": "Ca6 Mn2 Zn2 O12\n1.0\n6.362175 0.010280 -0.206773\n-0.213936 6.358585 -0.206773\n0.009924 0.010280 6.365526\nCa Mn Zn O\n6 2 2 12\ndirect\n0.250000 0.613478 0.886523 Ca\n0.886523 0.250001 0.613479 Ca\n0.386522 0.113478 0.750001 Ca\n0.750000 0.386521 0.113478 Ca\n0.113478 0.749998 0.386522 Ca\n0.613478 0.886521 0.250001 Ca\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500001 0.500001 Mn\n0.250000 0.250000 0.250001 Zn\n0.749999 0.749999 0.750002 Zn\n0.713051 0.047528 0.917852 O\n0.213049 0.417851 0.547528 O\n0.952473 0.082149 0.286950 O\n0.082148 0.286950 0.952473 O\n0.286950 0.952471 0.082149 O\n0.917852 0.713049 0.047528 O\n0.047526 0.917850 0.713051 O\n0.452471 0.786950 0.582150 O\n0.582149 0.452472 0.786951 O\n0.786949 0.582149 0.452473 O\n0.547528 0.213050 0.417851 O\n0.417850 0.547527 0.213050 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ca",
"Mn",
"Zn",
"O"
],
"chemical_system": "Ca-Mn-O-Zn",
"density": 4.340048329225202,
"density_atomic": 0.08541873668365413,
"volume": 257.554733939421,
"volume_molar": 7.050140278125194,
"formula_full": "Ca6 Mn2 Zn2 O12",
"formula_reduced": "Ca3MnZnO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.4999181728526645,
"spacegroup": 167
},
{
"id": "jvasp-45257",
"created_at": "2022-09-04T14:38:10.792235Z",
"updated_at": "2022-09-04T14:38:10.792260Z",
"structure_string": "Sr6 Cd2 Pt2 O12\n1.0\n6.831430 0.035789 -0.047679\n-0.048262 6.831354 -0.047679\n0.035351 0.035789 6.831505\nSr Cd Pt O\n6 2 2 12\ndirect\n0.750000 0.386512 0.113488 Sr\n0.113488 0.750000 0.386512 Sr\n0.386512 0.113488 0.750000 Sr\n0.886512 0.250000 0.613488 Sr\n0.250000 0.613488 0.886513 Sr\n0.613488 0.886512 0.250000 Sr\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.948161 0.082960 0.285402 O\n0.582960 0.448161 0.785402 O\n0.214599 0.417040 0.551839 O\n0.551839 0.214599 0.417040 O\n0.417040 0.551839 0.214599 O\n0.917040 0.714598 0.051839 O\n0.051839 0.917040 0.714599 O\n0.714598 0.051839 0.917040 O\n0.785402 0.582960 0.448161 O\n0.448161 0.785401 0.582960 O\n0.285402 0.948160 0.082960 O\n0.082960 0.285401 0.948161 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"Cd",
"Pt",
"O"
],
"chemical_system": "Cd-O-Pt-Sr",
"density": 6.940646693866062,
"density_atomic": 0.06899858919388153,
"volume": 318.84709900634977,
"volume_molar": 8.727918686972245,
"formula_full": "Sr6 Cd2 Pt2 O12",
"formula_reduced": "Sr3CdPtO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.2838337345454542,
"spacegroup": 167
},
{
"id": "jvasp-45308",
"created_at": "2022-09-04T14:38:28.962715Z",
"updated_at": "2022-09-04T14:38:28.962744Z",
"structure_string": "Ag2 Hg6 Sb2 O12\n1.0\n7.035411 -0.014655 0.303364\n0.289933 7.029450 0.303364\n-0.015303 -0.014655 7.041931\nAg Hg Sb O\n2 6 2 12\ndirect\n0.750000 0.749999 0.749999 Ag\n0.250000 0.250000 0.250000 Ag\n0.908864 0.249999 0.591135 Hg\n0.591136 0.908863 0.249999 Hg\n0.250000 0.591135 0.908863 Hg\n0.408864 0.091135 0.750000 Hg\n0.750000 0.408863 0.091136 Hg\n0.091136 0.750000 0.408863 Hg\n0.500000 0.499999 0.499999 Sb\n0.000000 0.000000 0.000000 Sb\n0.004745 0.288255 0.991581 O\n0.788255 0.504744 0.491580 O\n0.508419 0.211744 0.495254 O\n0.495255 0.508418 0.211744 O\n0.211745 0.495254 0.508418 O\n0.711745 0.008418 0.995254 O\n0.995254 0.711744 0.008418 O\n0.008419 0.995254 0.711744 O\n0.491581 0.788255 0.504744 O\n0.504745 0.491580 0.788255 O\n0.991581 0.004744 0.288255 O\n0.288255 0.991581 0.004744 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Hg",
"Sb",
"O"
],
"chemical_system": "Ag-Hg-O-Sb",
"density": 8.841492763747794,
"density_atomic": 0.06315454647593588,
"volume": 348.3518009013457,
"volume_molar": 9.535561722851812,
"formula_full": "Ag2 Hg6 Sb2 O12",
"formula_reduced": "AgHg3SbO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.1242361963636365,
"spacegroup": 167
},
{
"id": "jvasp-55397",
"created_at": "2022-09-04T14:38:28.760728Z",
"updated_at": "2022-09-04T14:38:28.760754Z",
"structure_string": "Sr6 Ni2 Pt2 O12\n1.0\n6.707250 0.026011 -0.182319\n-0.188048 6.704664 -0.182319\n0.025193 0.026011 6.709681\nSr Ni Pt O\n6 2 2 12\ndirect\n0.886016 0.250000 0.613983 Sr\n0.386016 0.113983 0.750000 Sr\n0.750000 0.386016 0.113983 Sr\n0.113983 0.749999 0.386017 Sr\n0.613983 0.886016 0.250000 Sr\n0.249999 0.613983 0.886017 Sr\n0.749999 0.749999 0.750000 Ni\n0.250000 0.250000 0.250000 Ni\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.091155 0.288157 0.963451 O\n0.788157 0.591155 0.463451 O\n0.536548 0.211842 0.408845 O\n0.408844 0.536548 0.211842 O\n0.211842 0.408844 0.536548 O\n0.711842 0.036548 0.908845 O\n0.908844 0.711842 0.036548 O\n0.036548 0.908844 0.711842 O\n0.463451 0.788157 0.591155 O\n0.591155 0.463451 0.788157 O\n0.963451 0.091155 0.288157 O\n0.288157 0.963451 0.091155 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Pt",
"O"
],
"chemical_system": "Ni-O-Pt-Sr",
"density": 6.740905321093462,
"density_atomic": 0.07288881021294469,
"volume": 301.82959408621144,
"volume_molar": 8.26209227782195,
"formula_full": "Sr6 Ni2 Pt2 O12",
"formula_reduced": "Sr3NiPtO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.6180048845454544,
"spacegroup": 167
},
{
"id": "jvasp-26736",
"created_at": "2022-09-04T14:38:28.964422Z",
"updated_at": "2022-09-04T14:38:28.964460Z",
"structure_string": "Na2 Sr6 Bi2 O12\n1.0\n7.007306 -0.008358 -0.163340\n-0.166997 7.005322 -0.163340\n-0.008171 -0.008358 7.009206\nNa Sr Bi O\n2 6 2 12\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.749999 0.750000 Na\n0.750000 0.398919 0.101080 Sr\n0.898920 0.250000 0.601081 Sr\n0.101080 0.750000 0.398920 Sr\n0.250000 0.601080 0.898920 Sr\n0.398920 0.101080 0.750000 Sr\n0.601080 0.898919 0.250000 Sr\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.445515 0.793564 0.573112 O\n0.926888 0.706435 0.054485 O\n0.293564 0.945514 0.073112 O\n0.945515 0.073111 0.293565 O\n0.426888 0.554485 0.206436 O\n0.573112 0.445514 0.793565 O\n0.073112 0.293564 0.945515 O\n0.206436 0.426888 0.554486 O\n0.793565 0.573111 0.445515 O\n0.054485 0.926888 0.706436 O\n0.554486 0.206435 0.426888 O\n0.706436 0.054485 0.926889 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Sr",
"Bi",
"O"
],
"chemical_system": "Bi-Na-O-Sr",
"density": 5.703318548206379,
"density_atomic": 0.06394567845037259,
"volume": 344.0420139896383,
"volume_molar": 9.41758834363405,
"formula_full": "Na2 Sr6 Bi2 O12",
"formula_reduced": "NaSr3BiO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.2124402936363634,
"spacegroup": 167
},
{
"id": "jvasp-24990",
"created_at": "2022-09-04T14:37:43.024220Z",
"updated_at": "2022-09-04T14:37:43.024247Z",
"structure_string": "Sr2 Li2 B6 S12\n1.0\n7.142332 0.039644 3.081928\n1.868619 7.309193 4.278039\n0.012839 0.000381 8.672802\nSr Li B S\n2 2 6 12\ndirect\n0.974407 0.137810 0.380924 Sr\n0.474407 0.380923 0.137811 Sr\n0.936572 0.489188 0.705990 Li\n0.436572 0.705989 0.489189 Li\n0.943400 0.014105 0.026579 B\n0.041942 0.758489 0.839157 B\n0.541942 0.839156 0.758489 B\n0.023163 0.604587 0.248433 B\n0.443400 0.026578 0.014106 B\n0.523163 0.248433 0.604587 B\n0.436439 0.253671 0.829846 S\n0.936439 0.829845 0.253673 S\n0.076276 0.731811 0.637709 S\n0.087594 0.403698 0.441286 S\n0.563478 0.052639 0.555141 S\n0.587594 0.441286 0.403698 S\n0.063478 0.555141 0.052640 S\n0.576276 0.637709 0.731811 S\n0.992843 0.992310 0.813490 S\n0.492843 0.813489 0.992311 S\n0.405377 0.017022 0.236252 S\n0.905377 0.236252 0.017023 S\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"Li",
"B",
"S"
],
"chemical_system": "B-Li-S-Sr",
"density": 2.347604621830689,
"density_atomic": 0.04869175047909192,
"volume": 451.8219161056189,
"volume_molar": 12.36788716927704,
"formula_full": "Sr2 Li2 B6 S12",
"formula_reduced": "SrLi(BS2)3",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 2.650552187272728,
"spacegroup": 9
},
{
"id": "jvasp-22143",
"created_at": "2022-09-04T14:37:44.729725Z",
"updated_at": "2022-09-04T14:37:44.729750Z",
"structure_string": "Sr6 Cd2 Ir2 O12\n1.0\n6.827001 0.049024 -0.037624\n-0.038100 6.827070 -0.037624\n0.048402 0.049024 6.826933\nSr Cd Ir O\n6 2 2 12\ndirect\n0.750000 0.387477 0.112523 Sr\n0.387477 0.112522 0.750000 Sr\n0.612523 0.887477 0.250001 Sr\n0.112523 0.750000 0.387478 Sr\n0.250000 0.612522 0.887477 Sr\n0.887477 0.249999 0.612523 Sr\n0.250000 0.250000 0.250000 Cd\n0.750000 0.749999 0.750001 Cd\n0.500000 0.499999 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.084105 0.283928 0.947885 O\n0.783928 0.584104 0.447886 O\n0.552115 0.216071 0.415895 O\n0.415895 0.552115 0.216072 O\n0.216072 0.415894 0.552115 O\n0.716071 0.052114 0.915895 O\n0.915895 0.716071 0.052116 O\n0.052115 0.915894 0.716072 O\n0.447885 0.783928 0.584106 O\n0.584105 0.447884 0.783929 O\n0.947885 0.084104 0.283929 O\n0.283928 0.947885 0.084106 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"Cd",
"Ir",
"O"
],
"chemical_system": "Cd-Ir-O-Sr",
"density": 6.9241794563212355,
"density_atomic": 0.06913232878220572,
"volume": 318.23027500359103,
"volume_molar": 8.711034137114249,
"formula_full": "Sr6 Cd2 Ir2 O12",
"formula_reduced": "Sr3CdIrO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.5032255254545452,
"spacegroup": 167
},
{
"id": "jvasp-25848",
"created_at": "2022-09-04T14:37:53.390342Z",
"updated_at": "2022-09-04T14:37:53.390365Z",
"structure_string": "Ba6 Na2 Bi2 O12\n1.0\n7.319448 -0.007560 -0.236069\n-0.243561 7.315398 -0.236069\n-0.007320 -0.007560 7.323250\nBa Na Bi O\n6 2 2 12\ndirect\n0.897637 0.250000 0.602363 Ba\n0.102364 0.750000 0.397636 Ba\n0.602364 0.897637 0.250000 Ba\n0.750000 0.397637 0.102363 Ba\n0.397637 0.102363 0.750000 Ba\n0.250000 0.602364 0.897636 Ba\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.417700 0.551592 0.218868 O\n0.551592 0.218868 0.417700 O\n0.281133 0.948408 0.082300 O\n0.082300 0.281132 0.948408 O\n0.781133 0.582300 0.448408 O\n0.917700 0.718868 0.051592 O\n0.051592 0.917700 0.718868 O\n0.948408 0.082300 0.281132 O\n0.718868 0.051592 0.917700 O\n0.218868 0.417700 0.551592 O\n0.582300 0.448408 0.781132 O\n0.448408 0.781133 0.582300 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ba",
"Na",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Na-O",
"density": 6.26763638689469,
"density_atomic": 0.056110796423810505,
"volume": 392.0814068264471,
"volume_molar": 10.732588278580407,
"formula_full": "Ba6 Na2 Bi2 O12",
"formula_reduced": "Ba3NaBiO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.3245502009090906,
"spacegroup": 167
}
]
}