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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=1117",
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"results": [
{
"id": "jvasp-17620",
"created_at": "2022-09-04T14:38:13.666954Z",
"updated_at": "2022-09-04T14:38:13.666974Z",
"structure_string": "Np1 Si2 Au2\n1.0\n3.983663 0.000000 -1.528881\n-0.586765 3.940213 -1.528881\n0.011626 0.013485 5.984663\nNp Si Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.611378 0.611379 0.222759 Si\n0.388621 0.388621 0.777241 Si\n0.750000 0.250000 0.500000 Au\n0.249999 0.750000 0.500000 Au\n",
"nsites": 5,
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"elements": [
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"Si",
"Au"
],
"chemical_system": "Au-Np-Si",
"density": 12.124697305057119,
"density_atomic": 0.053133600738611494,
"volume": 94.10241223058247,
"volume_molar": 11.333959446162265,
"formula_full": "Np1 Si2 Au2",
"formula_reduced": "Np(SiAu)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-18212",
"created_at": "2022-09-04T14:38:13.479861Z",
"updated_at": "2022-09-04T14:38:13.479895Z",
"structure_string": "Nd1 Ge2 Ru2\n1.0\n4.000281 -0.000000 -1.569911\n-0.616112 3.952550 -1.569911\n-0.001148 -0.001342 5.878575\nNd Ge Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.632618 0.632618 0.265235 Ge\n0.367382 0.367383 0.734765 Ge\n0.750000 0.250000 0.500000 Ru\n0.250000 0.750000 0.500000 Ru\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Ge",
"Ru"
],
"chemical_system": "Ge-Nd-Ru",
"density": 8.785258418355493,
"density_atomic": 0.05380328643112032,
"volume": 92.93112617574144,
"volume_molar": 11.192886456312708,
"formula_full": "Nd1 Ge2 Ru2",
"formula_reduced": "Nd(GeRu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.48111088,
"spacegroup": 139
},
{
"id": "jvasp-17744",
"created_at": "2022-09-04T14:38:14.250281Z",
"updated_at": "2022-09-04T14:38:14.250304Z",
"structure_string": "Pr1 Mn2 Ge2\n1.0\n3.787870 0.000000 -1.338345\n-0.472870 3.758238 -1.338345\n0.066772 0.075699 6.218488\nPr Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.250000 0.750001 0.500000 Mn\n0.750000 0.250000 0.499999 Mn\n0.625466 0.625467 0.250932 Ge\n0.374533 0.374534 0.749067 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Pr",
"density": 7.36547759432835,
"density_atomic": 0.05599596526180353,
"volume": 89.2921476864092,
"volume_molar": 10.75459764260529,
"formula_full": "Pr1 Mn2 Ge2",
"formula_reduced": "Pr(MnGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.422125246551724,
"spacegroup": 139
},
{
"id": "jvasp-18148",
"created_at": "2022-09-04T14:38:13.456907Z",
"updated_at": "2022-09-04T14:38:13.456923Z",
"structure_string": "Dy1 Cu2 Ge2\n1.0\n3.810040 -0.000000 -1.390171\n-0.507232 3.776125 -1.390171\n0.000181 0.000208 5.916668\nDy Cu Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.250000 0.749999 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.618981 0.618980 0.237961 Ge\n0.381019 0.381019 0.762039 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Dy",
"Cu",
"Ge"
],
"chemical_system": "Cu-Dy-Ge",
"density": 8.482936750298508,
"density_atomic": 0.058736178905664925,
"volume": 85.126409193734,
"volume_molar": 10.252864371160484,
"formula_full": "Dy1 Cu2 Ge2",
"formula_reduced": "Dy(CuGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.3633458599999998,
"spacegroup": 139
},
{
"id": "jvasp-17516",
"created_at": "2022-09-04T14:38:13.453683Z",
"updated_at": "2022-09-04T14:38:13.453708Z",
"structure_string": "Ca1 Mn2 Ge2\n1.0\n3.749777 -0.000000 -1.340478\n-0.479197 3.719032 -1.340478\n0.091313 0.103833 6.170377\nCa Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.249999 0.500000 Mn\n0.249999 0.749999 0.500000 Mn\n0.375866 0.375866 0.751734 Ge\n0.624133 0.624133 0.248266 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"Ge"
],
"chemical_system": "Ca-Ge-Mn",
"density": 5.629009259956019,
"density_atomic": 0.05740984402328545,
"volume": 87.09307759087446,
"volume_molar": 10.489735449476955,
"formula_full": "Ca1 Mn2 Ge2",
"formula_reduced": "Ca(MnGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.985817360551724,
"spacegroup": 139
},
{
"id": "jvasp-18009",
"created_at": "2022-09-04T14:38:14.229182Z",
"updated_at": "2022-09-04T14:38:14.229203Z",
"structure_string": "Pr1 Fe2 Ge2\n1.0\n3.856576 -0.000000 -1.404032\n-0.511154 3.822552 -1.404032\n-0.060975 -0.069671 5.831127\nPr Fe Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.750002 0.250000 0.500001 Fe\n0.250002 0.750000 0.500001 Fe\n0.638487 0.638485 0.276969 Ge\n0.361517 0.361515 0.723033 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Fe",
"Ge"
],
"chemical_system": "Fe-Ge-Pr",
"density": 7.753888389079369,
"density_atomic": 0.05868010848624244,
"volume": 85.20774976365715,
"volume_molar": 10.262661258392002,
"formula_full": "Pr1 Fe2 Ge2",
"formula_reduced": "Pr(FeGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.07080855,
"spacegroup": 139
},
{
"id": "jvasp-12216",
"created_at": "2022-09-04T14:38:10.940221Z",
"updated_at": "2022-09-04T14:38:10.940241Z",
"structure_string": "Li4 Ni2 O4\n1.0\n3.123546 -0.000000 0.000000\n-1.561773 2.705070 -0.000000\n-0.000000 -0.000000 9.942119\nLi Ni O\n4 2 4\ndirect\n0.666666 0.333332 0.176901 Li\n0.333335 0.666667 0.823099 Li\n0.333335 0.666667 0.323100 Li\n0.666666 0.333332 0.676901 Li\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.333335 0.666667 0.617603 O\n0.666666 0.333332 0.882397 O\n0.333335 0.666667 0.117603 O\n0.666666 0.333332 0.382397 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 4.13426463925559,
"density_atomic": 0.11904046889812063,
"volume": 84.00504544852205,
"volume_molar": 5.058902082411972,
"formula_full": "Li4 Ni2 O4",
"formula_reduced": "Li2NiO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.2402318799999996,
"spacegroup": 164
},
{
"id": "jvasp-30438",
"created_at": "2022-09-04T14:38:05.288454Z",
"updated_at": "2022-09-04T14:38:05.288479Z",
"structure_string": "Sb4 S4 O2\n1.0\n4.080254 0.003675 -0.006750\n-2.050369 10.529085 -0.031492\n-2.029458 -1.717796 5.240102\nSb S O\n4 4 2\ndirect\n0.333452 0.634138 0.030849 Sb\n0.671928 0.366081 0.975952 Sb\n0.268718 0.881874 0.654052 Sb\n0.736667 0.118343 0.352748 Sb\n0.072361 0.913934 0.228952 S\n0.933021 0.086284 0.777851 S\n0.607881 0.699604 0.514395 S\n0.397501 0.300615 0.492405 S\n0.817280 0.570506 0.062189 O\n0.188098 0.429710 0.944613 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sb",
"S",
"O"
],
"chemical_system": "O-S-Sb",
"density": 4.78200650797505,
"density_atomic": 0.04448937077623774,
"volume": 224.77279011869302,
"volume_molar": 13.536133811127065,
"formula_full": "Sb4 S4 O2",
"formula_reduced": "Sb2S2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.86647714,
"spacegroup": 12
},
{
"id": "jvasp-17977",
"created_at": "2022-09-04T14:38:13.879636Z",
"updated_at": "2022-09-04T14:38:13.879660Z",
"structure_string": "Np1 Co2 Si2\n1.0\n3.610058 -0.000000 -1.336046\n-0.494458 3.576035 -1.336046\n-0.003373 -0.003871 5.536178\nNp Co Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.250000 0.750001 0.500000 Co\n0.750001 0.250001 0.500000 Co\n0.622777 0.622778 0.245553 Si\n0.377224 0.377224 0.754447 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Np",
"Co",
"Si"
],
"chemical_system": "Co-Np-Si",
"density": 9.55501601369784,
"density_atomic": 0.06999564129485597,
"volume": 71.4330193638422,
"volume_molar": 8.603593950417268,
"formula_full": "Np1 Co2 Si2",
"formula_reduced": "Np(CoSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.1691698,
"spacegroup": 139
},
{
"id": "jvasp-107780",
"created_at": "2022-09-04T14:38:14.529326Z",
"updated_at": "2022-09-04T14:38:14.529350Z",
"structure_string": "Li2 Cu1 O2\n1.0\n3.413523 -0.017908 0.728789\n2.236942 2.578479 0.728789\n-0.017502 -0.007931 5.271903\nLi Cu O\n2 1 2\ndirect\n0.827719 0.827720 0.645148 Li\n0.172280 0.172280 0.354852 Li\n0.499999 0.500000 0.000000 Cu\n0.892742 0.892742 0.258517 O\n0.107257 0.107257 0.741483 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Cu",
"O"
],
"chemical_system": "Cu-Li-O",
"density": 3.8948888871181544,
"density_atomic": 0.10717470094570535,
"volume": 46.65280104241203,
"volume_molar": 5.6189946945136,
"formula_full": "Li2 Cu1 O2",
"formula_reduced": "Li2CuO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.9219674899999998,
"spacegroup": 12
},
{
"id": "jvasp-106305",
"created_at": "2022-09-04T14:38:13.945417Z",
"updated_at": "2022-09-04T14:38:13.945442Z",
"structure_string": "Tm1 Mn2 Si2\n1.0\n3.643609 -0.007453 -4.538595\n-0.456562 3.614899 -4.538595\n0.006584 0.007453 5.820197\nTm Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.750000 0.250000 0.500001 Mn\n0.250000 0.750000 0.500001 Mn\n0.380765 0.380765 0.000001 Si\n0.619236 0.619236 0.000002 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Mn",
"Si"
],
"chemical_system": "Mn-Si-Tm",
"density": 7.234677690535509,
"density_atomic": 0.06503086503738092,
"volume": 76.88656758795857,
"volume_molar": 9.260434651358803,
"formula_full": "Tm1 Mn2 Si2",
"formula_reduced": "Tm(MnSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.3142251865517234,
"spacegroup": 139
},
{
"id": "jvasp-108909",
"created_at": "2022-09-04T14:38:10.765831Z",
"updated_at": "2022-09-04T14:38:10.765849Z",
"structure_string": "Tb4 Cd2 Cu4\n1.0\n7.538362 0.000000 0.000000\n0.000000 7.538362 0.000000\n-0.000000 -0.000000 3.692062\nTb Cd Cu\n4 2 4\ndirect\n0.674142 0.174142 0.500000 Tb\n0.325857 0.825857 0.500000 Tb\n0.174142 0.325857 0.500000 Tb\n0.825857 0.674142 0.500000 Tb\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 -0.000000 Cd\n0.120123 0.620123 -0.000000 Cu\n0.879877 0.379877 -0.000000 Cu\n0.620123 0.879877 -0.000000 Cu\n0.379877 0.120123 -0.000000 Cu\n",
"nsites": 10,
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],
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"density": 8.822405566983427,
"density_atomic": 0.04766252398121904,
"volume": 209.80844413402033,
"volume_molar": 12.634959832116667,
"formula_full": "Tb4 Cd2 Cu4",
"formula_reduced": "Tb2CdCu2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 127
}
]
}