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_anonymous&page=567",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=565",
"results": [
{
"id": "jvasp-17656",
"created_at": "2022-09-04T14:38:28.161207Z",
"updated_at": "2022-09-04T14:38:28.161217Z",
"structure_string": "Ca3 Pb1 O1\n1.0\n4.830304 0.000000 0.000000\n0.000000 4.830304 0.000000\n-0.000000 0.000000 4.830304\nCa Pb O\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Pb",
"O"
],
"chemical_system": "Ca-O-Pb",
"density": 5.0602064256064,
"density_atomic": 0.04436562573731781,
"volume": 112.69986429593594,
"volume_molar": 13.57388892846049,
"formula_full": "Ca3 Pb1 O1",
"formula_reduced": "Ca3PbO",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-36986",
"created_at": "2022-09-04T14:38:07.124998Z",
"updated_at": "2022-09-04T14:38:07.125011Z",
"structure_string": "Tl2 Ge2 Cl6\n1.0\n0.000000 5.723479 -0.339915\n6.940941 0.000000 0.000000\n0.000000 -2.352377 -7.111246\nTl Ge Cl\n2 2 6\ndirect\n0.674901 0.250000 0.791656 Tl\n0.325098 0.750000 0.208344 Tl\n0.924043 0.250000 0.387872 Ge\n0.075956 0.750000 0.612128 Ge\n0.803469 -0.001848 0.172532 Cl\n0.196530 0.498152 0.827468 Cl\n0.672684 0.750000 0.638677 Cl\n0.327316 0.250000 0.361323 Cl\n0.196530 0.001848 0.827468 Cl\n0.803469 0.501848 0.172532 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tl",
"Ge",
"Cl"
],
"chemical_system": "Cl-Ge-Tl",
"density": 4.420156379923384,
"density_atomic": 0.03471574445443824,
"volume": 288.05373922268143,
"volume_molar": 17.347001640433206,
"formula_full": "Tl2 Ge2 Cl6",
"formula_reduced": "TlGeCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 11
},
{
"id": "jvasp-32274",
"created_at": "2022-09-04T14:38:08.041622Z",
"updated_at": "2022-09-04T14:38:08.041642Z",
"structure_string": "Si4 H12 F4\n1.0\n4.554155 0.000000 -0.504509\n0.000000 7.407990 0.000000\n0.014472 0.000000 7.527954\nSi H F\n4 12 4\ndirect\n0.697758 0.732197 0.590814 Si\n0.802243 0.232197 0.909186 Si\n0.302243 0.267803 0.409186 Si\n0.197757 0.767803 0.090814 Si\n0.010797 0.221850 0.771548 H\n0.489203 0.721850 0.728452 H\n0.451878 0.892318 0.122250 H\n0.048122 0.392318 0.377750 H\n0.548122 0.107682 0.877750 H\n0.951879 0.607682 0.622249 H\n0.286443 0.578924 0.054907 H\n0.713557 0.421076 0.945093 H\n0.510798 0.278150 0.271548 H\n0.786443 0.921076 0.554907 H\n0.213557 0.078924 0.445093 H\n-0.010798 0.778150 0.228452 H\n0.009960 0.835800 0.902421 F\n0.490040 0.335800 0.597578 F\n0.990041 0.164200 0.097578 F\n0.509961 0.664200 0.402422 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Si",
"H",
"F"
],
"chemical_system": "F-H-Si",
"density": 1.3101955682328899,
"density_atomic": 0.0787321956962647,
"volume": 254.02568572019212,
"volume_molar": 7.648892180312596,
"formula_full": "Si4 H12 F4",
"formula_reduced": "SiH3F",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.1225977765,
"spacegroup": 14
},
{
"id": "jvasp-41404",
"created_at": "2022-09-04T14:38:14.774078Z",
"updated_at": "2022-09-04T14:38:14.774099Z",
"structure_string": "Yb1 Ti1 O3\n1.0\n3.837636 -0.000000 0.000000\n0.000000 3.837636 0.000000\n-0.000000 0.000000 3.837636\nYb Ti O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500001 0.500001 0.500001 Ti\n0.500001 0.500001 0.000000 O\n0.500001 0.000000 0.500001 O\n0.000000 0.500001 0.500001 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Ti",
"O"
],
"chemical_system": "O-Ti-Yb",
"density": 7.9005433344868266,
"density_atomic": 0.0884664633804059,
"volume": 56.51859257106271,
"volume_molar": 6.8072584004006,
"formula_full": "Yb1 Ti1 O3",
"formula_reduced": "YbTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4886899066666666,
"spacegroup": 221
},
{
"id": "jvasp-20955",
"created_at": "2022-09-04T14:38:07.150320Z",
"updated_at": "2022-09-04T14:38:07.150348Z",
"structure_string": "Ca8 Ti8 O24\n1.0\n0.000000 7.692849 0.002511\n7.666889 0.000000 0.000000\n0.000000 -0.142989 -7.691546\nCa Ti O\n8 8 24\ndirect\n0.723131 0.250000 0.767503 Ca\n0.276869 0.750000 0.232497 Ca\n0.232499 0.250000 0.776867 Ca\n0.767501 0.750000 0.223133 Ca\n0.732498 0.250000 0.276871 Ca\n0.267502 0.750000 0.723130 Ca\n0.223131 0.250000 0.267502 Ca\n0.776869 0.750000 0.732499 Ca\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n-0.000000 0.500000 0.500000 Ti\n-0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.541643 0.958251 0.250423 O\n0.250419 0.041749 0.041641 O\n0.749581 0.541749 0.958360 O\n0.549832 0.250000 0.029742 O\n0.450168 0.750000 0.970258 O\n0.970259 0.250000 0.950170 O\n0.029741 0.750000 0.049830 O\n0.541643 0.541750 0.250423 O\n0.458357 0.041750 0.749578 O\n0.458357 0.458251 0.749578 O\n0.750423 0.458251 0.541641 O\n0.950169 0.750000 0.470260 O\n0.249577 0.541750 0.458359 O\n0.750423 0.041749 0.541641 O\n0.958357 0.458251 0.249577 O\n0.041642 0.958252 0.750424 O\n0.041642 0.541749 0.750424 O\n0.958357 0.041749 0.249577 O\n0.250419 0.458251 0.041641 O\n0.049831 0.250000 0.529741 O\n0.529743 0.750000 0.549831 O\n0.470257 0.250000 0.450169 O\n0.249577 0.958251 0.458359 O\n0.749581 0.958251 0.958360 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"O"
],
"chemical_system": "Ca-O-Ti",
"density": 3.980880887125402,
"density_atomic": 0.0881744179162604,
"volume": 453.6463176653818,
"volume_molar": 6.82980495059151,
"formula_full": "Ca8 Ti8 O24",
"formula_reduced": "CaTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5786858506666666,
"spacegroup": 62
},
{
"id": "jvasp-109908",
"created_at": "2022-09-04T14:38:07.165001Z",
"updated_at": "2022-09-04T14:38:07.165023Z",
"structure_string": "Li2 Mn2 F6\n1.0\n4.993537 -0.004078 0.000000\n-4.101838 2.847868 0.000000\n-0.000000 -0.000000 7.058335\nLi Mn F\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.747886 0.252114 0.250000 Mn\n0.252114 0.747886 0.749999 Mn\n0.642086 0.357914 0.567610 F\n0.911275 0.088725 0.749999 F\n0.642086 0.357914 0.932389 F\n0.357914 0.642087 0.432389 F\n0.357914 0.642087 0.067610 F\n0.088726 0.911275 0.250000 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.9377454859787635,
"density_atomic": 0.09974261324122596,
"volume": 100.25805094774442,
"volume_molar": 6.037680951305683,
"formula_full": "Li2 Mn2 F6",
"formula_reduced": "LiMnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.4177316177758621,
"spacegroup": 63
},
{
"id": "jvasp-38141",
"created_at": "2022-09-04T14:38:07.735710Z",
"updated_at": "2022-09-04T14:38:07.735720Z",
"structure_string": "Y2 W2 N6\n1.0\n0.875117 3.348486 0.000000\n0.000000 -0.000000 6.048676\n6.818804 0.006523 -0.000000\nY W N\n2 2 6\ndirect\n0.314614 0.250000 0.370772 Y\n0.685387 0.750001 0.629228 Y\n0.930126 0.750001 0.139750 W\n0.069874 0.250000 0.860250 W\n0.840127 0.982589 0.319748 N\n0.159873 0.482589 0.680252 N\n0.498161 0.750001 0.003680 N\n0.159873 0.017412 0.680252 N\n0.840127 0.517412 0.319748 N\n0.501840 0.250000 0.996320 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"W",
"N"
],
"chemical_system": "N-W-Y",
"density": 7.571090090164721,
"density_atomic": 0.07242551210728068,
"volume": 138.0728932256281,
"volume_molar": 8.314943981451828,
"formula_full": "Y2 W2 N6",
"formula_reduced": "YWN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 5.36016904,
"spacegroup": 63
},
{
"id": "jvasp-53363",
"created_at": "2022-09-04T14:38:06.109445Z",
"updated_at": "2022-09-04T14:38:06.109476Z",
"structure_string": "K6 Cl2 O2\n1.0\n5.257729 0.000000 0.000000\n0.000000 7.091767 7.091767\n0.000000 0.000128 7.091639\nK Cl O\n6 2 2\ndirect\n0.000000 0.177565 0.500000 K\n0.000000 0.677418 0.130710 K\n0.000000 0.308127 0.869290 K\n0.500000 0.492810 -0.000062 K\n0.500000 0.992748 0.000062 K\n0.000000 0.808328 0.500000 K\n0.500000 0.492307 0.500000 Cl\n0.500000 -0.007175 0.500000 Cl\n0.000000 0.992719 0.000140 O\n0.000000 0.492858 0.999860 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Cl",
"O"
],
"chemical_system": "Cl-K-O",
"density": 2.119456410420573,
"density_atomic": 0.037818871302378966,
"volume": 264.41825616754875,
"volume_molar": 15.923639581547167,
"formula_full": "K6 Cl2 O2",
"formula_reduced": "K3ClO",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 127
},
{
"id": "jvasp-106985",
"created_at": "2022-09-04T14:38:04.182468Z",
"updated_at": "2022-09-04T14:38:04.182504Z",
"structure_string": "Yb1 Tc1 O3\n1.0\n3.869241 -0.000000 0.000000\n0.000000 3.869241 0.000000\n-0.000000 -0.000000 3.869241\nYb Tc O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Tc\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Tc",
"O"
],
"chemical_system": "O-Tc-Yb",
"density": 9.145647125191553,
"density_atomic": 0.08631626925588551,
"volume": 57.926507286563165,
"volume_molar": 6.976831612296981,
"formula_full": "Yb1 Tc1 O3",
"formula_reduced": "YbTcO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.05482454,
"spacegroup": 221
},
{
"id": "jvasp-22902",
"created_at": "2022-09-04T14:38:28.191402Z",
"updated_at": "2022-09-04T14:38:28.191422Z",
"structure_string": "Tm3 Ga9 Ru3\n1.0\n6.374977 0.000000 -0.000000\n-0.000000 6.374977 0.000000\n0.000000 -0.000000 6.374977\nTm Ga Ru\n3 9 3\ndirect\n0.000000 0.500000 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n0.500000 0.000000 0.500000 Tm\n0.500000 0.500000 0.500000 Ga\n0.212873 0.212873 0.212873 Ga\n0.212873 0.787127 0.212873 Ga\n0.212873 0.212873 0.787127 Ga\n0.787127 0.212873 0.212873 Ga\n0.787127 0.787127 0.212873 Ga\n0.212873 0.787127 0.787127 Ga\n0.787127 0.212873 0.787127 Ga\n0.787127 0.787127 0.787127 Ga\n0.500000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.500000 0.000000 Ru\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Tm",
"Ga",
"Ru"
],
"chemical_system": "Ga-Ru-Tm",
"density": 9.213550374220864,
"density_atomic": 0.05789691088122732,
"volume": 259.0811801819922,
"volume_molar": 10.40148890215253,
"formula_full": "Tm3 Ga9 Ru3",
"formula_reduced": "TmGa3Ru",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.8550823449999998,
"spacegroup": 221
},
{
"id": "jvasp-108048",
"created_at": "2022-09-04T14:38:06.331041Z",
"updated_at": "2022-09-04T14:38:06.331067Z",
"structure_string": "Yb2 B2 O6\n1.0\n3.874985 0.270177 0.000000\n-1.535203 3.568145 0.000000\n0.000000 0.000000 8.510992\nYb B O\n2 2 6\ndirect\n0.915885 0.915885 0.500000 Yb\n0.915885 0.915885 -0.000000 Yb\n0.511092 0.227556 0.250000 B\n0.227555 0.511092 0.750000 B\n0.675219 0.340176 0.392289 O\n0.340176 0.675219 0.607711 O\n0.340176 0.675219 0.892289 O\n0.675219 0.340176 0.107711 O\n0.170550 -0.025031 0.250000 O\n-0.025032 0.170550 0.750000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Yb",
"B",
"O"
],
"chemical_system": "B-O-Yb",
"density": 6.352655990663404,
"density_atomic": 0.08250317143395994,
"volume": 121.20746180047816,
"volume_molar": 7.299283961248025,
"formula_full": "Yb2 B2 O6",
"formula_reduced": "YbBO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.7865167566666666,
"spacegroup": 40
},
{
"id": "jvasp-18139",
"created_at": "2022-09-04T14:38:15.208119Z",
"updated_at": "2022-09-04T14:38:15.208144Z",
"structure_string": "Nd3 Al1 N1\n1.0\n5.505712 0.000000 0.000000\n0.000000 5.505712 0.000000\n-0.000000 0.000000 5.505712\nNd Al N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Nd\n0.500000 0.000000 0.500000 Nd\n0.500000 0.500000 0.000000 Nd\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Al",
"N"
],
"chemical_system": "Al-N-Nd",
"density": 4.713299813060211,
"density_atomic": 0.029959153235529567,
"volume": 166.8939025309411,
"volume_molar": 20.10117146054095,
"formula_full": "Nd3 Al1 N1",
"formula_reduced": "Nd3AlN",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.72759411,
"spacegroup": 221
}
]
}