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=-updated_at&page=1225",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=1223",
"results": [
{
"id": "jvasp-21255",
"created_at": "2022-09-04T14:38:08.067411Z",
"updated_at": "2022-09-04T14:38:08.067435Z",
"structure_string": "Ca4 Ga8 O16\n1.0\n3.021634 -0.000000 0.000000\n0.000000 9.193529 0.000000\n0.000000 0.000000 10.658604\nCa Ga O\n4 8 16\ndirect\n0.749999 0.757419 0.654541 Ca\n0.250000 0.242581 0.345459 Ca\n0.749999 0.257419 0.845459 Ca\n0.250000 0.742581 0.154541 Ca\n0.250000 0.082382 0.604362 Ga\n0.749999 0.917618 0.395638 Ga\n0.749999 0.417618 0.104362 Ga\n0.250000 0.582382 0.895638 Ga\n0.250000 0.564869 0.388360 Ga\n0.749999 0.935131 0.888359 Ga\n0.250000 0.064869 0.111640 Ga\n0.749999 0.435131 0.611640 Ga\n0.250000 0.381870 0.977191 O\n0.250000 0.795633 0.837657 O\n0.749999 0.204367 0.162343 O\n0.749999 0.118130 0.477191 O\n0.250000 0.881870 0.522808 O\n0.749999 0.618130 0.022808 O\n0.749999 0.527037 0.783417 O\n0.749999 0.917290 0.072173 O\n0.749999 0.027037 0.716582 O\n0.250000 0.972963 0.283417 O\n0.749999 0.417290 0.427827 O\n0.250000 0.582710 0.572172 O\n0.749999 0.704367 0.337657 O\n0.250000 0.082710 0.927827 O\n0.250000 0.472963 0.216583 O\n0.250000 0.295633 0.662343 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"O"
],
"chemical_system": "Ca-Ga-O",
"density": 5.4628860442936995,
"density_atomic": 0.09456568989429123,
"volume": 296.0904745822651,
"volume_molar": 6.368208984391438,
"formula_full": "Ca4 Ga8 O16",
"formula_reduced": "Ca(GaO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.0123041528571428,
"spacegroup": 62
},
{
"id": "jvasp-44224",
"created_at": "2022-09-04T14:38:08.066788Z",
"updated_at": "2022-09-04T14:38:08.066810Z",
"structure_string": "Cr4 O12\n1.0\n5.101324 0.000000 0.000000\n0.000000 5.654633 0.000000\n0.000000 0.000000 7.940245\nCr O\n4 12\ndirect\n0.561032 0.262295 0.311287 Cr\n0.061032 0.237705 0.811288 Cr\n0.938967 0.762295 0.311287 Cr\n0.438967 0.737705 0.811288 Cr\n0.879894 0.202454 0.649961 O\n0.311101 0.028451 0.811287 O\n0.379895 0.297546 0.472614 O\n0.879894 0.202453 0.972614 O\n0.811101 0.471548 0.311287 O\n0.379895 0.297546 0.149960 O\n0.620105 0.702453 0.649961 O\n0.188899 0.528451 0.811287 O\n0.120105 0.797546 0.472614 O\n0.620105 0.702453 0.972614 O\n0.688898 0.971548 0.311287 O\n0.120105 0.797546 0.149960 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 2.899766973568378,
"density_atomic": 0.0698552013147259,
"volume": 229.0452206688738,
"volume_molar": 8.620890995457621,
"formula_full": "Cr4 O12",
"formula_reduced": "CrO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.5788144750000006,
"spacegroup": 62
},
{
"id": "jvasp-37067",
"created_at": "2022-09-04T14:38:08.055914Z",
"updated_at": "2022-09-04T14:38:08.055942Z",
"structure_string": "Tb1 Tl1 Te2\n1.0\n-2.221001 -3.846887 0.000000\n-4.442002 -0.000000 0.000000\n-2.221001 -1.282296 -8.131785\nTb Tl Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500001 0.499999 0.500000 Tl\n0.738463 0.738461 0.784615 Te\n0.261539 0.261538 0.215385 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tb",
"Tl",
"Te"
],
"chemical_system": "Tb-Te-Tl",
"density": 7.3912996355259875,
"density_atomic": 0.028786305135655835,
"volume": 138.9549642147524,
"volume_molar": 20.920158845050047,
"formula_full": "Tb1 Tl1 Te2",
"formula_reduced": "TbTlTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3799866333333334,
"spacegroup": 166
},
{
"id": "jvasp-51102",
"created_at": "2022-09-04T14:38:08.052914Z",
"updated_at": "2022-09-04T14:38:08.052935Z",
"structure_string": "Mn1 Tc1 Os1\n1.0\n0.000000 2.905116 2.905116\n2.905116 0.000000 2.905116\n2.905116 2.905116 0.000000\nMn Tc Os\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Tc\n0.500001 0.500001 0.500001 Os\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mn",
"Tc",
"Os"
],
"chemical_system": "Mn-Os-Tc",
"density": 11.620786106913995,
"density_atomic": 0.061178781697351324,
"volume": 49.036609045941205,
"volume_molar": 9.843512068924909,
"formula_full": "Mn1 Tc1 Os1",
"formula_reduced": "MnTcOs",
"formula_anonymous": "ABC",
"energy_above_hull": 4.840511247126437,
"spacegroup": 216
},
{
"id": "jvasp-64795",
"created_at": "2022-09-04T14:38:08.050436Z",
"updated_at": "2022-09-04T14:38:08.050456Z",
"structure_string": "Ba2 Y1 Bi1\n1.0\n-0.000000 4.318070 4.318070\n4.318070 0.000000 4.318070\n4.318070 4.318070 -0.000000\nBa Y Bi\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Bi"
],
"chemical_system": "Ba-Bi-Y",
"density": 5.9041324272211115,
"density_atomic": 0.02484053587826757,
"volume": 161.02712194302984,
"volume_molar": 24.24319986296526,
"formula_full": "Ba2 Y1 Bi1",
"formula_reduced": "Ba2YBi",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7935529225,
"spacegroup": 225
},
{
"id": "jvasp-30463",
"created_at": "2022-09-04T14:38:08.047219Z",
"updated_at": "2022-09-04T14:38:08.047236Z",
"structure_string": "Zn2 H2\n1.0\n1.350529 -2.339184 0.000000\n1.350529 2.339184 0.000000\n0.000000 0.000000 6.606448\nZn H\n2 2\ndirect\n0.000000 0.000000 0.322573 Zn\n0.333337 0.666668 0.822572 Zn\n0.333337 0.666668 0.552428 H\n0.000000 0.000000 0.052426 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"H"
],
"chemical_system": "H-Zn",
"density": 5.284350797256724,
"density_atomic": 0.09582827615152277,
"volume": 41.74133314967742,
"volume_molar": 6.28430459343529,
"formula_full": "Zn2 H2",
"formula_reduced": "ZnH",
"formula_anonymous": "AB",
"energy_above_hull": 0.5356502,
"spacegroup": 186
},
{
"id": "jvasp-36965",
"created_at": "2022-09-04T14:38:08.045428Z",
"updated_at": "2022-09-04T14:38:08.045452Z",
"structure_string": "Rb2 Pb2 Cl6\n1.0\n0.000000 4.270273 0.000054\n10.786260 0.000000 0.000000\n0.000000 -2.134149 -6.840926\nRb Pb Cl\n2 2 6\ndirect\n0.749216 0.009544 0.498446 Rb\n0.250784 0.509544 0.501555 Rb\n-0.000005 0.759540 -0.000012 Pb\n0.000005 0.259540 0.000012 Pb\n0.640633 0.706727 0.281230 Cl\n0.359367 0.206727 0.718771 Cl\n0.640645 0.312351 0.281255 Cl\n0.359355 0.812351 0.718746 Cl\n0.069369 0.009539 0.138803 Cl\n0.930631 0.509539 0.861198 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"Cl"
],
"chemical_system": "Cl-Pb-Rb",
"density": 4.205730636449858,
"density_atomic": 0.0317365925046865,
"volume": 315.0936887292898,
"volume_molar": 18.975385461154087,
"formula_full": "Rb2 Pb2 Cl6",
"formula_reduced": "RbPbCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-109849",
"created_at": "2022-09-04T14:38:08.042222Z",
"updated_at": "2022-09-04T14:38:08.042243Z",
"structure_string": "K2 In1 Cu1 Br6\n1.0\n6.537161 -0.000000 3.774232\n2.179054 6.163295 3.774232\n-0.000000 -0.000000 7.548464\nK In Cu Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Cu\n0.744502 0.255497 0.255497 Br\n0.255497 0.255497 0.744502 Br\n0.255497 0.744502 0.744502 Br\n0.255497 0.744502 0.255497 Br\n0.744502 0.255497 0.744502 Br\n0.744502 0.744502 0.255497 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"In",
"Cu",
"Br"
],
"chemical_system": "Br-Cu-In-K",
"density": 4.018436408318639,
"density_atomic": 0.032880565292217445,
"volume": 304.13102424266765,
"volume_molar": 18.31519837472317,
"formula_full": "K2 In1 Cu1 Br6",
"formula_reduced": "K2InCuBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"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-36803",
"created_at": "2022-09-04T14:38:08.041077Z",
"updated_at": "2022-09-04T14:38:08.041097Z",
"structure_string": "Au2 Cl2 O4\n1.0\n-1.869097 2.988132 -0.072806\n3.778422 2.594894 -1.156659\n-3.680424 -2.633456 -8.270227\nAu Cl O\n2 2 4\ndirect\n-0.000001 0.500000 0.500000 Au\n0.499999 0.000000 0.500000 Au\n0.749999 0.646787 0.293576 Cl\n0.249999 0.353213 0.706425 Cl\n0.758037 0.832234 0.925953 O\n0.741959 0.093718 0.925953 O\n0.258038 0.906281 0.074048 O\n0.241961 0.167766 0.074048 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Au",
"Cl",
"O"
],
"chemical_system": "Au-Cl-O",
"density": 5.780039063502955,
"density_atomic": 0.05265626436224232,
"volume": 151.92874194350324,
"volume_molar": 11.436703368418657,
"formula_full": "Au2 Cl2 O4",
"formula_reduced": "AuClO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.321982159375,
"spacegroup": 15
},
{
"id": "jvasp-27540",
"created_at": "2022-09-04T14:38:08.039964Z",
"updated_at": "2022-09-04T14:38:08.039992Z",
"structure_string": "Na12 As4 Se12\n1.0\n8.877043 0.000000 -0.000000\n0.000000 8.877043 -0.000000\n0.000000 -0.000000 8.877043\nNa As Se\n12 4 12\ndirect\n0.823205 0.176794 0.676794 Na\n0.676794 0.823205 0.176794 Na\n0.176794 0.676794 0.823205 Na\n0.323206 0.323206 0.323206 Na\n0.186286 0.313714 0.686286 Na\n0.313714 0.686286 0.186286 Na\n0.686286 0.186286 0.313714 Na\n0.813714 0.813714 0.813714 Na\n0.417124 0.082876 0.917124 Na\n0.082876 0.917124 0.417124 Na\n0.917124 0.417124 0.082876 Na\n0.582876 0.582876 0.582876 Na\n0.530523 0.469476 0.969476 As\n0.969476 0.530523 0.469476 As\n0.469476 0.969476 0.530523 As\n0.030523 0.030523 0.030523 As\n0.269379 0.387280 0.000946 Se\n0.769379 0.112720 -0.000946 Se\n0.730620 0.887280 0.499054 Se\n0.112720 -0.000946 0.769379 Se\n0.499054 0.730620 0.887280 Se\n-0.000946 0.769379 0.112720 Se\n0.387280 0.000946 0.269379 Se\n0.000946 0.269379 0.387280 Se\n0.887280 0.499054 0.730620 Se\n0.612720 0.500946 0.230621 Se\n0.500946 0.230621 0.612720 Se\n0.230621 0.612720 0.500946 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Na",
"As",
"Se"
],
"chemical_system": "As-Na-Se",
"density": 3.6154959340646142,
"density_atomic": 0.040027001784949064,
"volume": 699.527787527882,
"volume_molar": 15.045195721515277,
"formula_full": "Na12 As4 Se12",
"formula_reduced": "Na3AsSe3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.5898726928571429,
"spacegroup": 198
},
{
"id": "jvasp-36963",
"created_at": "2022-09-04T14:38:08.033848Z",
"updated_at": "2022-09-04T14:38:08.033876Z",
"structure_string": "Rb2 Os2 O6\n1.0\n-5.078316 -0.000000 2.179333\n-3.006783 4.636598 0.000000\n-5.037766 0.026297 -4.732629\nRb Os O\n2 2 6\ndirect\n0.863274 0.863274 0.410178 Rb\n0.136727 0.136725 0.589822 Rb\n0.665720 0.665719 0.002841 Os\n0.334280 0.334280 0.997162 Os\n0.467898 0.650136 0.826272 O\n0.055694 0.467898 0.826272 O\n0.650136 0.055696 0.826271 O\n0.532103 0.349865 0.173728 O\n0.349865 0.944305 0.173729 O\n0.944304 0.532102 0.173730 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Os",
"O"
],
"chemical_system": "O-Os-Rb",
"density": 6.629059665753249,
"density_atomic": 0.06166454084604151,
"volume": 162.16775253329303,
"volume_molar": 9.765970324883371,
"formula_full": "Rb2 Os2 O6",
"formula_reduced": "RbOsO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.3393651,
"spacegroup": 148
}
]
}