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=162",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=160",
"results": [
{
"id": "jvasp-93270",
"created_at": "2022-09-04T14:35:54.311084Z",
"updated_at": "2022-09-04T14:35:54.311092Z",
"structure_string": "Rb2 Au3\n1.0\n4.655407 0.000000 -1.930729\n-0.972724 4.946268 -2.345447\n-0.058117 -0.083575 6.437829\nRb Au\n2 3\ndirect\n0.803053 0.303053 0.606106 Rb\n0.196948 0.696948 0.393895 Rb\n0.500001 0.253239 0.000000 Au\n0.500001 0.746762 0.000000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Rb",
"Au"
],
"chemical_system": "Au-Rb",
"density": 8.628214951279656,
"density_atomic": 0.034102071986340084,
"volume": 146.61865713035849,
"volume_molar": 17.659163825623928,
"formula_full": "Rb2 Au3",
"formula_reduced": "Rb2Au3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.0965975139999999,
"spacegroup": 71
},
{
"id": "jvasp-87336",
"created_at": "2022-09-04T14:36:03.502227Z",
"updated_at": "2022-09-04T14:36:03.502259Z",
"structure_string": "Fe12 O18\n1.0\n4.764310 0.000000 0.000000\n-2.382155 4.126013 -0.000000\n0.000000 0.000000 13.302265\nFe O\n12 18\ndirect\n0.000000 0.000000 0.346077 Fe\n0.333333 0.666666 0.512744 Fe\n0.333333 0.666666 0.820589 Fe\n0.333333 0.666666 0.012744 Fe\n0.666667 0.333333 0.179410 Fe\n0.666667 0.333333 0.487255 Fe\n0.333333 0.666666 0.320589 Fe\n0.666667 0.333333 0.679410 Fe\n0.000000 0.000000 0.846077 Fe\n0.000000 0.000000 0.153923 Fe\n0.000000 0.000000 0.653922 Fe\n0.666667 0.333333 0.987255 Fe\n0.666667 0.020083 0.083333 O\n0.333333 0.353416 0.416667 O\n0.333334 0.979917 0.916667 O\n0.020083 0.666666 0.416667 O\n0.646584 0.666666 0.916667 O\n0.979918 0.646583 0.083333 O\n0.353417 0.020083 0.583333 O\n0.666667 0.646583 0.583333 O\n0.000000 0.313250 0.250000 O\n0.979918 0.333333 0.583333 O\n0.313251 0.313250 0.750000 O\n0.686750 0.686749 0.250000 O\n0.000000 0.686749 0.750000 O\n0.020083 0.353416 0.916667 O\n0.686750 0.000000 0.750000 O\n0.313250 0.000000 0.250000 O\n0.353417 0.333333 0.083333 O\n0.646584 0.979917 0.416667 O\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 6.084389021746986,
"density_atomic": 0.11472684625483104,
"volume": 261.49067092251505,
"volume_molar": 5.249112092407415,
"formula_full": "Fe12 O18",
"formula_reduced": "Fe2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.7202823,
"spacegroup": 167
},
{
"id": "jvasp-92491",
"created_at": "2022-09-04T14:36:04.019395Z",
"updated_at": "2022-09-04T14:36:04.019415Z",
"structure_string": "U2 N3\n1.0\n-1.848183 -3.201170 -0.000051\n-1.848204 3.201182 0.000000\n-0.000085 -0.000049 -5.785030\nU N\n2 3\ndirect\n0.333326 0.666662 0.242196 U\n0.666672 0.333334 0.757804 U\n0.000000 0.000000 0.000000 N\n0.333336 0.666666 0.643021 N\n0.666662 0.333330 0.356978 N\n",
"nsites": 5,
"nelements": 2,
"elements": [
"U",
"N"
],
"chemical_system": "N-U",
"density": 12.567577706091537,
"density_atomic": 0.0730427982575245,
"volume": 68.45301822051876,
"volume_molar": 8.244674223416173,
"formula_full": "U2 N3",
"formula_reduced": "U2N3",
"formula_anonymous": "A2B3",
"energy_above_hull": 5.51933835,
"spacegroup": 164
},
{
"id": "jvasp-63424",
"created_at": "2022-09-04T14:35:50.076349Z",
"updated_at": "2022-09-04T14:35:50.076378Z",
"structure_string": "Y6 Au4\n1.0\n8.116353 -0.000000 -0.000000\n-0.000000 8.116353 0.000000\n0.000000 0.000000 3.817239\nY Au\n6 4\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.000000 Y\n0.661557 0.161558 0.500000 Y\n0.338442 0.838442 0.500000 Y\n0.161558 0.338442 0.500000 Y\n0.838442 0.661557 0.500000 Y\n0.134792 0.634792 0.000000 Au\n0.865208 0.365208 0.000000 Au\n0.634792 0.865208 0.000000 Au\n0.365208 0.134792 0.000000 Au\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Y",
"Au"
],
"chemical_system": "Au-Y",
"density": 8.725288140694378,
"density_atomic": 0.039767546093116786,
"volume": 251.4613292101235,
"volume_molar": 15.143355202000633,
"formula_full": "Y6 Au4",
"formula_reduced": "Y3Au2",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.885026298,
"spacegroup": 127
},
{
"id": "jvasp-86079",
"created_at": "2022-09-04T14:35:57.614198Z",
"updated_at": "2022-09-04T14:35:57.614214Z",
"structure_string": "K4 Ga6\n1.0\n5.749257 -0.000000 -2.200643\n-0.842340 5.687215 -2.200643\n-0.049207 -0.057032 8.481834\nK Ga\n4 6\ndirect\n0.390426 0.390426 0.780853 K\n0.250000 0.750000 0.500000 K\n0.609574 0.609573 0.219147 K\n0.750000 0.250000 0.500000 K\n-0.000000 0.294802 0.000000 Ga\n0.143250 0.143250 0.286498 Ga\n0.294802 0.000000 0.000000 Ga\n-0.000000 0.705197 0.000000 Ga\n0.856750 0.856750 0.713501 Ga\n0.705198 0.000000 0.000000 Ga\n",
"nsites": 10,
"nelements": 2,
"elements": [
"K",
"Ga"
],
"chemical_system": "Ga-K",
"density": 3.459222940410841,
"density_atomic": 0.036246383482529315,
"volume": 275.88959336646593,
"volume_molar": 16.614459654720203,
"formula_full": "K4 Ga6",
"formula_reduced": "K2Ga3",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.163336342344337e-17,
"spacegroup": 139
},
{
"id": "jvasp-91207",
"created_at": "2022-09-04T14:35:57.860877Z",
"updated_at": "2022-09-04T14:35:57.860897Z",
"structure_string": "Tc4 P6\n1.0\n3.066576 0.000000 0.638638\n1.337003 6.155130 1.261825\n-0.020475 -0.034524 7.780081\nTc P\n4 6\ndirect\n0.365493 0.413506 0.855504 Tc\n0.634505 0.586494 0.144495 Tc\n0.250274 0.863228 0.636220 Tc\n0.749724 0.136773 0.363779 Tc\n0.098375 0.432535 0.370711 P\n0.901623 0.567465 0.629288 P\n0.410560 0.856760 0.322117 P\n0.589439 0.143240 0.677882 P\n0.888289 0.183230 0.040194 P\n0.111710 0.816769 0.959806 P\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Tc",
"P"
],
"chemical_system": "P-Tc",
"density": 6.525863262991728,
"density_atomic": 0.06801102768840335,
"volume": 147.03497858929006,
"volume_molar": 8.854653377082911,
"formula_full": "Tc4 P6",
"formula_reduced": "Tc2P3",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.1243219,
"spacegroup": 12
},
{
"id": "jvasp-107742",
"created_at": "2022-09-04T14:35:52.247519Z",
"updated_at": "2022-09-04T14:35:52.247543Z",
"structure_string": "Sm2 Ge3\n1.0\n4.386523 -0.000000 0.000000\n-2.193261 3.798840 0.000000\n-0.000000 -0.000000 7.435391\nSm Ge\n2 3\ndirect\n0.666666 0.333333 0.729367 Sm\n0.666666 0.333333 0.270632 Sm\n0.000000 0.000000 0.000000 Ge\n0.333333 0.666667 0.500000 Ge\n0.333333 0.666667 -0.000000 Ge\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Sm",
"Ge"
],
"chemical_system": "Ge-Sm",
"density": 6.950881450150779,
"density_atomic": 0.04035476102243034,
"volume": 123.90111781905625,
"volume_molar": 14.92299943655402,
"formula_full": "Sm2 Ge3",
"formula_reduced": "Sm2Ge3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.0497431199999998,
"spacegroup": 187
},
{
"id": "jvasp-12424",
"created_at": "2022-09-04T14:36:49.501023Z",
"updated_at": "2022-09-04T14:36:49.501060Z",
"structure_string": "In4 O6\n1.0\n4.891545 -0.007663 3.206165\n1.728089 4.576133 3.206165\n-0.011103 -0.007663 5.848640\nIn O\n4 6\ndirect\n0.642149 0.642149 0.642147 In\n0.857853 0.857852 0.857849 In\n0.357852 0.357852 0.357851 In\n0.142149 0.142148 0.142148 In\n0.046073 0.750000 0.453927 O\n0.750001 0.453928 0.046071 O\n0.453928 0.046073 0.749999 O\n0.953929 0.250001 0.546070 O\n0.546073 0.953928 0.249998 O\n0.250001 0.546073 0.953927 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"In",
"O"
],
"chemical_system": "In-O",
"density": 7.0258311153553965,
"density_atomic": 0.07619836451575422,
"volume": 131.23641253392614,
"volume_molar": 7.903241491167315,
"formula_full": "In4 O6",
"formula_reduced": "In2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.9899560879999998,
"spacegroup": 167
},
{
"id": "jvasp-107061",
"created_at": "2022-09-04T14:36:51.374313Z",
"updated_at": "2022-09-04T14:36:51.374336Z",
"structure_string": "Hf4 Te6\n1.0\n6.229976 -0.021005 4.601937\n2.310377 5.785776 4.601937\n-0.031119 -0.021005 7.745286\nHf Te\n4 6\ndirect\n0.000000 0.000000 0.000000 Hf\n0.339850 0.339849 0.339850 Hf\n0.660151 0.660150 0.660151 Hf\n0.500001 0.500000 0.500001 Hf\n0.927816 0.575931 0.231901 Te\n0.575932 0.231899 0.927816 Te\n0.231901 0.927815 0.575932 Te\n0.768100 0.072184 0.424069 Te\n0.424069 0.768100 0.072185 Te\n0.072186 0.424068 0.768100 Te\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Hf",
"Te"
],
"chemical_system": "Hf-Te",
"density": 8.750553213353475,
"density_atomic": 0.03561671253406142,
"volume": 280.7670694041926,
"volume_molar": 16.908188127247374,
"formula_full": "Hf4 Te6",
"formula_reduced": "Hf2Te3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.7617258600000003,
"spacegroup": 148
},
{
"id": "jvasp-50097",
"created_at": "2022-09-04T14:36:48.151462Z",
"updated_at": "2022-09-04T14:36:48.151489Z",
"structure_string": "Sc4 O6\n1.0\n5.357707 -0.000000 0.000000\n-2.678854 1.546637 4.761942\n2.678854 -4.639910 0.000000\nSc O\n4 6\ndirect\n0.143969 0.431905 0.143968 Sc\n0.356031 0.068094 0.356031 Sc\n0.643969 0.931905 0.643968 Sc\n0.856031 0.568094 0.856031 Sc\n0.250000 0.750000 0.549464 O\n0.049465 0.250000 0.750000 O\n0.450536 0.250000 0.049465 O\n0.549465 0.750000 0.950535 O\n0.950536 0.750000 0.249999 O\n0.750000 0.250000 0.450535 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Sc",
"O"
],
"chemical_system": "O-Sc",
"density": 3.869031892864898,
"density_atomic": 0.08447484089993919,
"volume": 118.37844136155336,
"volume_molar": 7.128916368286804,
"formula_full": "Sc4 O6",
"formula_reduced": "Sc2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.8927842,
"spacegroup": 167
},
{
"id": "jvasp-22521",
"created_at": "2022-09-04T14:36:57.219223Z",
"updated_at": "2022-09-04T14:36:57.219247Z",
"structure_string": "Rh8 S12\n1.0\n6.045622 -0.000000 0.000000\n-0.000000 6.191866 0.000000\n0.000000 0.000000 8.556262\nRh S\n8 12\ndirect\n0.251423 0.032410 0.107010 Rh\n0.248577 0.532411 0.392990 Rh\n0.248577 0.967590 0.607010 Rh\n0.748577 0.967590 0.892990 Rh\n0.748577 0.532411 0.107010 Rh\n0.751423 0.467590 0.607010 Rh\n0.751423 0.032410 0.392990 Rh\n0.251423 0.467590 0.892990 Rh\n0.109341 0.606434 0.651577 S\n0.109341 0.893567 0.348422 S\n0.452379 0.250000 0.500000 S\n0.609341 0.606434 0.848422 S\n0.609341 0.893567 0.151577 S\n0.890659 0.106434 0.651577 S\n0.890659 0.393566 0.348422 S\n0.952379 0.250000 0.000000 S\n0.547620 0.750000 0.500000 S\n0.047620 0.750000 0.000000 S\n0.390659 0.393566 0.151577 S\n0.390659 0.106434 0.848422 S\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Rh",
"S"
],
"chemical_system": "Rh-S",
"density": 6.2629370532839586,
"density_atomic": 0.0624429457012933,
"volume": 320.2923849184419,
"volume_molar": 9.644229131674791,
"formula_full": "Rh8 S12",
"formula_reduced": "Rh2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.3329212000000004,
"spacegroup": 60
},
{
"id": "jvasp-102341",
"created_at": "2022-09-04T14:36:52.310002Z",
"updated_at": "2022-09-04T14:36:52.310037Z",
"structure_string": "In2 Te3\n1.0\n4.507653 0.000000 0.000000\n-2.253827 3.903741 0.000000\n-0.000000 -0.000000 10.827854\nIn Te\n2 3\ndirect\n0.000000 0.000000 0.971754 In\n0.666666 0.333333 0.381262 In\n0.000000 0.000000 0.249781 Te\n0.666666 0.333333 0.631034 Te\n0.333333 0.666666 0.849501 Te\n",
"nsites": 5,
"nelements": 2,
"elements": [
"In",
"Te"
],
"chemical_system": "In-Te",
"density": 5.337476120039635,
"density_atomic": 0.026241952227763623,
"volume": 190.53460491822972,
"volume_molar": 22.948524209371353,
"formula_full": "In2 Te3",
"formula_reduced": "In2Te3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.3685335533333332,
"spacegroup": 156
}
]
}