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=created_at&page=1555",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=1553",
"results": [
{
"id": "jvasp-18565",
"created_at": "2022-09-04T14:36:43.578407Z",
"updated_at": "2022-09-04T14:36:43.578420Z",
"structure_string": "Tl1 Bi1\n1.0\n3.973247 -0.000000 0.000000\n-0.000000 3.973247 -0.000000\n-0.000000 -0.000000 3.973247\nTl Bi\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tl",
"Bi"
],
"chemical_system": "Bi-Tl",
"density": 10.943210189368092,
"density_atomic": 0.031885505258161306,
"volume": 62.72442552837035,
"volume_molar": 18.88676598109918,
"formula_full": "Tl1 Bi1",
"formula_reduced": "TlBi",
"formula_anonymous": "AB",
"energy_above_hull": 0.3017447666666666,
"spacegroup": 221
},
{
"id": "jvasp-79429",
"created_at": "2022-09-04T14:36:43.581135Z",
"updated_at": "2022-09-04T14:36:43.581159Z",
"structure_string": "Ho1 Er1 Ru2\n1.0\n-0.000013 3.365268 3.365269\n3.365262 -0.000004 3.365260\n3.365258 3.365257 -0.000000\nHo Er Ru\n1 1 2\ndirect\n0.750000 0.749999 0.749999 Ho\n0.250003 0.250001 0.250000 Er\n0.999996 0.000003 0.000002 Ru\n0.500003 0.499999 0.500004 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Er",
"Ru"
],
"chemical_system": "Er-Ho-Ru",
"density": 11.640462519620868,
"density_atomic": 0.05247737768078036,
"volume": 76.22332091995871,
"volume_molar": 11.475689194366103,
"formula_full": "Ho1 Er1 Ru2",
"formula_reduced": "HoErRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8284791416666666,
"spacegroup": 225
},
{
"id": "jvasp-103623",
"created_at": "2022-09-04T14:36:43.585010Z",
"updated_at": "2022-09-04T14:36:43.585037Z",
"structure_string": "Nd1 Hg1 Au2\n1.0\n4.371633 -0.000000 2.523963\n1.457211 4.121615 2.523963\n-0.000000 -0.000000 5.047926\nNd Hg Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.499999 0.500000 Hg\n0.750000 0.749999 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Hg",
"Au"
],
"chemical_system": "Au-Hg-Nd",
"density": 13.48749799904865,
"density_atomic": 0.04397804243900771,
"volume": 90.95448042162228,
"volume_molar": 13.693517096291838,
"formula_full": "Nd1 Hg1 Au2",
"formula_reduced": "NdHgAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.05374281,
"spacegroup": 225
},
{
"id": "jvasp-28417",
"created_at": "2022-09-04T14:36:43.585184Z",
"updated_at": "2022-09-04T14:36:43.585198Z",
"structure_string": "Te2 W2 Se2\n1.0\n3.442803 -0.000000 -0.000000\n-1.721401 2.981556 -0.000138\n-0.000000 -0.001076 23.031610\nTe W Se\n2 2 2\ndirect\n0.333418 0.666837 0.531347 Te\n0.333360 0.666722 0.369184 Te\n0.333276 0.666554 0.151541 W\n0.666722 0.333447 0.450328 W\n0.666585 0.333169 0.080328 Se\n0.666635 0.333272 0.222875 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Te",
"W",
"Se"
],
"chemical_system": "Se-Te-W",
"density": 5.484151727115786,
"density_atomic": 0.025378842465139523,
"volume": 236.41740194579887,
"volume_molar": 23.728981210518313,
"formula_full": "Te2 W2 Se2",
"formula_reduced": "TeWSe",
"formula_anonymous": "ABC",
"energy_above_hull": 3.0032203777777777,
"spacegroup": 156
},
{
"id": "jvasp-102082",
"created_at": "2022-09-04T14:36:43.589087Z",
"updated_at": "2022-09-04T14:36:43.589107Z",
"structure_string": "Na2 Li1 Ti1 F6\n1.0\n4.802636 0.000000 2.772803\n1.600879 4.527970 2.772803\n-0.000000 0.000000 5.545607\nNa Li Ti F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750001 0.750000 0.749999 Na\n0.500001 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Ti\n0.250444 0.250444 0.749556 F\n0.250444 0.749556 0.749556 F\n0.749557 0.749556 0.250442 F\n0.250444 0.749556 0.250443 F\n0.749557 0.250444 0.749556 F\n0.749557 0.250444 0.250443 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Li",
"Ti",
"F"
],
"chemical_system": "F-Li-Na-Ti",
"density": 2.957375726925234,
"density_atomic": 0.08292160471051191,
"volume": 120.59583307524085,
"volume_molar": 7.2624508184856404,
"formula_full": "Na2 Li1 Ti1 F6",
"formula_reduced": "Na2LiTiF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-15326",
"created_at": "2022-09-04T14:36:43.591305Z",
"updated_at": "2022-09-04T14:36:43.591331Z",
"structure_string": "Ca1 Mn2 Sb2\n1.0\n2.153957 -3.730763 0.000000\n2.153957 3.730763 -0.000000\n0.000000 0.000000 7.652281\nCa Mn Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333334 0.666668 0.391463 Mn\n0.666668 0.333334 0.608537 Mn\n0.333334 0.666668 0.741344 Sb\n0.666668 0.333334 0.258656 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"Sb"
],
"chemical_system": "Ca-Mn-Sb",
"density": 5.312630875496807,
"density_atomic": 0.04065504154189675,
"volume": 122.98597690146957,
"volume_molar": 14.812777288135168,
"formula_full": "Ca1 Mn2 Sb2",
"formula_reduced": "Ca(MnSb)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.370475420551724,
"spacegroup": 164
},
{
"id": "jvasp-102929",
"created_at": "2022-09-04T14:36:43.593462Z",
"updated_at": "2022-09-04T14:36:43.593483Z",
"structure_string": "Ga1 Ag3\n1.0\n4.110417 -0.000000 0.000000\n-0.000000 4.110417 0.000000\n-0.000000 -0.000000 4.110417\nGa Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"Ag"
],
"chemical_system": "Ag-Ga",
"density": 9.404720003987933,
"density_atomic": 0.05759732873256337,
"volume": 69.44766516122388,
"volume_molar": 10.455590376355957,
"formula_full": "Ga1 Ag3",
"formula_reduced": "GaAg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0066824999999999,
"spacegroup": 221
},
{
"id": "jvasp-55310",
"created_at": "2022-09-04T14:36:43.599858Z",
"updated_at": "2022-09-04T14:36:43.599873Z",
"structure_string": "Ca6 Fe2 Rh2 O12\n1.0\n6.409837 0.001389 -0.181615\n-0.186873 6.407113 -0.181615\n0.001348 0.001389 6.412410\nCa Fe Rh O\n6 2 2 12\ndirect\n0.750001 0.381156 0.118844 Ca\n0.118845 0.750000 0.381155 Ca\n0.381156 0.118844 0.750000 Ca\n0.881156 0.250000 0.618844 Ca\n0.250001 0.618844 0.881155 Ca\n0.618845 0.881156 0.249999 Ca\n0.750001 0.750000 0.749999 Fe\n0.250000 0.250000 0.250000 Fe\n0.500001 0.500000 0.499999 Rh\n0.000000 0.000000 0.000000 Rh\n0.097485 0.299412 0.960475 O\n0.799412 0.597485 0.460474 O\n0.539525 0.200589 0.402515 O\n0.402515 0.539525 0.200588 O\n0.200589 0.402515 0.539525 O\n0.700589 0.039525 0.902515 O\n0.902516 0.700588 0.039524 O\n0.039526 0.902515 0.700588 O\n0.460476 0.799411 0.597484 O\n0.597486 0.460475 0.799411 O\n0.960476 0.097485 0.299411 O\n0.299412 0.960475 0.097484 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ca",
"Fe",
"Rh",
"O"
],
"chemical_system": "Ca-Fe-O-Rh",
"density": 4.728784392266159,
"density_atomic": 0.08353797691598414,
"volume": 263.35327730196116,
"volume_molar": 7.208865934180559,
"formula_full": "Ca6 Fe2 Rh2 O12",
"formula_reduced": "Ca3FeRhO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.9311700690909088,
"spacegroup": 167
},
{
"id": "jvasp-106555",
"created_at": "2022-09-04T14:36:43.605931Z",
"updated_at": "2022-09-04T14:36:43.605956Z",
"structure_string": "Mg4 Sb2\n1.0\n5.401980 -0.006715 -4.726067\n-0.480924 3.857717 -6.033562\n-0.042232 0.006715 7.177417\nMg Sb\n4 2\ndirect\n0.248648 -0.000000 0.248648 Mg\n0.181051 0.681051 0.500002 Mg\n0.818950 0.318950 0.500000 Mg\n0.751352 -0.000000 0.751352 Mg\n0.648228 0.648228 0.000000 Sb\n0.351773 0.351772 0.000000 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 3.797098675122338,
"density_atomic": 0.04026529795579936,
"volume": 149.01168759725587,
"volume_molar": 14.95615595993035,
"formula_full": "Mg4 Sb2",
"formula_reduced": "Mg2Sb",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3757681190476192,
"spacegroup": 71
},
{
"id": "jvasp-103564",
"created_at": "2022-09-04T14:36:43.610575Z",
"updated_at": "2022-09-04T14:36:43.610585Z",
"structure_string": "K2 Cu1 Bi1 Cl6\n1.0\n6.341866 -0.000000 3.661478\n2.113955 5.979168 3.661478\n-0.000000 -0.000000 7.322956\nK Cu Bi Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Bi\n0.738341 0.261660 0.261660 Cl\n0.261660 0.261660 0.738341 Cl\n0.261660 0.738340 0.738341 Cl\n0.261660 0.738340 0.261660 Cl\n0.738341 0.261660 0.738341 Cl\n0.738341 0.738340 0.261660 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Cu",
"Bi",
"Cl"
],
"chemical_system": "Bi-Cl-Cu-K",
"density": 3.3694056622516717,
"density_atomic": 0.03601270617976457,
"volume": 277.67977085873565,
"volume_molar": 16.72226666315852,
"formula_full": "K2 Cu1 Bi1 Cl6",
"formula_reduced": "K2CuBiCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-102697",
"created_at": "2022-09-04T14:36:43.614535Z",
"updated_at": "2022-09-04T14:36:43.614557Z",
"structure_string": "Ni4 Ge1 Pt5\n1.0\n2.794141 0.000000 0.000000\n0.000000 2.794141 0.000000\n0.000000 0.000000 17.754752\nNi Ge Pt\n4 1 5\ndirect\n0.000000 0.000000 0.206610 Ni\n0.000000 0.000000 0.401672 Ni\n0.000000 0.000000 0.598328 Ni\n0.000000 0.000000 0.793390 Ni\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.104569 Pt\n0.500000 0.500000 0.303639 Pt\n0.500000 0.500000 0.500000 Pt\n0.500000 0.500000 0.696361 Pt\n0.500000 0.500000 0.895431 Pt\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ni",
"Ge",
"Pt"
],
"chemical_system": "Ge-Ni-Pt",
"density": 15.367675357372253,
"density_atomic": 0.07214209558282621,
"volume": 138.61532464799305,
"volume_molar": 8.347609965233117,
"formula_full": "Ni4 Ge1 Pt5",
"formula_reduced": "Ni4GePt5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 2.1576592550000004,
"spacegroup": 123
},
{
"id": "jvasp-104893",
"created_at": "2022-09-04T14:36:43.618156Z",
"updated_at": "2022-09-04T14:36:43.618176Z",
"structure_string": "Hf1 Fe1 F6\n1.0\n4.971074 -0.000000 2.870051\n1.657025 4.686774 2.870051\n-0.000000 -0.000000 5.740102\nHf Fe F\n1 1 6\ndirect\n0.499999 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Fe\n0.746752 0.253247 0.253247 F\n0.253246 0.746752 0.746753 F\n0.253246 0.746752 0.253247 F\n0.746752 0.253247 0.746753 F\n0.253247 0.253247 0.746753 F\n0.746752 0.746752 0.253247 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Hf",
"Fe",
"F"
],
"chemical_system": "F-Fe-Hf",
"density": 4.325042864441325,
"density_atomic": 0.05981996258905287,
"volume": 133.7346205807225,
"volume_molar": 10.067108870278798,
"formula_full": "Hf1 Fe1 F6",
"formula_reduced": "HfFeF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.7668125243749999,
"spacegroup": 225
}
]
}