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=962",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=960",
"results": [
{
"id": "jvasp-67988",
"created_at": "2022-09-04T14:36:12.582108Z",
"updated_at": "2022-09-04T14:36:12.582135Z",
"structure_string": "Na2 Be1 Ge1\n1.0\n-2.305334 2.305334 3.260200\n2.305334 -2.305334 3.260200\n2.305334 2.305334 -3.260200\nNa Be Ge\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.749999 0.499999 Na\n0.500000 0.500000 0.000000 Be\n0.749999 0.250000 0.499999 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"Ge"
],
"chemical_system": "Be-Ge-Na",
"density": 3.0579879937744328,
"density_atomic": 0.05771491308418569,
"volume": 69.3061773161715,
"volume_molar": 10.434288883387596,
"formula_full": "Na2 Be1 Ge1",
"formula_reduced": "Na2BeGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3476350125,
"spacegroup": 216
},
{
"id": "jvasp-66627",
"created_at": "2022-09-04T14:36:12.591418Z",
"updated_at": "2022-09-04T14:36:12.591441Z",
"structure_string": "Ba2 Ti1 Re1\n1.0\n-0.000000 3.802139 3.802139\n3.802139 -0.000000 3.802139\n3.802139 3.802139 0.000000\nBa Ti Re\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"Re"
],
"chemical_system": "Ba-Re-Ti",
"density": 7.68459127865545,
"density_atomic": 0.036386981160167385,
"volume": 109.92942729689202,
"volume_molar": 16.55026212120175,
"formula_full": "Ba2 Ti1 Re1",
"formula_reduced": "Ba2TiRe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8991495683333333,
"spacegroup": 225
},
{
"id": "jvasp-63899",
"created_at": "2022-09-04T14:36:12.600262Z",
"updated_at": "2022-09-04T14:36:12.600290Z",
"structure_string": "Ba4 Ge1 Te1\n1.0\n0.000000 4.910973 4.910973\n4.910973 -0.000000 4.910973\n4.910973 4.910973 0.000000\nBa Ge Te\n4 1 1\ndirect\n0.124664 0.625112 0.625112 Ba\n0.625112 0.625112 0.625112 Ba\n0.625112 0.124664 0.625112 Ba\n0.625112 0.625112 0.124664 Ba\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ge",
"Te"
],
"chemical_system": "Ba-Ge-Te",
"density": 5.254312661137847,
"density_atomic": 0.02532903332677067,
"volume": 236.8823129802787,
"volume_molar": 23.77564387202689,
"formula_full": "Ba4 Ge1 Te1",
"formula_reduced": "Ba4GeTe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.134276266111111,
"spacegroup": 216
},
{
"id": "jvasp-85883",
"created_at": "2022-09-04T14:36:12.603451Z",
"updated_at": "2022-09-04T14:36:12.603479Z",
"structure_string": "La2 Ni4\n1.0\n4.522413 -0.000000 2.611017\n1.507471 4.263772 2.611017\n0.000000 0.000000 5.222033\nLa Ni\n2 4\ndirect\n0.125000 0.125000 0.125000 La\n0.874999 0.875000 0.875001 La\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.500001 Ni\n0.500000 0.500000 0.000001 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"La",
"Ni"
],
"chemical_system": "La-Ni",
"density": 8.452998554396132,
"density_atomic": 0.05958644069472921,
"volume": 100.69404935157903,
"volume_molar": 10.106562314826594,
"formula_full": "La2 Ni4",
"formula_reduced": "LaNi2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.0500199333333335,
"spacegroup": 227
},
{
"id": "jvasp-91551",
"created_at": "2022-09-04T14:36:12.606318Z",
"updated_at": "2022-09-04T14:36:12.606335Z",
"structure_string": "Dy2 Ni2 Sb4\n1.0\n4.371087 0.000000 -0.000000\n-0.000000 4.371087 0.000000\n0.000000 -0.000000 9.337098\nDy Ni Sb\n2 2 4\ndirect\n0.750001 0.750001 0.737227 Dy\n0.250000 0.250000 0.262773 Dy\n0.250000 0.750001 0.500000 Ni\n0.750001 0.250000 0.500000 Ni\n0.250000 0.750001 0.000000 Sb\n0.750001 0.250000 0.000000 Sb\n0.750001 0.750001 0.356029 Sb\n0.250000 0.250000 0.643971 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Dy",
"Ni",
"Sb"
],
"chemical_system": "Dy-Ni-Sb",
"density": 8.651142594734187,
"density_atomic": 0.044843465635658455,
"volume": 178.3983438077228,
"volume_molar": 13.429249222012263,
"formula_full": "Dy2 Ni2 Sb4",
"formula_reduced": "DyNiSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.244150275,
"spacegroup": 129
},
{
"id": "jvasp-43763",
"created_at": "2022-09-04T14:36:12.607249Z",
"updated_at": "2022-09-04T14:36:12.607279Z",
"structure_string": "Mn4 P4 O16\n1.0\n4.761225 -0.000000 0.000000\n-0.000000 6.539136 0.000000\n0.000000 0.000000 8.561812\nMn P O\n4 4 16\ndirect\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.537441 0.250000 0.179107 P\n0.962558 0.250000 0.679107 P\n0.037441 0.750000 0.320892 P\n0.462559 0.750000 0.820892 P\n0.770084 0.750000 0.873919 O\n0.428524 0.750000 0.635656 O\n0.729915 0.750000 0.373919 O\n0.071476 0.750000 0.135657 O\n0.314016 0.553965 0.876310 O\n0.185983 0.553965 0.376310 O\n0.814016 0.446036 0.623690 O\n0.571475 0.250000 0.364343 O\n0.928523 0.250000 0.864343 O\n0.270084 0.250000 0.626081 O\n0.185983 0.946036 0.376310 O\n0.229916 0.250000 0.126081 O\n0.814016 0.053965 0.623690 O\n0.685983 0.053965 0.123690 O\n0.685983 0.446036 0.123690 O\n0.314016 0.946036 0.876310 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P",
"density": 3.735366439000909,
"density_atomic": 0.09003398630060827,
"volume": 266.56600452931247,
"volume_molar": 6.688741671276323,
"formula_full": "Mn4 P4 O16",
"formula_reduced": "MnPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.7699511235632186,
"spacegroup": 62
},
{
"id": "jvasp-86170",
"created_at": "2022-09-04T14:36:12.611237Z",
"updated_at": "2022-09-04T14:36:12.611249Z",
"structure_string": "Tl2 Cd1 Ge1 Te4\n1.0\n6.762948 -0.005404 -1.838994\n-3.952689 5.487574 -1.838983\n0.002763 0.005404 7.008521\nTl Cd Ge Te\n2 1 1 4\ndirect\n-0.000001 0.499999 0.500000 Tl\n0.500000 -0.000000 0.500000 Tl\n0.500000 0.500000 0.000000 Cd\n-0.000000 0.000000 -0.000000 Ge\n0.949414 0.949413 0.350853 Te\n0.598561 0.598560 0.649149 Te\n0.401438 0.050586 0.000000 Te\n0.050587 0.401439 0.000000 Te\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Tl",
"Cd",
"Ge",
"Te"
],
"chemical_system": "Cd-Ge-Te-Tl",
"density": 7.049957483416028,
"density_atomic": 0.03075903614057122,
"volume": 260.0861731635338,
"volume_molar": 19.57844430650669,
"formula_full": "Tl2 Cd1 Ge1 Te4",
"formula_reduced": "Tl2CdGeTe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.1512139958333334,
"spacegroup": 121
},
{
"id": "jvasp-66507",
"created_at": "2022-09-04T14:36:12.614081Z",
"updated_at": "2022-09-04T14:36:12.614104Z",
"structure_string": "Ba4 Ga1 W1\n1.0\n-0.000000 4.886255 4.886255\n4.886255 0.000000 4.886255\n4.886255 4.886255 0.000000\nBa Ga W\n4 1 1\ndirect\n0.124841 0.625054 0.625054 Ba\n0.625054 0.625054 0.625054 Ba\n0.625054 0.124841 0.625054 Ba\n0.625054 0.625054 0.124841 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"W"
],
"chemical_system": "Ba-Ga-W",
"density": 5.713950708145478,
"density_atomic": 0.025715375550028723,
"volume": 233.3234445021861,
"volume_molar": 23.418443756670214,
"formula_full": "Ba4 Ga1 W1",
"formula_reduced": "Ba4GaW",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3984977008333332,
"spacegroup": 216
},
{
"id": "jvasp-93296",
"created_at": "2022-09-04T14:36:12.615907Z",
"updated_at": "2022-09-04T14:36:12.615926Z",
"structure_string": "Ti2 Cu3\n1.0\n3.140705 0.000000 -0.000000\n0.000000 3.140705 -0.000000\n-1.570353 -1.570353 7.068587\nTi Cu\n2 3\ndirect\n0.604482 0.604482 0.208961 Ti\n0.395521 0.395521 0.791040 Ti\n0.000000 0.000000 0.000000 Cu\n0.795106 0.795106 0.590209 Cu\n0.204897 0.204897 0.409792 Cu\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ti",
"Cu"
],
"chemical_system": "Cu-Ti",
"density": 6.820131533534872,
"density_atomic": 0.07171055848835638,
"volume": 69.72473936054826,
"volume_molar": 8.397843897670679,
"formula_full": "Ti2 Cu3",
"formula_reduced": "Ti2Cu3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.3428656033333335,
"spacegroup": 139
},
{
"id": "jvasp-99801",
"created_at": "2022-09-04T14:36:12.616307Z",
"updated_at": "2022-09-04T14:36:12.616321Z",
"structure_string": "Li6 Sm2\n1.0\n6.548484 0.000000 -0.000000\n-3.274242 5.671153 0.000000\n0.000000 -0.000000 5.099068\nLi Sm\n6 2\ndirect\n0.700285 0.850142 0.250000 Li\n0.149857 0.299715 0.250000 Li\n0.850142 0.149857 0.750000 Li\n0.149857 0.850142 0.250000 Li\n0.850142 0.700285 0.750000 Li\n0.299715 0.149857 0.750000 Li\n0.333333 0.666667 0.750000 Sm\n0.666667 0.333333 0.250000 Sm\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Li",
"Sm"
],
"chemical_system": "Li-Sm",
"density": 3.0021804171632773,
"density_atomic": 0.04224614141666096,
"volume": 189.36640677070153,
"volume_molar": 14.254889459857273,
"formula_full": "Li6 Sm2",
"formula_reduced": "Li3Sm",
"formula_anonymous": "AB3",
"energy_above_hull": 0.95726721875,
"spacegroup": 194
},
{
"id": "jvasp-63952",
"created_at": "2022-09-04T14:36:12.619377Z",
"updated_at": "2022-09-04T14:36:12.619403Z",
"structure_string": "Ba4 Tl1 P1\n1.0\n0.000000 4.917610 4.917610\n4.917610 -0.000000 4.917610\n4.917610 4.917610 -0.000000\nBa Tl P\n4 1 1\ndirect\n0.128865 0.623711 0.623711 Ba\n0.623711 0.623711 0.623711 Ba\n0.623711 0.128865 0.623711 Ba\n0.623711 0.623711 0.128865 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"P"
],
"chemical_system": "Ba-P-Tl",
"density": 5.4782414258452095,
"density_atomic": 0.025226616496227164,
"volume": 237.84402481788814,
"volume_molar": 23.872169939637594,
"formula_full": "Ba4 Tl1 P1",
"formula_reduced": "Ba4TlP",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3023036633333333,
"spacegroup": 216
},
{
"id": "jvasp-106124",
"created_at": "2022-09-04T14:36:12.619520Z",
"updated_at": "2022-09-04T14:36:12.619544Z",
"structure_string": "Ca1 Dy1 Al4\n1.0\n4.856026 -0.000000 2.803628\n1.618675 4.578306 2.803628\n-0.000000 -0.000000 5.607257\nCa Dy Al\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Dy\n0.625300 0.625300 0.124100 Al\n0.625300 0.124101 0.625300 Al\n0.124101 0.625300 0.625300 Al\n0.625300 0.625300 0.625300 Al\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Dy",
"Al"
],
"chemical_system": "Al-Ca-Dy",
"density": 4.135997154623962,
"density_atomic": 0.048129901072999956,
"volume": 124.66262897361109,
"volume_molar": 12.51226498651234,
"formula_full": "Ca1 Dy1 Al4",
"formula_reduced": "CaDyAl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3530763533333334,
"spacegroup": 216
}
]
}