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=4337",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=4335",
"results": [
{
"id": "jvasp-66102",
"created_at": "2022-09-04T14:35:50.861784Z",
"updated_at": "2022-09-04T14:35:50.861810Z",
"structure_string": "Ba1 Na1 Y1\n1.0\n-0.000000 4.077554 4.077554\n4.077554 -0.000000 4.077554\n4.077554 4.077554 0.000000\nBa Na Y\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Y\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Y"
],
"chemical_system": "Ba-Na-Y",
"density": 3.0521606873092,
"density_atomic": 0.022125449135275938,
"volume": 135.59046786611526,
"volume_molar": 27.218162773466762,
"formula_full": "Ba1 Na1 Y1",
"formula_reduced": "BaNaY",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8602168066666667,
"spacegroup": 216
},
{
"id": "jvasp-48750",
"created_at": "2022-09-04T14:35:50.857550Z",
"updated_at": "2022-09-04T14:35:50.857581Z",
"structure_string": "Li2 V2 F6\n1.0\n5.189718 0.000299 -0.000202\n2.594457 4.494406 0.000125\n2.594484 1.497885 4.706417\nLi V F\n2 2 6\ndirect\n0.202276 0.202275 0.393192 Li\n0.702269 0.702279 0.893193 Li\n0.493773 0.493767 0.518683 V\n0.993766 0.993776 0.018684 V\n0.403128 0.079647 0.741176 F\n0.276041 0.579661 0.241175 F\n0.903131 0.276044 0.241175 F\n0.776047 0.403125 0.741173 F\n0.079655 0.776037 0.741178 F\n0.579645 0.903129 0.241177 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.4755254323123936,
"density_atomic": 0.09109732187582752,
"volume": 109.77271114106681,
"volume_molar": 6.6106671809832465,
"formula_full": "Li2 V2 F6",
"formula_reduced": "LiVF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.4188570095,
"spacegroup": 161
},
{
"id": "jvasp-15445",
"created_at": "2022-09-04T14:35:50.857526Z",
"updated_at": "2022-09-04T14:35:50.857557Z",
"structure_string": "Ba1 Pr1 O3\n1.0\n4.581324 -0.000000 -0.000000\n-0.000000 4.581324 0.000000\n-0.000000 -0.000000 4.581324\nBa Pr O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Pr\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Pr",
"O"
],
"chemical_system": "Ba-O-Pr",
"density": 5.633830370485922,
"density_atomic": 0.05199923845920768,
"volume": 96.1552543490112,
"volume_molar": 11.581209530066953,
"formula_full": "Ba1 Pr1 O3",
"formula_reduced": "BaPrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.3072652640000002,
"spacegroup": 221
},
{
"id": "jvasp-2023",
"created_at": "2022-09-04T14:35:50.857504Z",
"updated_at": "2022-09-04T14:35:50.857532Z",
"structure_string": "Tl1 Bi1 Te2\n1.0\n4.425057 0.020327 7.062144\n2.045061 3.924191 7.062144\n0.033342 0.020327 8.333901\nTl Bi Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500001 0.499999 Bi\n0.758090 0.758092 0.758089 Te\n0.241909 0.241910 0.241909 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Bi",
"Te"
],
"chemical_system": "Bi-Te-Tl",
"density": 7.7575594763359526,
"density_atomic": 0.0279507338712595,
"volume": 143.10894370158283,
"volume_molar": 21.545555074646177,
"formula_full": "Tl1 Bi1 Te2",
"formula_reduced": "TlBiTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4422581083333333,
"spacegroup": 166
},
{
"id": "jvasp-74850",
"created_at": "2022-09-04T14:35:50.856883Z",
"updated_at": "2022-09-04T14:35:50.856906Z",
"structure_string": "Be2 Cd1 Ru1\n1.0\n2.933502 0.000000 0.000000\n0.000000 2.933502 0.000000\n-0.000000 0.000000 6.005329\nBe Cd Ru\n2 1 1\ndirect\n0.000000 0.000000 -0.001701 Be\n0.500000 0.500000 0.192312 Be\n0.000000 0.000000 0.485951 Cd\n0.500000 0.500000 0.823438 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cd",
"Ru"
],
"chemical_system": "Be-Cd-Ru",
"density": 7.438760447293215,
"density_atomic": 0.07740168389187092,
"volume": 51.67846226172475,
"volume_molar": 7.7803743500113605,
"formula_full": "Be2 Cd1 Ru1",
"formula_reduced": "Be2CdRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6005656124999998,
"spacegroup": 99
},
{
"id": "jvasp-96801",
"created_at": "2022-09-04T14:35:50.855728Z",
"updated_at": "2022-09-04T14:35:50.855752Z",
"structure_string": "Hg4 Se4 O12\n1.0\n4.275964 -0.040075 0.000000\n-1.596405 7.264970 0.000000\n0.000000 0.000000 10.386680\nHg Se O\n4 4 12\ndirect\n0.091977 0.403899 0.828043 Hg\n0.908023 0.596100 0.171957 Hg\n0.908023 0.096100 0.328043 Hg\n0.091977 0.903899 0.671957 Hg\n0.345504 0.679155 0.424425 Se\n0.345503 0.179155 0.075575 Se\n0.654496 0.820845 0.924425 Se\n0.654496 0.320845 0.575575 Se\n0.500729 0.276204 0.216303 O\n0.161537 0.857792 0.475652 O\n0.838463 0.642207 0.975652 O\n0.988799 0.478378 0.638041 O\n0.011200 0.021621 0.138041 O\n0.499270 0.223795 0.716303 O\n0.011201 0.521621 0.361959 O\n0.500730 0.776204 0.283697 O\n0.988800 0.978378 0.861959 O\n0.838463 0.142207 0.524348 O\n0.161536 0.357792 0.024348 O\n0.499271 0.723795 0.783697 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Hg",
"Se",
"O"
],
"chemical_system": "Hg-O-Se",
"density": 6.756705866780612,
"density_atomic": 0.062112742212798285,
"volume": 321.9951218943126,
"volume_molar": 9.695499740404543,
"formula_full": "Hg4 Se4 O12",
"formula_reduced": "HgSeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.3536556933333332,
"spacegroup": 14
},
{
"id": "jvasp-92163",
"created_at": "2022-09-04T14:35:50.847513Z",
"updated_at": "2022-09-04T14:35:50.847531Z",
"structure_string": "Ca6 Zn2\n1.0\n7.114953 -0.000000 0.000000\n-3.557476 6.161730 -0.000000\n-0.000000 0.000000 5.628555\nCa Zn\n6 2\ndirect\n0.653813 0.826908 0.750001 Ca\n0.173092 0.346186 0.750001 Ca\n0.173092 0.826908 0.750001 Ca\n0.826907 0.653814 0.250000 Ca\n0.826907 0.173092 0.250000 Ca\n0.346186 0.173092 0.250000 Ca\n0.666667 0.333333 0.750001 Zn\n0.333332 0.666667 0.250000 Zn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ca",
"Zn"
],
"chemical_system": "Ca-Zn",
"density": 2.4985385656102985,
"density_atomic": 0.032420400320170385,
"volume": 246.75821152716586,
"volume_molar": 18.575158543780596,
"formula_full": "Ca6 Zn2",
"formula_reduced": "Ca3Zn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0292175,
"spacegroup": 194
},
{
"id": "jvasp-97317",
"created_at": "2022-09-04T14:35:50.845627Z",
"updated_at": "2022-09-04T14:35:50.845654Z",
"structure_string": "Th14 Rh6\n1.0\n10.030290 -0.000000 -0.000000\n-5.015145 8.686486 0.000000\n0.000000 -0.000000 6.301114\nTh Rh\n14 6\ndirect\n0.085869 0.542935 0.290849 Th\n0.127402 0.872598 0.997011 Th\n0.254805 0.127402 0.497012 Th\n0.872597 0.745196 0.497012 Th\n0.127402 0.254805 0.997011 Th\n0.457065 0.542935 0.290849 Th\n0.914131 0.457066 0.790849 Th\n0.542935 0.085869 0.790849 Th\n0.457065 0.914131 0.290849 Th\n0.333333 0.666667 0.821492 Th\n0.542935 0.457066 0.790849 Th\n0.872598 0.127402 0.497012 Th\n0.745195 0.872598 0.997011 Th\n0.666667 0.333333 0.321493 Th\n0.813700 0.186300 0.052308 Rh\n0.627400 0.813700 0.552307 Rh\n0.186300 0.372600 0.552307 Rh\n0.813700 0.627400 0.052308 Rh\n0.372600 0.186300 0.052308 Rh\n0.186300 0.813700 0.552307 Rh\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Th",
"Rh"
],
"chemical_system": "Rh-Th",
"density": 11.693167181860979,
"density_atomic": 0.0364296538759454,
"volume": 549.0032946265804,
"volume_molar": 16.530875589725095,
"formula_full": "Th14 Rh6",
"formula_reduced": "Th7Rh3",
"formula_anonymous": "A3B7",
"energy_above_hull": 3.80459482,
"spacegroup": 186
},
{
"id": "jvasp-71869",
"created_at": "2022-09-04T14:35:50.844409Z",
"updated_at": "2022-09-04T14:35:50.844433Z",
"structure_string": "Be2 Mo1 P1\n1.0\n2.584595 -0.000000 0.000000\n-0.000000 2.584595 -0.000000\n0.000000 -0.000000 7.442915\nBe Mo P\n2 1 1\ndirect\n0.000000 0.000000 0.752472 Be\n0.000000 0.000000 0.247527 Be\n0.499999 0.499999 0.000000 Mo\n0.499999 0.499999 0.500000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Mo",
"P"
],
"chemical_system": "Be-Mo-P",
"density": 4.840649976355586,
"density_atomic": 0.08045108997084176,
"volume": 49.71964955912639,
"volume_molar": 7.4854682045732766,
"formula_full": "Be2 Mo1 P1",
"formula_reduced": "Be2MoP",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.2482508999999995,
"spacegroup": 123
},
{
"id": "jvasp-93516",
"created_at": "2022-09-04T14:35:50.842036Z",
"updated_at": "2022-09-04T14:35:50.842054Z",
"structure_string": "Mo1 W1 Se2 S2\n1.0\n3.259055 0.000058 -0.001054\n-1.629486 2.822449 -0.000097\n0.005845 0.000186 12.969055\nMo W Se S\n1 1 2 2\ndirect\n0.666060 0.333855 0.550921 Mo\n0.333940 0.666147 0.050948 W\n0.667279 0.332676 0.919223 Se\n0.667279 0.332947 0.182672 Se\n0.332715 0.667313 0.670116 S\n0.332728 0.667067 0.431724 S\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 6.985139214750719,
"density_atomic": 0.05029451199883822,
"volume": 119.29731021425553,
"volume_molar": 11.973753239993876,
"formula_full": "Mo1 W1 Se2 S2",
"formula_reduced": "MoW(SeS)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.673592105555556,
"spacegroup": 187
},
{
"id": "jvasp-50936",
"created_at": "2022-09-04T14:35:50.837151Z",
"updated_at": "2022-09-04T14:35:50.837180Z",
"structure_string": "K1 Nd1 O2\n1.0\n1.816172 1.048568 6.233631\n-1.816172 1.048568 6.233631\n-0.000000 -2.097135 6.233631\nK Nd O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500001 0.500001 0.499999 Nd\n0.231418 0.231418 0.231417 O\n0.768583 0.768583 0.768580 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Nd",
"O"
],
"chemical_system": "K-Nd-O",
"density": 5.0202600289161,
"density_atomic": 0.056158333635428416,
"volume": 71.2271846591355,
"volume_molar": 10.723503298895666,
"formula_full": "K1 Nd1 O2",
"formula_reduced": "KNdO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6675291250000002,
"spacegroup": 166
},
{
"id": "jvasp-86250",
"created_at": "2022-09-04T14:35:50.836668Z",
"updated_at": "2022-09-04T14:35:50.836686Z",
"structure_string": "Ca4 Cd4 Au4\n1.0\n4.337940 0.000000 0.000000\n-0.000000 7.374524 0.000000\n0.000000 0.000000 8.905117\nCa Cd Au\n4 4 4\ndirect\n0.250000 0.547178 0.817705 Ca\n0.750000 0.952821 0.317705 Ca\n0.750000 0.452821 0.182295 Ca\n0.250000 0.047178 0.682296 Ca\n0.750000 0.359156 0.559787 Cd\n0.250000 0.640843 0.440213 Cd\n0.250000 0.140843 0.059787 Cd\n0.750000 0.859156 0.940213 Cd\n0.250000 0.742071 0.130035 Au\n0.250000 0.242072 0.369966 Au\n0.750000 0.257928 0.869966 Au\n0.750000 0.757928 0.630035 Au\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Cd",
"Au"
],
"chemical_system": "Au-Ca-Cd",
"density": 8.14786623887781,
"density_atomic": 0.042123464400532135,
"volume": 284.8768535725757,
"volume_molar": 14.296404262332997,
"formula_full": "Ca4 Cd4 Au4",
"formula_reduced": "CaCdAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0080853333333333,
"spacegroup": 62
}
]
}