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=318",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=316",
"results": [
{
"id": "jvasp-64214",
"created_at": "2022-09-04T14:36:09.011801Z",
"updated_at": "2022-09-04T14:36:09.011830Z",
"structure_string": "Ba4 Be1 Hg1\n1.0\n0.000000 5.009961 5.009961\n5.009961 -0.000000 5.009961\n5.009961 5.009961 -0.000000\nBa Be Hg\n4 1 1\ndirect\n0.125166 0.624944 0.624944 Ba\n0.624944 0.624944 0.624944 Ba\n0.624944 0.125166 0.624944 Ba\n0.624944 0.624944 0.125166 Ba\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Be",
"Hg"
],
"chemical_system": "Ba-Be-Hg",
"density": 5.010792815626882,
"density_atomic": 0.023857131223992366,
"volume": 251.49712862232107,
"volume_molar": 25.24251848832404,
"formula_full": "Ba4 Be1 Hg1",
"formula_reduced": "Ba4BeHg",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-44027",
"created_at": "2022-09-04T14:36:17.933096Z",
"updated_at": "2022-09-04T14:36:17.933115Z",
"structure_string": "Li4 Mn4 F16\n1.0\n0.000000 5.762892 0.100605\n4.624870 0.000000 0.000000\n0.000000 -0.173358 -9.955233\nLi Mn F\n4 4 16\ndirect\n0.500008 0.249996 0.000002 Li\n0.499996 0.249997 0.500003 Li\n0.000009 0.750004 0.000002 Li\n-0.000004 0.750003 0.500002 Li\n0.208394 0.249351 0.749337 Mn\n0.791609 0.250649 0.250671 Mn\n0.708394 0.750649 0.749337 Mn\n0.291609 0.749351 0.250670 Mn\n0.448844 0.481056 0.829344 F\n0.510764 0.495399 0.331235 F\n0.010764 0.504601 0.331235 F\n0.948844 0.518944 0.829344 F\n0.279944 0.540926 0.092034 F\n0.726036 0.545176 0.590713 F\n0.273961 0.954829 0.409296 F\n0.551159 0.018942 0.170662 F\n0.051159 0.981058 0.170662 F\n0.989237 -0.004600 0.668774 F\n0.226036 0.454825 0.590713 F\n0.489238 0.004600 0.668773 F\n0.220063 0.040925 0.907971 F\n0.773961 0.045171 0.409296 F\n0.720063 0.959075 0.907972 F\n0.779944 0.459074 0.092034 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.452453532032879,
"density_atomic": 0.09047984484903204,
"volume": 265.2524442326865,
"volume_molar": 6.655781483763701,
"formula_full": "Li4 Mn4 F16",
"formula_reduced": "LiMnF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3435997285632184,
"spacegroup": 14
},
{
"id": "jvasp-66319",
"created_at": "2022-09-04T14:36:17.868363Z",
"updated_at": "2022-09-04T14:36:17.868390Z",
"structure_string": "Ba4 Sb1 P1\n1.0\n-0.000000 4.839436 4.839436\n4.839436 -0.000000 4.839436\n4.839436 4.839436 -0.000000\nBa Sb P\n4 1 1\ndirect\n0.125570 0.624810 0.624810 Ba\n0.624810 0.624810 0.624810 Ba\n0.624810 0.125570 0.624810 Ba\n0.624810 0.624810 0.125570 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"P"
],
"chemical_system": "Ba-P-Sb",
"density": 5.1427782307078465,
"density_atomic": 0.026468967594115145,
"volume": 226.68054500674904,
"volume_molar": 22.7517024930693,
"formula_full": "Ba4 Sb1 P1",
"formula_reduced": "Ba4SbP",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.67999758,
"spacegroup": 216
},
{
"id": "jvasp-94418",
"created_at": "2022-09-04T14:36:20.778238Z",
"updated_at": "2022-09-04T14:36:20.778260Z",
"structure_string": "Na1 Al1 Si4\n1.0\n4.398874 0.000000 0.000000\n0.000000 4.398874 0.000000\n0.000000 0.000000 6.051343\nNa Al Si\n1 1 4\ndirect\n0.000000 0.500000 0.339375 Na\n0.500000 0.000000 0.661883 Al\n0.000000 0.000000 0.992697 Si\n0.000000 0.500000 0.797111 Si\n0.500000 0.500000 0.992697 Si\n0.500000 0.000000 0.216235 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Al",
"Si"
],
"chemical_system": "Al-Na-Si",
"density": 2.30180437502009,
"density_atomic": 0.05124086299834387,
"volume": 117.09404660483418,
"volume_molar": 11.752613846871858,
"formula_full": "Na1 Al1 Si4",
"formula_reduced": "NaAlSi4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.551989366666666,
"spacegroup": 99
},
{
"id": "jvasp-66632",
"created_at": "2022-09-04T14:36:18.094555Z",
"updated_at": "2022-09-04T14:36:18.094574Z",
"structure_string": "Ba4 Co1 Tc1\n1.0\n-0.000000 4.783720 4.783720\n4.783720 0.000000 4.783720\n4.783720 4.783720 0.000000\nBa Co Tc\n4 1 1\ndirect\n0.125338 0.624887 0.624887 Ba\n0.624887 0.624887 0.624887 Ba\n0.624887 0.125338 0.624887 Ba\n0.624887 0.624887 0.125338 Ba\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Co",
"Tc"
],
"chemical_system": "Ba-Co-Tc",
"density": 5.356423332383404,
"density_atomic": 0.027404633587460297,
"volume": 218.94107727626965,
"volume_molar": 21.974899758395555,
"formula_full": "Ba4 Co1 Tc1",
"formula_reduced": "Ba4CoTc",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.693107713333333,
"spacegroup": 216
},
{
"id": "jvasp-64289",
"created_at": "2022-09-04T14:36:09.445101Z",
"updated_at": "2022-09-04T14:36:09.445126Z",
"structure_string": "Ba4 Sn1 Br1\n1.0\n0.000000 5.013732 5.013732\n5.013732 0.000000 5.013732\n5.013732 5.013732 -0.000000\nBa Sn Br\n4 1 1\ndirect\n0.122491 0.625836 0.625836 Ba\n0.625836 0.625836 0.625836 Ba\n0.625836 0.122491 0.625836 Ba\n0.625836 0.625836 0.122491 Ba\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"Br"
],
"chemical_system": "Ba-Br-Sn",
"density": 4.927107779317412,
"density_atomic": 0.023803340399395436,
"volume": 252.0654622135467,
"volume_molar": 25.299561569740657,
"formula_full": "Ba4 Sn1 Br1",
"formula_reduced": "Ba4SnBr",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0667469899999999,
"spacegroup": 216
},
{
"id": "jvasp-85908",
"created_at": "2022-09-04T14:36:17.904807Z",
"updated_at": "2022-09-04T14:36:17.904822Z",
"structure_string": "B1 As1 O4\n1.0\n3.946168 -0.000000 -2.163119\n-1.185728 3.763813 -2.163119\n0.001003 0.001368 4.682877\nB As O\n1 1 4\ndirect\n0.249999 0.750000 0.500000 B\n0.000000 0.000000 0.000000 As\n0.145136 0.702769 0.733439 O\n0.297231 0.411697 0.266561 O\n0.588303 0.030670 0.733440 O\n0.969330 0.854862 0.266560 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"B",
"As",
"O"
],
"chemical_system": "As-B-O",
"density": 3.573521139682204,
"density_atomic": 0.08623609927498445,
"volume": 69.57643087342765,
"volume_molar": 6.983317671636518,
"formula_full": "B1 As1 O4",
"formula_reduced": "BAsO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.7488313888888896,
"spacegroup": 82
},
{
"id": "jvasp-66604",
"created_at": "2022-09-04T14:36:20.736634Z",
"updated_at": "2022-09-04T14:36:20.736662Z",
"structure_string": "Ba4 Mn1 Cr1\n1.0\n-0.000000 4.862634 4.862634\n4.862634 -0.000000 4.862634\n4.862634 4.862634 -0.000000\nBa Mn Cr\n4 1 1\ndirect\n0.124814 0.625062 0.625062 Ba\n0.625062 0.625062 0.625062 Ba\n0.625062 0.124814 0.625062 Ba\n0.625062 0.625062 0.124814 Ba\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Cr\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"Cr"
],
"chemical_system": "Ba-Cr-Mn",
"density": 4.738801014119455,
"density_atomic": 0.026091948194384994,
"volume": 229.9559985057461,
"volume_molar": 23.080456526799214,
"formula_full": "Ba4 Mn1 Cr1",
"formula_reduced": "Ba4MnCr",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.790764753563218,
"spacegroup": 216
},
{
"id": "jvasp-64890",
"created_at": "2022-09-04T14:36:17.837015Z",
"updated_at": "2022-09-04T14:36:17.837040Z",
"structure_string": "Be1 Cu4 Rh1\n1.0\n0.000000 3.336980 3.336980\n3.336980 0.000000 3.336980\n3.336980 3.336980 -0.000000\nBe Cu Rh\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.374755 0.374755 0.374755 Cu\n0.374755 0.875736 0.374755 Cu\n0.374755 0.374755 0.875736 Cu\n0.875736 0.374755 0.374755 Cu\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Cu",
"Rh"
],
"chemical_system": "Be-Cu-Rh",
"density": 8.180126405289082,
"density_atomic": 0.08073473860346947,
"volume": 74.31745124572879,
"volume_molar": 7.459169205436935,
"formula_full": "Be1 Cu4 Rh1",
"formula_reduced": "BeCu4Rh",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.5936684833333336,
"spacegroup": 216
},
{
"id": "jvasp-64215",
"created_at": "2022-09-04T14:36:09.546287Z",
"updated_at": "2022-09-04T14:36:09.546312Z",
"structure_string": "Ba4 Mg1 Pb1\n1.0\n0.000000 5.106914 5.106914\n5.106914 -0.000000 5.106914\n5.106914 5.106914 -0.000000\nBa Mg Pb\n4 1 1\ndirect\n0.121747 0.626084 0.626084 Ba\n0.626084 0.626084 0.626084 Ba\n0.626084 0.121747 0.626084 Ba\n0.626084 0.626084 0.121747 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Pb"
],
"chemical_system": "Ba-Mg-Pb",
"density": 4.867326771768613,
"density_atomic": 0.022524005328781533,
"volume": 266.3824622849429,
"volume_molar": 26.73654473125529,
"formula_full": "Ba4 Mg1 Pb1",
"formula_reduced": "Ba4MgPb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-86124",
"created_at": "2022-09-04T14:36:21.318646Z",
"updated_at": "2022-09-04T14:36:21.318681Z",
"structure_string": "Lu1 Ni4 Sn1\n1.0\n4.284492 0.000000 2.473653\n1.428164 4.039457 2.473653\n0.000000 0.000000 4.947304\nLu Ni Sn\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.624876 0.624877 0.125369 Ni\n0.624876 0.125369 0.624876 Ni\n0.125368 0.624877 0.624876 Ni\n0.624876 0.624877 0.624876 Ni\n0.250000 0.250000 0.250000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Lu",
"Ni",
"Sn"
],
"chemical_system": "Lu-Ni-Sn",
"density": 10.248553429008409,
"density_atomic": 0.07007455155565853,
"volume": 85.62309521502031,
"volume_molar": 8.59390552819558,
"formula_full": "Lu1 Ni4 Sn1",
"formula_reduced": "LuNi4Sn",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.020451175,
"spacegroup": 216
},
{
"id": "jvasp-64227",
"created_at": "2022-09-04T14:36:17.757107Z",
"updated_at": "2022-09-04T14:36:17.757153Z",
"structure_string": "Ba4 Sc1 Pd1\n1.0\n-0.000000 4.978537 4.978537\n4.978537 0.000000 4.978537\n4.978537 4.978537 -0.000000\nBa Sc Pd\n4 1 1\ndirect\n0.127387 0.624205 0.624205 Ba\n0.624205 0.624205 0.624205 Ba\n0.624205 0.127387 0.624205 Ba\n0.624205 0.624205 0.127387 Ba\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Pd"
],
"chemical_system": "Ba-Pd-Sc",
"density": 4.7145042382080335,
"density_atomic": 0.02431173971003075,
"volume": 246.79435003676303,
"volume_molar": 24.770505244901635,
"formula_full": "Ba4 Sc1 Pd1",
"formula_reduced": "Ba4ScPd",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7205958049999999,
"spacegroup": 216
}
]
}