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=-volume_molar&page=259",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=257",
"results": [
{
"id": "jvasp-86303",
"created_at": "2022-09-04T14:36:19.827812Z",
"updated_at": "2022-09-04T14:36:19.827842Z",
"structure_string": "K2 Tm2 I6\n1.0\n4.125610 -0.000000 -0.000000\n-2.062805 7.764177 0.000000\n0.000000 -0.000000 11.446424\nK Tm I\n2 2 6\ndirect\n0.256049 0.512097 0.750000 K\n0.743952 0.487904 0.250000 K\n0.000000 0.000000 0.000000 Tm\n0.000000 0.000000 0.500000 Tm\n0.360383 0.720765 0.445659 I\n0.360383 0.720765 0.054341 I\n0.639618 0.279235 0.554341 I\n0.639618 0.279235 0.945658 I\n0.939332 0.878663 0.750000 I\n0.060669 0.121338 0.250000 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Tm",
"I"
],
"chemical_system": "I-K-Tm",
"density": 5.3327788762974135,
"density_atomic": 0.027273857835070702,
"volume": 366.6514675141144,
"volume_molar": 22.080267472305643,
"formula_full": "K2 Tm2 I6",
"formula_reduced": "KTmI3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.999999999779956e-06,
"spacegroup": 63
},
{
"id": "jvasp-102308",
"created_at": "2022-09-04T14:36:43.433368Z",
"updated_at": "2022-09-04T14:36:43.433397Z",
"structure_string": "La2 As1 I2\n1.0\n4.398205 0.000000 0.000000\n-2.199103 3.808957 0.000000\n-0.000000 -0.000000 10.942783\nLa As I\n2 1 2\ndirect\n0.333334 0.666667 0.152059 La\n0.666666 0.333334 0.847941 La\n0.000000 0.000000 0.000000 As\n0.333334 0.666667 0.655672 I\n0.666666 0.333334 0.344328 I\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"As",
"I"
],
"chemical_system": "As-I-La",
"density": 5.494147052290755,
"density_atomic": 0.027274743778832735,
"volume": 183.31977893337273,
"volume_molar": 22.07955025657707,
"formula_full": "La2 As1 I2",
"formula_reduced": "La2AsI2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.82668686,
"spacegroup": 164
},
{
"id": "jvasp-66647",
"created_at": "2022-09-04T14:35:58.859544Z",
"updated_at": "2022-09-04T14:35:58.859570Z",
"structure_string": "Ba4 Nb1 Ru1\n1.0\n-0.000000 4.791092 4.791092\n4.791092 -0.000000 4.791092\n4.791092 4.791092 0.000000\nBa Nb Ru\n4 1 1\ndirect\n0.123474 0.625508 0.625508 Ba\n0.625508 0.625508 0.625508 Ba\n0.625508 0.123474 0.625508 Ba\n0.625508 0.625508 0.123474 Ba\n0.250000 0.250000 0.250000 Nb\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Nb",
"Ru"
],
"chemical_system": "Ba-Nb-Ru",
"density": 5.611391589583344,
"density_atomic": 0.027278326519087386,
"volume": 219.95484201721968,
"volume_molar": 22.076650324520987,
"formula_full": "Ba4 Nb1 Ru1",
"formula_reduced": "Ba4NbRu",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.9120672966666663,
"spacegroup": 216
},
{
"id": "jvasp-3039",
"created_at": "2022-09-04T14:36:56.194285Z",
"updated_at": "2022-09-04T14:36:56.194320Z",
"structure_string": "Ba4 Sb2 O1\n1.0\n5.113683 -0.000000 -1.401941\n-0.384348 5.099218 -1.401941\n-0.043997 -0.047437 9.866756\nBa Sb O\n4 2 1\ndirect\n0.670423 0.670424 0.340849 Ba\n0.329576 0.329576 0.659152 Ba\n-0.000000 0.500000 0.000000 Ba\n0.500000 0.000000 -0.000000 Ba\n0.862290 0.862291 0.724581 Sb\n0.137709 0.137709 0.275419 Sb\n0.500000 0.500000 0.000000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"O"
],
"chemical_system": "Ba-O-Sb",
"density": 5.234109737247725,
"density_atomic": 0.027279468921700318,
"volume": 256.6032359387916,
"volume_molar": 22.07572580421277,
"formula_full": "Ba4 Sb2 O1",
"formula_reduced": "Ba4Sb2O",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.5243285114285714,
"spacegroup": 139
},
{
"id": "jvasp-66169",
"created_at": "2022-09-04T14:35:49.107580Z",
"updated_at": "2022-09-04T14:35:49.107609Z",
"structure_string": "Ba4 In1 Re1\n1.0\n0.000000 4.790918 4.790918\n4.790918 -0.000000 4.790918\n4.790918 4.790918 -0.000000\nBa In Re\n4 1 1\ndirect\n0.122574 0.625809 0.625809 Ba\n0.625809 0.625809 0.625809 Ba\n0.625809 0.122574 0.625809 Ba\n0.625809 0.625809 0.122574 Ba\n0.250000 0.250000 0.250000 In\n0.000000 0.000000 0.000000 Re\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"In",
"Re"
],
"chemical_system": "Ba-In-Re",
"density": 6.420249747911742,
"density_atomic": 0.027281298768581506,
"volume": 219.93087832423495,
"volume_molar": 22.074245112316262,
"formula_full": "Ba4 In1 Re1",
"formula_reduced": "Ba4InRe",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.201021975,
"spacegroup": 216
},
{
"id": "jvasp-66295",
"created_at": "2022-09-04T14:35:50.123082Z",
"updated_at": "2022-09-04T14:35:50.123115Z",
"structure_string": "Ba4 Tc1 Pd1\n1.0\n0.000000 4.790872 4.790872\n4.790872 0.000000 4.790872\n4.790872 4.790872 0.000000\nBa Tc Pd\n4 1 1\ndirect\n0.125379 0.624873 0.624873 Ba\n0.624873 0.624873 0.624873 Ba\n0.624873 0.125379 0.624873 Ba\n0.624873 0.624873 0.125379 Ba\n0.000000 0.000000 0.000000 Tc\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tc",
"Pd"
],
"chemical_system": "Ba-Pd-Tc",
"density": 5.691019157392388,
"density_atomic": 0.02728208460785636,
"volume": 219.9245433859623,
"volume_molar": 22.07360928081653,
"formula_full": "Ba4 Tc1 Pd1",
"formula_reduced": "Ba4TcPd",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3214585133333332,
"spacegroup": 216
},
{
"id": "jvasp-69226",
"created_at": "2022-09-04T14:36:17.532831Z",
"updated_at": "2022-09-04T14:36:17.532869Z",
"structure_string": "Ba2 Sr1 W1\n1.0\n-0.000000 4.185137 4.185137\n4.185137 -0.000000 4.185137\n4.185137 4.185137 -0.000000\nBa Sr W\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"W"
],
"chemical_system": "Ba-Sr-W",
"density": 6.18547953682134,
"density_atomic": 0.027283555046536404,
"volume": 146.60846041424475,
"volume_molar": 22.072419630536743,
"formula_full": "Ba2 Sr1 W1",
"formula_reduced": "Ba2SrW",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0033920625,
"spacegroup": 225
},
{
"id": "jvasp-104854",
"created_at": "2022-09-04T14:36:47.648793Z",
"updated_at": "2022-09-04T14:36:47.648825Z",
"structure_string": "Yb3 La1\n1.0\n5.125658 -0.000000 2.959300\n1.708553 4.832517 2.959300\n-0.000000 -0.000000 5.918600\nYb La\n3 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 La\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"La"
],
"chemical_system": "La-Yb",
"density": 7.453320486188095,
"density_atomic": 0.027284624780695866,
"volume": 146.60271241223145,
"volume_molar": 22.071554248606425,
"formula_full": "Yb3 La1",
"formula_reduced": "LaYb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-66636",
"created_at": "2022-09-04T14:36:20.027354Z",
"updated_at": "2022-09-04T14:36:20.027378Z",
"structure_string": "Ba4 Re1 Se1\n1.0\n0.000000 4.790712 4.790712\n4.790712 0.000000 4.790712\n4.790712 4.790712 0.000000\nBa Re Se\n4 1 1\ndirect\n0.125902 0.624699 0.624699 Ba\n0.624699 0.624699 0.624699 Ba\n0.624699 0.125902 0.624699 Ba\n0.624699 0.624699 0.125902 Ba\n0.250000 0.250000 0.250000 Re\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Re",
"Se"
],
"chemical_system": "Ba-Re-Se",
"density": 6.150305231674381,
"density_atomic": 0.02728481819692961,
"volume": 219.90250976549245,
"volume_molar": 22.071397788084504,
"formula_full": "Ba4 Re1 Se1",
"formula_reduced": "Ba4ReSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.5078842077777777,
"spacegroup": 216
},
{
"id": "jvasp-78747",
"created_at": "2022-09-04T14:37:01.560276Z",
"updated_at": "2022-09-04T14:37:01.560302Z",
"structure_string": "Sr1 Ca1 Sn1\n1.0\n4.656906 -0.000000 2.688666\n1.552302 4.390572 2.688666\n-0.000000 -0.000000 5.377330\nSr Ca Sn\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500001 Sn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Sn"
],
"chemical_system": "Ca-Sn-Sr",
"density": 3.7215052551442294,
"density_atomic": 0.0272857559332122,
"volume": 109.94747616093723,
"volume_molar": 22.070639254930278,
"formula_full": "Sr1 Ca1 Sn1",
"formula_reduced": "SrCaSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-65762",
"created_at": "2022-09-04T14:36:16.299042Z",
"updated_at": "2022-09-04T14:36:16.299064Z",
"structure_string": "Ba2 Sr1 Co1\n1.0\n0.000000 4.184844 4.184844\n4.184844 0.000000 4.184844\n4.184844 4.184844 -0.000000\nBa Sr Co\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Co"
],
"chemical_system": "Ba-Co-Sr",
"density": 4.771743198148072,
"density_atomic": 0.027289286185864743,
"volume": 146.57767054646936,
"volume_molar": 22.067784107593614,
"formula_full": "Ba2 Sr1 Co1",
"formula_reduced": "Ba2SrCo",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7039522875,
"spacegroup": 225
},
{
"id": "jvasp-66577",
"created_at": "2022-09-04T14:35:55.969798Z",
"updated_at": "2022-09-04T14:35:55.969821Z",
"structure_string": "Ba4 Ga1 Tc1\n1.0\n0.000000 4.790424 4.790424\n4.790424 0.000000 4.790424\n4.790424 4.790424 0.000000\nBa Ga Tc\n4 1 1\ndirect\n0.123607 0.625464 0.625464 Ba\n0.625464 0.625464 0.625464 Ba\n0.625464 0.123607 0.625464 Ba\n0.625464 0.625464 0.123607 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Tc"
],
"chemical_system": "Ba-Ga-Tc",
"density": 5.415457733983034,
"density_atomic": 0.02728973957763057,
"volume": 219.86285295731466,
"volume_molar": 22.067417473402184,
"formula_full": "Ba4 Ga1 Tc1",
"formula_reduced": "Ba4GaTc",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9289446174999998,
"spacegroup": 216
}
]
}