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_full&page=440",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=438",
"results": [
{
"id": "jvasp-64752",
"created_at": "2022-09-04T14:36:04.597932Z",
"updated_at": "2022-09-04T14:36:04.597953Z",
"structure_string": "Ba4 Mo1 Br1\n1.0\n0.000000 5.072560 5.072560\n5.072560 0.000000 5.072560\n5.072560 5.072560 0.000000\nBa Mo Br\n4 1 1\ndirect\n0.123762 0.625413 0.625413 Ba\n0.625413 0.625413 0.625413 Ba\n0.625413 0.123762 0.625413 Ba\n0.625413 0.625413 0.123762 Ba\n0.000000 0.000000 0.000000 Mo\n0.250000 0.250000 0.250000 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"Br"
],
"chemical_system": "Ba-Br-Mo",
"density": 4.612820687319478,
"density_atomic": 0.02298474429301252,
"volume": 261.0427126580665,
"volume_molar": 26.200599333318504,
"formula_full": "Ba4 Mo1 Br1",
"formula_reduced": "Ba4MoBr",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.0338673141666663,
"spacegroup": 216
},
{
"id": "jvasp-64715",
"created_at": "2022-09-04T14:35:42.221295Z",
"updated_at": "2022-09-04T14:35:42.221325Z",
"structure_string": "Ba4 Mo1 Cl1\n1.0\n0.000000 4.883512 4.883512\n4.883512 0.000000 4.883512\n4.883512 4.883512 0.000000\nBa Mo Cl\n4 1 1\ndirect\n0.122624 0.625791 0.625791 Ba\n0.625791 0.625791 0.625791 Ba\n0.625791 0.122624 0.625791 Ba\n0.625791 0.625791 0.122624 Ba\n0.000000 0.000000 0.000000 Mo\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"Cl"
],
"chemical_system": "Ba-Cl-Mo",
"density": 4.852647139767155,
"density_atomic": 0.025758731787720156,
"volume": 232.9307222671713,
"volume_molar": 23.37902661368953,
"formula_full": "Ba4 Mo1 Cl1",
"formula_reduced": "Ba4MoCl",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.08720064125,
"spacegroup": 216
},
{
"id": "jvasp-66597",
"created_at": "2022-09-04T14:36:16.749559Z",
"updated_at": "2022-09-04T14:36:16.749601Z",
"structure_string": "Ba4 Mo1 Ir1\n1.0\n-0.000000 4.712198 4.712198\n4.712198 0.000000 4.712198\n4.712198 4.712198 -0.000000\nBa Mo Ir\n4 1 1\ndirect\n0.126691 0.624436 0.624436 Ba\n0.624436 0.624436 0.624436 Ba\n0.624436 0.126691 0.624436 Ba\n0.624436 0.624436 0.126691 Ba\n0.000000 0.000000 0.000000 Mo\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"Ir"
],
"chemical_system": "Ba-Ir-Mo",
"density": 6.645308933921945,
"density_atomic": 0.02867151640314033,
"volume": 209.26692246186298,
"volume_molar": 21.003914391289076,
"formula_full": "Ba4 Mo1 Ir1",
"formula_reduced": "Ba4MoIr",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.015630146666666,
"spacegroup": 216
},
{
"id": "jvasp-66579",
"created_at": "2022-09-04T14:35:58.210664Z",
"updated_at": "2022-09-04T14:35:58.210678Z",
"structure_string": "Ba4 Mo1 P1\n1.0\n0.000000 4.859507 4.859507\n4.859507 -0.000000 4.859507\n4.859507 4.859507 -0.000000\nBa Mo P\n4 1 1\ndirect\n0.122729 0.625757 0.625757 Ba\n0.625757 0.625757 0.625757 Ba\n0.625757 0.122729 0.625757 Ba\n0.625757 0.625757 0.122729 Ba\n0.250000 0.250000 0.250000 Mo\n0.000000 0.000000 0.000000 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"P"
],
"chemical_system": "Ba-Mo-P",
"density": 4.8925087230837825,
"density_atomic": 0.02614234962475548,
"volume": 229.51265231026917,
"volume_molar": 23.03595830688967,
"formula_full": "Ba4 Mo1 P1",
"formula_reduced": "Ba4MoP",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.6470458799999996,
"spacegroup": 216
},
{
"id": "jvasp-66269",
"created_at": "2022-09-04T14:36:09.228510Z",
"updated_at": "2022-09-04T14:36:09.228537Z",
"structure_string": "Ba4 Mo1 Pb1\n1.0\n0.000000 4.973213 4.973213\n4.973213 0.000000 4.973213\n4.973213 4.973213 -0.000000\nBa Mo Pb\n4 1 1\ndirect\n0.123531 0.625489 0.625489 Ba\n0.625489 0.625489 0.625489 Ba\n0.625489 0.123531 0.625489 Ba\n0.625489 0.625489 0.123531 Ba\n0.250000 0.250000 0.250000 Mo\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"Pb"
],
"chemical_system": "Ba-Mo-Pb",
"density": 5.754078961506429,
"density_atomic": 0.024389903052611732,
"volume": 246.0034378594016,
"volume_molar": 24.69112217055383,
"formula_full": "Ba4 Mo1 Pb1",
"formula_reduced": "Ba4MoPb",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.1172384333333332,
"spacegroup": 216
},
{
"id": "jvasp-63924",
"created_at": "2022-09-04T14:35:51.820077Z",
"updated_at": "2022-09-04T14:35:51.820105Z",
"structure_string": "Ba4 Mo1 Pd1\n1.0\n0.000000 4.841725 4.841725\n4.841725 0.000000 4.841725\n4.841725 4.841725 0.000000\nBa Mo Pd\n4 1 1\ndirect\n0.123766 0.625411 0.625411 Ba\n0.625411 0.625411 0.625411 Ba\n0.625411 0.123766 0.625411 Ba\n0.625411 0.625411 0.123766 Ba\n0.250000 0.250000 0.250000 Mo\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"Pd"
],
"chemical_system": "Ba-Mo-Pd",
"density": 5.498507317254113,
"density_atomic": 0.02643144450409275,
"volume": 227.00234938241596,
"volume_molar": 22.7840016805268,
"formula_full": "Ba4 Mo1 Pd1",
"formula_reduced": "Ba4MoPd",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.4225625799999997,
"spacegroup": 216
},
{
"id": "jvasp-66471",
"created_at": "2022-09-04T14:36:09.968604Z",
"updated_at": "2022-09-04T14:36:09.968624Z",
"structure_string": "Ba4 Mo1 Pt1\n1.0\n-0.000000 4.770005 4.770005\n4.770005 0.000000 4.770005\n4.770005 4.770005 0.000000\nBa Mo Pt\n4 1 1\ndirect\n0.123009 0.625663 0.625663 Ba\n0.625663 0.625663 0.625663 Ba\n0.625663 0.123009 0.625663 Ba\n0.625663 0.625663 0.123009 Ba\n0.250000 0.250000 0.250000 Mo\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"Pt"
],
"chemical_system": "Ba-Mo-Pt",
"density": 6.42855702721377,
"density_atomic": 0.027641700172037074,
"volume": 217.06334858771555,
"volume_molar": 21.786433983869507,
"formula_full": "Ba4 Mo1 Pt1",
"formula_reduced": "Ba4MoPt",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.5989601966666662,
"spacegroup": 216
},
{
"id": "jvasp-66539",
"created_at": "2022-09-04T14:36:03.477996Z",
"updated_at": "2022-09-04T14:36:03.478020Z",
"structure_string": "Ba4 Mo1 Rh1\n1.0\n0.000000 4.774088 4.774088\n4.774088 -0.000000 4.774088\n4.774088 4.774088 0.000000\nBa Mo Rh\n4 1 1\ndirect\n0.123711 0.625430 0.625430 Ba\n0.625430 0.625430 0.625430 Ba\n0.625430 0.123711 0.625430 Ba\n0.625430 0.625430 0.123711 Ba\n0.250000 0.250000 0.250000 Mo\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"Rh"
],
"chemical_system": "Ba-Mo-Rh",
"density": 5.708717520365569,
"density_atomic": 0.02757083979044421,
"volume": 217.6212275579485,
"volume_molar": 21.84242774529928,
"formula_full": "Ba4 Mo1 Rh1",
"formula_reduced": "Ba4MoRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.6825321299999996,
"spacegroup": 216
},
{
"id": "jvasp-66247",
"created_at": "2022-09-04T14:35:45.397962Z",
"updated_at": "2022-09-04T14:35:45.397992Z",
"structure_string": "Ba4 Mo1 Ru1\n1.0\n-0.000000 4.763535 4.763535\n4.763535 -0.000000 4.763535\n4.763535 4.763535 -0.000000\nBa Mo Ru\n4 1 1\ndirect\n0.123912 0.625363 0.625363 Ba\n0.625363 0.625363 0.625363 Ba\n0.625363 0.123912 0.625363 Ba\n0.625363 0.625363 0.123912 Ba\n0.250000 0.250000 0.250000 Mo\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"Ru"
],
"chemical_system": "Ba-Mo-Ru",
"density": 5.732643521025607,
"density_atomic": 0.02775448499630069,
"volume": 216.1812766765343,
"volume_molar": 21.69790129704324,
"formula_full": "Ba4 Mo1 Ru1",
"formula_reduced": "Ba4MoRu",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.019250046666666,
"spacegroup": 216
},
{
"id": "jvasp-64391",
"created_at": "2022-09-04T14:35:58.214547Z",
"updated_at": "2022-09-04T14:35:58.214572Z",
"structure_string": "Ba4 Mo1 Se1\n1.0\n0.000000 4.921957 4.921957\n4.921957 -0.000000 4.921957\n4.921957 4.921957 0.000000\nBa Mo Se\n4 1 1\ndirect\n0.124355 0.625216 0.625216 Ba\n0.625216 0.625216 0.625216 Ba\n0.625216 0.124355 0.625216 Ba\n0.625216 0.625216 0.124355 Ba\n0.250000 0.250000 0.250000 Mo\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"Se"
],
"chemical_system": "Ba-Mo-Se",
"density": 5.042767835317443,
"density_atomic": 0.025159836180856956,
"volume": 238.47532062093248,
"volume_molar": 23.93553247608977,
"formula_full": "Ba4 Mo1 Se1",
"formula_reduced": "Ba4MoSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3109438577777774,
"spacegroup": 216
},
{
"id": "jvasp-66629",
"created_at": "2022-09-04T14:36:14.495619Z",
"updated_at": "2022-09-04T14:36:14.495644Z",
"structure_string": "Ba4 Mo1 W1\n1.0\n0.000000 4.841096 4.841096\n4.841096 -0.000000 4.841096\n4.841096 4.841096 0.000000\nBa Mo W\n4 1 1\ndirect\n0.124149 0.625284 0.625284 Ba\n0.625284 0.625284 0.625284 Ba\n0.625284 0.124149 0.625284 Ba\n0.625284 0.625284 0.124149 Ba\n0.250000 0.250000 0.250000 Mo\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"W"
],
"chemical_system": "Ba-Mo-W",
"density": 6.067204682290485,
"density_atomic": 0.026441748496500477,
"volume": 226.91388963154574,
"volume_molar": 22.775123062671216,
"formula_full": "Ba4 Mo1 W1",
"formula_reduced": "Ba4MoW",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.6972232966666665,
"spacegroup": 216
},
{
"id": "jvasp-53119",
"created_at": "2022-09-04T14:37:27.192967Z",
"updated_at": "2022-09-04T14:37:27.193003Z",
"structure_string": "Ba4 N2 F2\n1.0\n-5.720867 -0.000475 -0.001255\n-0.001449 -5.704597 -0.001439\n2.860155 2.851338 5.759789\nBa N F\n4 2 2\ndirect\n0.770983 0.767201 0.533880 Ba\n0.236467 0.233422 0.466007 Ba\n0.487210 0.983456 0.966345 Ba\n0.020559 0.517532 0.034218 Ba\n0.991496 0.997371 -0.000081 N\n0.241665 0.747610 0.500325 N\n0.500290 0.499777 0.000517 F\n0.749909 0.249377 0.499771 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"N",
"F"
],
"chemical_system": "Ba-F-N",
"density": 5.436970984042447,
"density_atomic": 0.042569459827060084,
"volume": 187.92815395121946,
"volume_molar": 14.146622448264921,
"formula_full": "Ba4 N2 F2",
"formula_reduced": "Ba2NF",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6583413681249999,
"spacegroup": 46
}
]
}