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=chemical_system&page=840",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=838",
"results": [
{
"id": "jvasp-26394",
"created_at": "2022-09-04T14:37:26.980348Z",
"updated_at": "2022-09-04T14:37:26.980375Z",
"structure_string": "Ba4 I4 O2\n1.0\n6.873704 -0.000007 0.000135\n-0.000086 7.540426 0.000000\n-3.436538 -3.769851 7.000398\nBa I O\n4 4 2\ndirect\n0.594762 0.418484 0.189562 Ba\n0.405237 0.581516 0.810437 Ba\n0.905237 0.228931 0.810437 Ba\n0.094762 0.771069 0.189563 Ba\n0.649528 0.992377 0.299095 I\n0.149529 0.306714 0.299099 I\n0.850469 0.693286 0.700901 I\n0.350470 0.007623 0.700905 I\n0.750000 0.500001 0.000001 O\n0.249998 0.499999 -0.000002 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"I",
"O"
],
"chemical_system": "Ba-I-O",
"density": 4.983486781038871,
"density_atomic": 0.027560454301932644,
"volume": 362.83872139577767,
"volume_molar": 21.850658534237965,
"formula_full": "Ba4 I4 O2",
"formula_reduced": "Ba2I2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 72
},
{
"id": "jvasp-59058",
"created_at": "2022-09-04T14:38:35.791649Z",
"updated_at": "2022-09-04T14:38:35.791658Z",
"structure_string": "Ba8 I12 O2\n1.0\n5.476473 -9.485529 -0.000000\n5.476473 9.485529 0.000000\n-0.000000 -0.000000 8.462760\nBa I O\n8 12 2\ndirect\n0.406870 0.203435 0.128198 Ba\n0.203435 0.406870 0.628198 Ba\n0.203435 0.796565 0.628198 Ba\n0.796565 0.203435 0.128198 Ba\n0.796565 0.593130 0.128198 Ba\n0.593130 0.796565 0.628198 Ba\n0.666667 0.333333 0.525309 Ba\n0.333333 0.666667 0.025309 Ba\n0.467871 0.935741 0.325924 I\n0.532129 0.467871 0.825924 I\n0.935741 0.467871 0.825924 I\n0.064258 0.532129 0.325924 I\n0.467871 0.532129 0.325924 I\n0.532129 0.064258 0.825924 I\n0.136874 0.863126 0.013655 I\n0.863125 0.726251 0.513655 I\n0.863126 0.136874 0.513655 I\n0.136874 0.273748 0.013655 I\n0.273748 0.136874 0.513655 I\n0.726251 0.863125 0.013655 I\n0.666667 0.333333 0.223247 O\n0.333333 0.666667 0.723247 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"I",
"O"
],
"chemical_system": "Ba-I-O",
"density": 5.01139340017463,
"density_atomic": 0.025021777245647255,
"volume": 879.2341081138464,
"volume_molar": 24.06759800024837,
"formula_full": "Ba8 I12 O2",
"formula_reduced": "Ba4I6O",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-64509",
"created_at": "2022-09-04T14:36:17.600853Z",
"updated_at": "2022-09-04T14:36:17.600874Z",
"structure_string": "K1 Ba4 Ir1\n1.0\n0.000000 5.004921 5.004921\n5.004921 -0.000000 5.004921\n5.004921 5.004921 0.000000\nK Ba Ir\n1 4 1\ndirect\n0.000000 0.000000 0.000000 K\n0.132954 0.622349 0.622349 Ba\n0.622349 0.622349 0.622349 Ba\n0.622349 0.132954 0.622349 Ba\n0.622349 0.622349 0.132954 Ba\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Ba",
"Ir"
],
"chemical_system": "Ba-Ir-K",
"density": 5.169742733461167,
"density_atomic": 0.023929276857082675,
"volume": 250.7388767255663,
"volume_molar": 25.16641349409414,
"formula_full": "K1 Ba4 Ir1",
"formula_reduced": "KBa4Ir",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6382171633333331,
"spacegroup": 216
},
{
"id": "jvasp-64053",
"created_at": "2022-09-04T14:37:52.303079Z",
"updated_at": "2022-09-04T14:37:52.303096Z",
"structure_string": "Ba4 La1 Ir1\n1.0\n0.000000 4.852062 4.852062\n4.852062 0.000000 4.852062\n4.852062 4.852062 -0.000000\nBa La Ir\n4 1 1\ndirect\n0.129944 0.623352 0.623352 Ba\n0.623352 0.623352 0.623352 Ba\n0.623352 0.129944 0.623352 Ba\n0.623352 0.623352 0.129944 Ba\n0.000000 0.000000 0.000000 La\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"La",
"Ir"
],
"chemical_system": "Ba-Ir-La",
"density": 6.3993393509414105,
"density_atomic": 0.026262872766564308,
"volume": 228.459394116195,
"volume_molar": 22.930243821867368,
"formula_full": "Ba4 La1 Ir1",
"formula_reduced": "Ba4LaIr",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.1673333299999995,
"spacegroup": 216
},
{
"id": "jvasp-87221",
"created_at": "2022-09-04T14:36:06.071294Z",
"updated_at": "2022-09-04T14:36:06.071313Z",
"structure_string": "Ba2 La1 Ir1 O6\n1.0\n5.275863 -0.020987 3.006254\n1.737236 4.981685 3.006254\n-0.029670 -0.020987 6.072184\nBa La Ir O\n2 1 1 6\ndirect\n0.748501 0.748499 0.748499 Ba\n0.251500 0.251499 0.251499 Ba\n0.000000 0.000000 0.000000 La\n0.500000 0.499999 0.499999 Ir\n0.273442 0.767342 0.690493 O\n0.690494 0.273440 0.767343 O\n0.767344 0.690492 0.273441 O\n0.726559 0.232655 0.309506 O\n0.309507 0.726558 0.232656 O\n0.232657 0.309505 0.726558 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"La",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-La-O",
"density": 7.261284406390402,
"density_atomic": 0.0623114381848185,
"volume": 160.4841790096315,
"volume_molar": 9.664583157490384,
"formula_full": "Ba2 La1 Ir1 O6",
"formula_reduced": "Ba2LaIrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.201536904,
"spacegroup": 148
},
{
"id": "jvasp-66419",
"created_at": "2022-09-04T14:35:51.758505Z",
"updated_at": "2022-09-04T14:35:51.758532Z",
"structure_string": "Ba4 Li1 Ir1\n1.0\n0.000000 4.842248 4.842248\n4.842248 -0.000000 4.842248\n4.842248 4.842248 -0.000000\nBa Li Ir\n4 1 1\ndirect\n0.129557 0.623481 0.623481 Ba\n0.623481 0.623481 0.623481 Ba\n0.623481 0.129557 0.623481 Ba\n0.623481 0.623481 0.129557 Ba\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Ir"
],
"chemical_system": "Ba-Ir-Li",
"density": 5.4733105871433265,
"density_atomic": 0.02642288103162949,
"volume": 227.07591926927668,
"volume_molar": 22.79138581743301,
"formula_full": "Ba4 Li1 Ir1",
"formula_reduced": "Ba4LiIr",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9387941633333332,
"spacegroup": 216
},
{
"id": "jvasp-25781",
"created_at": "2022-09-04T14:38:14.548804Z",
"updated_at": "2022-09-04T14:38:14.548821Z",
"structure_string": "Ba6 Lu2 Ir4 O18\n1.0\n2.944247 -5.099584 -0.000000\n2.944247 5.099584 -0.000000\n-0.000000 0.000000 14.537173\nBa Lu Ir O\n6 2 4 18\ndirect\n0.333334 0.666667 0.090890 Ba\n0.666667 0.333334 0.590890 Ba\n0.333334 0.666667 0.409110 Ba\n0.000000 0.000000 0.250000 Ba\n0.666667 0.333334 0.909110 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.000000 Lu\n0.000000 0.000000 0.500000 Lu\n0.333334 0.666667 0.837163 Ir\n0.666667 0.333334 0.162837 Ir\n0.666667 0.333334 0.337163 Ir\n0.333334 0.666667 0.662837 Ir\n0.507707 0.492294 0.250000 O\n0.652070 0.826036 0.584825 O\n0.826036 0.652070 0.415175 O\n0.173965 0.347931 0.584825 O\n0.015413 0.507706 0.750000 O\n0.173966 0.826035 0.915175 O\n0.492294 0.507707 0.750000 O\n0.347931 0.173965 0.084825 O\n0.652070 0.826036 0.915175 O\n0.173965 0.347931 0.915175 O\n0.492295 0.984588 0.750000 O\n0.347931 0.173965 0.415175 O\n0.984588 0.492295 0.250000 O\n0.826036 0.652070 0.084825 O\n0.826035 0.173966 0.084825 O\n0.826035 0.173966 0.415175 O\n0.173966 0.826035 0.584825 O\n0.507706 0.015413 0.250000 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Lu",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-Lu-O",
"density": 8.485582820519486,
"density_atomic": 0.06872303156637727,
"volume": 436.5348750807654,
"volume_molar": 8.76291488128462,
"formula_full": "Ba6 Lu2 Ir4 O18",
"formula_reduced": "Ba3LuIr2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.453953824,
"spacegroup": 194
},
{
"id": "jvasp-66057",
"created_at": "2022-09-04T14:35:51.227150Z",
"updated_at": "2022-09-04T14:35:51.227180Z",
"structure_string": "Ba4 Mg1 Ir1\n1.0\n0.000000 4.837657 4.837657\n4.837657 0.000000 4.837657\n4.837657 4.837657 0.000000\nBa Mg Ir\n4 1 1\ndirect\n0.129381 0.623540 0.623540 Ba\n0.623540 0.623540 0.623540 Ba\n0.623540 0.129381 0.623540 Ba\n0.623540 0.623540 0.129381 Ba\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Ir"
],
"chemical_system": "Ba-Ir-Mg",
"density": 5.616247763452153,
"density_atomic": 0.026498179428514543,
"volume": 226.4306503088825,
"volume_molar": 22.7266208089738,
"formula_full": "Ba4 Mg1 Ir1",
"formula_reduced": "Ba4MgIr",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6482056716666664,
"spacegroup": 216
},
{
"id": "jvasp-65406",
"created_at": "2022-09-04T14:35:41.329194Z",
"updated_at": "2022-09-04T14:35:41.329221Z",
"structure_string": "Ba1 Mg1 Ir2\n1.0\n3.330391 0.000000 -0.000000\n0.000000 3.330391 -0.000000\n-0.000000 -0.000000 7.450481\nBa Mg Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.814278 Ir\n0.000000 0.000000 0.185722 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Ir"
],
"chemical_system": "Ba-Ir-Mg",
"density": 10.972850801354966,
"density_atomic": 0.04840444348271033,
"volume": 82.63704139948985,
"volume_molar": 12.441297382441881,
"formula_full": "Ba1 Mg1 Ir2",
"formula_reduced": "BaMgIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.057901805,
"spacegroup": 123
},
{
"id": "jvasp-65334",
"created_at": "2022-09-04T14:36:21.133101Z",
"updated_at": "2022-09-04T14:36:21.133119Z",
"structure_string": "Ba1 Mo1 Ir2\n1.0\n3.345045 0.000000 -0.000000\n0.000000 3.345045 0.000000\n-0.000000 -0.000000 7.729507\nBa Mo Ir\n1 1 2\ndirect\n0.499999 0.499999 0.767133 Ba\n0.000000 0.000000 0.399795 Mo\n0.000000 0.000000 0.065624 Ir\n0.499999 0.499999 0.267448 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"Ir"
],
"chemical_system": "Ba-Ir-Mo",
"density": 11.85964468830319,
"density_atomic": 0.04624920451883971,
"volume": 86.4879740444096,
"volume_molar": 13.021068843566528,
"formula_full": "Ba1 Mo1 Ir2",
"formula_reduced": "BaMoIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.8605410175,
"spacegroup": 99
},
{
"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-22442",
"created_at": "2022-09-04T14:37:03.255400Z",
"updated_at": "2022-09-04T14:37:03.255429Z",
"structure_string": "Ba6 Na2 Ir2 O12\n1.0\n7.123308 -0.003472 -0.195872\n-0.201236 7.120466 -0.195872\n-0.003378 -0.003472 7.125999\nBa Na Ir O\n6 2 2 12\ndirect\n0.893404 0.606596 0.250000 Ba\n0.249999 0.893405 0.606596 Ba\n0.606595 0.250001 0.893405 Ba\n0.106595 0.393405 0.750000 Ba\n0.750000 0.106596 0.393405 Ba\n0.393404 0.750001 0.106596 Ba\n0.750000 0.750001 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500001 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.949461 0.267447 0.083238 O\n0.767446 0.449462 0.583238 O\n0.416762 0.232554 0.550539 O\n0.550539 0.416762 0.232554 O\n0.232554 0.550539 0.416762 O\n0.732554 0.916763 0.050539 O\n0.050538 0.732555 0.916762 O\n0.916762 0.050539 0.732554 O\n0.583238 0.767447 0.449462 O\n0.449461 0.583239 0.767446 O\n0.083238 0.949462 0.267446 O\n0.267446 0.083239 0.949461 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ba",
"Na",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-Na-O",
"density": 6.645225739434842,
"density_atomic": 0.060870156107504216,
"volume": 361.4250629018477,
"volume_molar": 9.893420922667186,
"formula_full": "Ba6 Na2 Ir2 O12",
"formula_reduced": "Ba3NaIrO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.7389771827272726,
"spacegroup": 167
}
]
}