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=4206",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=4204",
"results": [
{
"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-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-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-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-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-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-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-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-11811",
"created_at": "2022-09-04T14:37:37.875556Z",
"updated_at": "2022-09-04T14:37:37.875585Z",
"structure_string": "Ba4 Mn4 Sb4 O2\n1.0\n2.363380 -4.093494 -0.000000\n2.363380 4.093494 0.000000\n0.000000 -0.000000 19.923642\nBa Mn Sb O\n4 4 4 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.250000 Ba\n0.666667 0.333333 0.149354 Mn\n0.666667 0.333333 0.350646 Mn\n0.333333 0.666667 0.850646 Mn\n0.333333 0.666667 0.649354 Mn\n0.666667 0.333333 0.614038 Sb\n0.666667 0.333333 0.885962 Sb\n0.333333 0.666667 0.385962 Sb\n0.333333 0.666667 0.114038 Sb\n0.666667 0.333333 0.250000 O\n0.333333 0.666667 0.750000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Mn",
"Sb",
"O"
],
"chemical_system": "Ba-Mn-O-Sb",
"density": 5.548452782021036,
"density_atomic": 0.03631630011160152,
"volume": 385.50182581863817,
"volume_molar": 16.582473273691722,
"formula_full": "Ba4 Mn4 Sb4 O2",
"formula_reduced": "Ba2Mn2Sb2O",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 2.076113160394089,
"spacegroup": 194
},
{
"id": "jvasp-10239",
"created_at": "2022-09-04T14:38:13.111926Z",
"updated_at": "2022-09-04T14:38:13.111944Z",
"structure_string": "Ba4 Mn4 S8\n1.0\n4.151679 0.000000 0.000000\n0.000000 7.065082 0.000000\n0.000000 0.000000 14.010768\nBa Mn S\n4 4 8\ndirect\n0.250000 0.715323 0.627937 Ba\n0.750000 0.284677 0.372063 Ba\n0.250000 0.215323 0.872063 Ba\n0.750000 0.784677 0.127937 Ba\n0.750000 0.230170 0.634773 Mn\n0.750000 0.730170 0.865227 Mn\n0.250000 0.769830 0.365227 Mn\n0.250000 0.269830 0.134773 Mn\n0.250000 0.527833 0.244241 S\n0.750000 0.472167 0.755760 S\n0.250000 0.027833 0.255759 S\n0.750000 0.972167 0.744241 S\n0.250000 0.755223 0.953120 S\n0.750000 0.744777 0.453120 S\n0.250000 0.255223 0.546880 S\n0.750000 0.244777 0.046880 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"S"
],
"chemical_system": "Ba-Mn-S",
"density": 4.143962348481079,
"density_atomic": 0.038932928013982994,
"volume": 410.9631824827946,
"volume_molar": 15.46798832555597,
"formula_full": "Ba4 Mn4 S8",
"formula_reduced": "BaMnS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5864883028448271,
"spacegroup": 62
},
{
"id": "jvasp-59257",
"created_at": "2022-09-04T14:38:34.134938Z",
"updated_at": "2022-09-04T14:38:34.134952Z",
"structure_string": "Ba4 Mn4 O12\n1.0\n2.843370 -4.924861 0.000000\n2.843370 4.924861 -0.000000\n-0.000000 -0.000000 9.289302\nBa Mn O\n4 4 12\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.750000 Ba\n0.666667 0.333333 0.250000 Ba\n0.000000 0.000000 0.500000 Ba\n0.666667 0.333333 0.887329 Mn\n0.666667 0.333333 0.612670 Mn\n0.333333 0.666667 0.387329 Mn\n0.333333 0.666667 0.112671 Mn\n0.500000 0.500000 0.500000 O\n0.625377 0.812689 0.250000 O\n0.812689 0.625377 0.750000 O\n0.374623 0.187311 0.750000 O\n0.000000 0.500000 0.500000 O\n0.187311 0.374623 0.250000 O\n0.812689 0.187311 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.187311 0.812689 0.250000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-O",
"density": 6.134172644469468,
"density_atomic": 0.07687578498305586,
"volume": 260.15994509074847,
"volume_molar": 7.833599047251791,
"formula_full": "Ba4 Mn4 O12",
"formula_reduced": "BaMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.8972207422758625,
"spacegroup": 194
},
{
"id": "jvasp-112420",
"created_at": "2022-09-04T14:38:41.087541Z",
"updated_at": "2022-09-04T14:38:41.087570Z",
"structure_string": "Ba4 Mn4 F20\n1.0\n4.825383 -0.000000 0.000000\n0.000000 5.831870 0.000000\n-0.000000 -0.000000 14.216618\nBa Mn F\n4 4 20\ndirect\n0.736134 0.627599 0.660938 Ba\n0.236135 0.872401 0.339062 Ba\n0.263865 0.127599 0.839062 Ba\n0.763865 0.372401 0.160938 Ba\n0.347672 0.113539 0.584556 Mn\n0.847671 0.386461 0.415444 Mn\n0.652328 0.613539 0.915444 Mn\n0.152328 0.886461 0.084556 Mn\n0.288950 0.644787 0.160166 F\n0.657612 0.116517 0.663905 F\n0.157612 0.383483 0.336095 F\n0.052369 0.128168 0.498920 F\n0.842387 0.883483 0.163905 F\n0.552369 0.371832 0.501080 F\n0.788950 0.855213 0.839834 F\n0.342387 0.616518 0.836095 F\n0.711049 0.144787 0.339834 F\n0.202728 0.868908 0.676832 F\n0.797272 0.368908 0.823168 F\n0.297272 0.131092 0.176832 F\n0.447630 0.871832 0.998920 F\n0.702727 0.631092 0.323168 F\n0.494838 0.384585 0.988455 F\n-0.005162 0.115415 0.011545 F\n0.505162 0.884585 0.511545 F\n0.005162 0.615415 0.488455 F\n0.211050 0.355213 0.660166 F\n0.947630 0.628168 0.001080 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"F"
],
"chemical_system": "Ba-F-Mn",
"density": 4.769181857809966,
"density_atomic": 0.06998776307673293,
"volume": 400.06993750180953,
"volume_molar": 8.604562419572499,
"formula_full": "Ba4 Mn4 F20",
"formula_reduced": "BaMnF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0635706605541871,
"spacegroup": 19
}
]
}