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_reduced&page=4378",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=4376",
"results": [
{
"id": "jvasp-10548",
"created_at": "2022-09-04T14:37:10.438976Z",
"updated_at": "2022-09-04T14:37:10.439002Z",
"structure_string": "Ba4 Na1 B3 N6\n1.0\n6.491459 -0.000000 -2.295077\n-3.245729 5.621768 -2.295077\n-0.000000 -0.000000 6.885232\nBa Na B N\n4 1 3 6\ndirect\n-0.000000 0.500000 -0.000000 Ba\n0.500000 0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 -0.000000 B\n0.500000 0.000000 0.500000 B\n-0.000000 0.500000 0.500000 B\n-0.000000 0.670080 0.670079 N\n0.329920 0.329920 -0.000000 N\n-0.000000 0.329920 0.329920 N\n0.329920 0.000000 0.329920 N\n0.670080 0.000000 0.670079 N\n0.670080 0.670080 -0.000000 N\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Na",
"B",
"N"
],
"chemical_system": "B-Ba-N-Na",
"density": 4.551872778305022,
"density_atomic": 0.055717833292204824,
"volume": 251.2660520479834,
"volume_molar": 10.808282383160302,
"formula_full": "Ba4 Na1 B3 N6",
"formula_reduced": "Ba4Na(BN2)3",
"formula_anonymous": "AB3C4D6",
"energy_above_hull": 3.684690723571429,
"spacegroup": 229
},
{
"id": "jvasp-24299",
"created_at": "2022-09-04T14:38:29.274980Z",
"updated_at": "2022-09-04T14:38:29.275009Z",
"structure_string": "Ba4 Na1 Bi3 O12\n1.0\n7.082424 -0.000000 -2.504015\n-3.541211 6.133559 -2.504015\n-0.000000 0.000000 7.512044\nBa Na Bi O\n4 1 3 12\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.000000 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.000001 Bi\n0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.250000 0.750000 O\n0.000000 0.263255 0.263255 O\n0.263255 0.000000 0.263255 O\n0.736744 0.000000 0.736745 O\n0.250000 0.750000 0.500000 O\n0.750000 0.250000 0.500000 O\n0.250000 0.500000 0.750000 O\n0.263255 0.263255 0.000000 O\n0.750000 0.500000 0.250001 O\n0.000000 0.736745 0.736745 O\n0.500000 0.750000 0.250001 O\n0.736745 0.736745 0.000001 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Na",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Na-O",
"density": 7.0793924884440615,
"density_atomic": 0.06128827563719837,
"volume": 326.32668796870473,
"volume_molar": 9.825926243460692,
"formula_full": "Ba4 Na1 Bi3 O12",
"formula_reduced": "Ba4Na(BiO4)3",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 1.794383889,
"spacegroup": 229
},
{
"id": "jvasp-64664",
"created_at": "2022-09-04T14:35:40.831369Z",
"updated_at": "2022-09-04T14:35:40.831393Z",
"structure_string": "Ba4 Na1 Bi1\n1.0\n0.000000 5.185871 5.185871\n5.185871 0.000000 5.185871\n5.185871 5.185871 -0.000000\nBa Na Bi\n4 1 1\ndirect\n0.131100 0.622967 0.622967 Ba\n0.622967 0.622967 0.622967 Ba\n0.622967 0.131100 0.622967 Ba\n0.622967 0.622967 0.131100 Ba\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Bi\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Bi"
],
"chemical_system": "Ba-Bi-Na",
"density": 4.6511426874796795,
"density_atomic": 0.021510778416609175,
"volume": 278.929933812493,
"volume_molar": 27.995922059938607,
"formula_full": "Ba4 Na1 Bi1",
"formula_reduced": "Ba4NaBi",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0164153233333333,
"spacegroup": 216
},
{
"id": "jvasp-57578",
"created_at": "2022-09-04T14:37:28.563656Z",
"updated_at": "2022-09-04T14:37:28.563683Z",
"structure_string": "Ba4 Na1 Au1 O8\n1.0\n5.444541 0.000000 -1.959964\n-0.705562 5.398631 -1.959964\n-0.059851 -0.068182 8.375861\nBa Na Au O\n4 1 1 8\ndirect\n0.372275 0.872274 0.744549 Ba\n0.872274 0.372274 0.744549 Ba\n0.127726 0.627726 0.255452 Ba\n0.627726 0.127726 0.255452 Ba\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Au\n0.217096 0.217096 0.434192 O\n0.323371 0.323371 0.646742 O\n0.676629 0.676629 0.353259 O\n0.758538 0.758538 0.000001 O\n0.782904 0.782904 0.565809 O\n0.241462 0.241462 0.000000 O\n0.241462 0.758538 0.000000 O\n0.758538 0.241462 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Na",
"Au",
"O"
],
"chemical_system": "Au-Ba-Na-O",
"density": 6.08789817901599,
"density_atomic": 0.057204241917944494,
"volume": 244.73709519797546,
"volume_molar": 10.527437403398059,
"formula_full": "Ba4 Na1 Au1 O8",
"formula_reduced": "Ba4NaAuO8",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 1.458154889285714,
"spacegroup": 139
},
{
"id": "jvasp-119216",
"created_at": "2022-09-04T14:38:52.119202Z",
"updated_at": "2022-09-04T14:38:52.119228Z",
"structure_string": "Ba4 Na2 W2 O11\n1.0\n5.931651 0.027486 0.000000\n-0.090023 5.931032 0.000000\n-0.000000 -0.000000 8.592218\nBa Na W O\n4 2 2 11\ndirect\n0.013078 0.478369 0.276738 Ba\n0.013078 0.478369 0.723263 Ba\n0.521631 0.986922 0.276738 Ba\n0.521631 0.986922 0.723263 Ba\n0.513248 0.486752 0.500000 Na\n0.985074 0.014927 -0.000000 Na\n0.505435 0.494565 -0.000000 W\n0.019439 0.980561 0.500000 W\n0.721793 0.278207 -0.000000 O\n0.492542 0.507459 0.223534 O\n0.492542 0.507459 0.776466 O\n0.022016 0.977984 0.730334 O\n0.785875 0.214126 0.500000 O\n0.242584 0.219510 0.500000 O\n0.780490 0.757417 0.500000 O\n0.609703 0.794214 -0.000000 O\n0.245780 0.754220 0.500000 O\n0.022016 0.977984 0.269666 O\n0.205786 0.390297 -0.000000 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Ba",
"Na",
"W",
"O"
],
"chemical_system": "Ba-Na-O-W",
"density": 6.256280875329708,
"density_atomic": 0.0628509594362151,
"volume": 302.30246555396394,
"volume_molar": 9.581621050847485,
"formula_full": "Ba4 Na2 W2 O11",
"formula_reduced": "Ba4Na2W2O11",
"formula_anonymous": "A2B2C4D11",
"energy_above_hull": 2.505265283157895,
"spacegroup": 38
},
{
"id": "jvasp-98086",
"created_at": "2022-09-04T14:35:45.052269Z",
"updated_at": "2022-09-04T14:35:45.052297Z",
"structure_string": "Ba4 Na2 Ca1 Ti3 Si4 S2 O26\n1.0\n5.448050 0.003106 -0.459791\n-0.095689 7.084608 -1.104709\n0.024422 0.025087 14.759913\nBa Na Ca Ti Si S O\n4 2 1 3 4 2 26\ndirect\n0.415060 0.167827 0.618901 Ba\n0.933045 0.704918 0.705194 Ba\n0.001518 0.996448 0.016279 Ba\n0.483234 0.458242 0.930332 Ba\n0.708850 0.577144 0.317726 Na\n0.207903 0.317827 0.318120 Na\n0.209770 0.856863 0.317493 Ca\n0.391019 0.643591 0.520381 Ti\n0.709211 0.093660 0.318054 Ti\n0.025519 0.520693 0.114877 Ti\n0.529373 0.241088 0.128412 Si\n0.885816 0.922871 0.508026 Si\n0.530708 0.804939 0.125376 Si\n0.887422 0.358462 0.509195 Si\n0.953091 0.283132 0.795009 S\n0.462878 0.880151 0.840528 S\n0.247871 0.785142 0.872329 O\n0.168290 0.377799 0.763172 O\n0.546625 0.838391 0.235861 O\n0.967334 0.051335 0.242995 O\n0.271880 0.696922 0.078779 O\n0.546153 0.273679 0.238897 O\n0.368960 0.611867 0.403810 O\n0.439578 0.850921 0.737388 O\n0.692385 0.785237 0.872113 O\n0.870843 0.889355 0.397665 O\n0.451174 0.096092 0.393233 O\n0.762292 0.323091 0.081790 O\n0.047602 0.562740 0.231423 O\n0.976187 0.312747 0.898191 O\n0.870492 0.324090 0.398571 O\n0.654220 0.841368 0.555408 O\n0.143267 0.841865 0.553749 O\n0.273073 0.322291 0.082551 O\n0.763649 0.695940 0.076947 O\n0.653147 0.467521 0.556715 O\n0.145114 0.466793 0.555805 O\n0.471634 0.081469 0.879648 O\n0.943911 0.081757 0.756123 O\n0.899998 0.153545 0.551020 O\n0.723819 0.378245 0.763298 O\n0.516876 0.010869 0.084514 O\n",
"nsites": 42,
"nelements": 7,
"elements": [
"Ba",
"Na",
"Ca",
"Ti",
"Si",
"S",
"O"
],
"chemical_system": "Ba-Ca-Na-O-S-Si-Ti",
"density": 3.9957652648864115,
"density_atomic": 0.07369342661798843,
"volume": 569.9287158638906,
"volume_molar": 8.171883214519987,
"formula_full": "Ba4 Na2 Ca1 Ti3 Si4 S2 O26",
"formula_reduced": "Ba4Na2CaTi3Si4(SO13)2",
"formula_anonymous": "AB2C2D3E4F4G26",
"energy_above_hull": 2.642633873809524,
"spacegroup": 1
},
{
"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-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-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-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
}
]
}