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=186",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=184",
"results": [
{
"id": "jvasp-12649",
"created_at": "2022-09-04T14:37:20.011881Z",
"updated_at": "2022-09-04T14:37:20.011912Z",
"structure_string": "Ba2 Mn1 Mo1 O6\n1.0\n5.004593 -0.000000 2.889403\n1.668198 4.718375 2.889403\n-0.000000 -0.000000 5.778805\nBa Mn Mo O\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mo\n0.260545 0.739455 0.739456 O\n0.260545 0.739455 0.260544 O\n0.739456 0.260544 0.739456 O\n0.260544 0.260544 0.739456 O\n0.739456 0.260544 0.260544 O\n0.739456 0.739455 0.260544 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Mn",
"Mo",
"O"
],
"chemical_system": "Ba-Mn-Mo-O",
"density": 6.346405824451107,
"density_atomic": 0.07328257849509258,
"volume": 136.4580805609843,
"volume_molar": 8.217697689776672,
"formula_full": "Ba2 Mn1 Mo1 O6",
"formula_reduced": "Ba2MnMoO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.6401146081379308,
"spacegroup": 225
},
{
"id": "jvasp-110307",
"created_at": "2022-09-04T14:38:14.756205Z",
"updated_at": "2022-09-04T14:38:14.756228Z",
"structure_string": "Ba2 Mn1 N2\n1.0\n3.945725 0.000000 -1.182044\n-0.355748 3.927705 -1.187506\n-0.010732 -0.001521 7.140715\nBa Mn N\n2 1 2\ndirect\n0.142272 0.142272 0.784545 Ba\n0.857726 0.857727 0.215455 Ba\n0.499999 0.499999 0.500000 Mn\n0.632698 0.632698 0.765398 N\n0.367301 0.367301 0.234602 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"N"
],
"chemical_system": "Ba-Mn-N",
"density": 5.36873441225211,
"density_atomic": 0.04520523218656678,
"volume": 110.60666560376175,
"volume_molar": 13.321778185202074,
"formula_full": "Ba2 Mn1 N2",
"formula_reduced": "Ba2MnN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.871995136275862,
"spacegroup": 139
},
{
"id": "jvasp-106849",
"created_at": "2022-09-04T14:36:53.927778Z",
"updated_at": "2022-09-04T14:36:53.927802Z",
"structure_string": "Ba2 Mn1 Nb1 O6\n1.0\n4.997575 -0.000000 2.885351\n1.665858 4.711758 2.885351\n-0.000000 -0.000000 5.770702\nBa Mn Nb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Nb\n0.751059 0.248940 0.248940 O\n0.248940 0.751060 0.751059 O\n0.248940 0.248940 0.751060 O\n0.751059 0.751060 0.248940 O\n0.248940 0.751060 0.248940 O\n0.751059 0.248940 0.751060 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Mn",
"Nb",
"O"
],
"chemical_system": "Ba-Mn-Nb-O",
"density": 6.336108108824058,
"density_atomic": 0.0735917372272753,
"volume": 135.88482045364327,
"volume_molar": 8.183175159191668,
"formula_full": "Ba2 Mn1 Nb1 O6",
"formula_reduced": "Ba2MnNbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.558522958137931,
"spacegroup": 225
},
{
"id": "jvasp-112787",
"created_at": "2022-09-04T14:38:44.201816Z",
"updated_at": "2022-09-04T14:38:44.201843Z",
"structure_string": "Ba4 Mn2 Ni2 Cl2 F14\n1.0\n5.862556 0.000000 0.000000\n-0.000000 7.358345 2.152924\n-0.000000 0.012015 8.940619\nBa Mn Ni Cl F\n4 2 2 2 14\ndirect\n0.250000 0.700565 0.070756 Ba\n0.750000 0.299436 0.929243 Ba\n0.750000 0.328405 0.410086 Ba\n0.250000 0.671596 0.589914 Ba\n0.250000 0.170187 0.732837 Mn\n0.750000 0.829815 0.267162 Mn\n0.750000 0.810133 0.826485 Ni\n0.250000 0.189868 0.173515 Ni\n0.250000 0.121695 0.459422 Cl\n0.750000 0.878306 0.540577 Cl\n0.998416 0.362754 0.653191 F\n0.501584 0.362754 0.653191 F\n0.750000 0.746975 0.065807 F\n-0.000917 0.010594 0.170500 F\n0.498416 0.637247 0.346808 F\n0.500917 0.010594 0.170500 F\n0.499083 0.989408 0.829499 F\n0.000917 0.989408 0.829499 F\n0.994278 0.622051 0.842189 F\n0.494277 0.377950 0.157811 F\n0.250000 0.253026 0.934192 F\n0.001584 0.637247 0.346808 F\n0.505723 0.622051 0.842189 F\n0.005723 0.377950 0.157811 F\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Ba",
"Mn",
"Ni",
"Cl",
"F"
],
"chemical_system": "Ba-Cl-F-Mn-Ni",
"density": 4.795762221661053,
"density_atomic": 0.06225113843305982,
"volume": 385.53511797712406,
"volume_molar": 9.673944784922698,
"formula_full": "Ba4 Mn2 Ni2 Cl2 F14",
"formula_reduced": "Ba2MnNiClF7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 0.1421556355316091,
"spacegroup": 11
},
{
"id": "jvasp-88039",
"created_at": "2022-09-04T14:36:09.588193Z",
"updated_at": "2022-09-04T14:36:09.588213Z",
"structure_string": "Ba8 Mn4 O12\n1.0\n5.853826 0.000000 0.366467\n2.926913 5.814014 0.183233\n-0.037024 0.000000 12.799326\nBa Mn O\n8 4 12\ndirect\n0.212634 0.590330 0.250971 Ba\n0.674277 0.590342 0.053412 Ba\n0.264621 0.409657 0.553412 Ba\n0.583060 0.790200 0.476953 Ba\n0.103983 0.790213 0.827431 Ba\n0.894196 0.209786 0.327431 Ba\n0.373261 0.209799 0.976953 Ba\n0.802965 0.409669 0.750971 Ba\n0.513192 0.006561 0.738160 Mn\n0.957513 0.006549 0.566223 Mn\n0.519751 0.993438 0.238160 Mn\n0.964061 0.993450 0.066223 Mn\n0.722305 0.655996 0.269226 O\n0.098941 0.656008 0.035158 O\n0.754949 0.343992 0.535158 O\n0.369430 0.197477 0.365952 O\n0.636183 0.204878 0.152191 O\n0.107830 0.802506 0.438431 O\n0.910337 0.197494 0.938432 O\n0.242153 0.992944 0.152193 O\n0.235098 0.007056 0.652193 O\n0.378302 0.344004 0.769226 O\n0.566907 0.802522 0.865952 O\n0.841062 0.795121 0.652191 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-O",
"density": 5.756363791469302,
"density_atomic": 0.05508452639708708,
"volume": 435.6940427696795,
"volume_molar": 10.932545224385294,
"formula_full": "Ba8 Mn4 O12",
"formula_reduced": "Ba2MnO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.6356249468965514,
"spacegroup": 15
},
{
"id": "jvasp-69251",
"created_at": "2022-09-04T14:35:51.637783Z",
"updated_at": "2022-09-04T14:35:51.637815Z",
"structure_string": "Ba2 Mn1 Pb1\n1.0\n0.000000 4.201343 4.201343\n4.201343 -0.000000 4.201343\n4.201343 4.201343 -0.000000\nBa Mn Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"Pb"
],
"chemical_system": "Ba-Mn-Pb",
"density": 6.009810191964793,
"density_atomic": 0.02696904566043021,
"volume": 148.31818857679934,
"volume_molar": 22.329825221942745,
"formula_full": "Ba2 Mn1 Pb1",
"formula_reduced": "Ba2MnPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0055100003448274,
"spacegroup": 225
},
{
"id": "jvasp-88004",
"created_at": "2022-09-04T14:35:56.166789Z",
"updated_at": "2022-09-04T14:35:56.166821Z",
"structure_string": "Ba2 Mn1 Re1 O6\n1.0\n5.009369 0.000000 2.892160\n1.669789 4.722877 2.892160\n-0.000000 -0.000000 5.784320\nBa Mn Re O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.750001 Ba\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500000 0.500000 Re\n0.260338 0.739663 0.739660 O\n0.260338 0.739663 0.260337 O\n0.739663 0.260338 0.739661 O\n0.260339 0.260338 0.739662 O\n0.739663 0.260338 0.260337 O\n0.739662 0.739663 0.260338 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Mn",
"Re",
"O"
],
"chemical_system": "Ba-Mn-O-Re",
"density": 7.423579548488399,
"density_atomic": 0.07307318379839157,
"volume": 136.8491077053647,
"volume_molar": 8.24124589482107,
"formula_full": "Ba2 Mn1 Re1 O6",
"formula_reduced": "Ba2MnReO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.773985818137931,
"spacegroup": 225
},
{
"id": "jvasp-65777",
"created_at": "2022-09-04T14:36:11.588730Z",
"updated_at": "2022-09-04T14:36:11.588750Z",
"structure_string": "Ba2 Mn1 Sn1\n1.0\n0.000000 4.172384 4.172384\n4.172384 0.000000 4.172384\n4.172384 4.172384 -0.000000\nBa Mn Sn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"Sn"
],
"chemical_system": "Ba-Mn-Sn",
"density": 5.124329030469678,
"density_atomic": 0.027534499185884458,
"volume": 145.27229905276786,
"volume_molar": 21.87125583561457,
"formula_full": "Ba2 Mn1 Sn1",
"formula_reduced": "Ba2MnSn",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0353752203448274,
"spacegroup": 225
},
{
"id": "jvasp-11737",
"created_at": "2022-09-04T14:36:41.627297Z",
"updated_at": "2022-09-04T14:36:41.627316Z",
"structure_string": "Ba2 Mn1 Te1 O6\n1.0\n5.068016 0.000548 2.925206\n1.689362 4.778163 2.925206\n0.000776 0.000548 5.851633\nBa Mn Te O\n2 1 1 6\ndirect\n0.750000 0.749999 0.749999 Ba\n0.250002 0.250001 0.250001 Ba\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500000 0.500000 Te\n0.260126 0.739871 0.260126 O\n0.739872 0.260126 0.260126 O\n0.260127 0.260126 0.739871 O\n0.739875 0.260129 0.739874 O\n0.739875 0.739874 0.260129 O\n0.260129 0.739874 0.739874 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Mn",
"Te",
"O"
],
"chemical_system": "Ba-Mn-O-Te",
"density": 6.4835464168177905,
"density_atomic": 0.07058142575549173,
"volume": 141.68033435088168,
"volume_molar": 8.532189163848727,
"formula_full": "Ba2 Mn1 Te1 O6",
"formula_reduced": "Ba2MnTeO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.072293794804598,
"spacegroup": 225
},
{
"id": "jvasp-65585",
"created_at": "2022-09-04T14:36:03.042081Z",
"updated_at": "2022-09-04T14:36:03.042113Z",
"structure_string": "Ba2 Mn1 Tl1\n1.0\n-0.000000 4.176330 4.176330\n4.176330 0.000000 4.176330\n4.176330 4.176330 -0.000000\nBa Mn Tl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"Tl"
],
"chemical_system": "Ba-Mn-Tl",
"density": 6.086335424985297,
"density_atomic": 0.027456525098178305,
"volume": 145.6848594531503,
"volume_molar": 21.933368255692194,
"formula_full": "Ba2 Mn1 Tl1",
"formula_reduced": "Ba2MnTl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8090204453448275,
"spacegroup": 225
},
{
"id": "jvasp-3366",
"created_at": "2022-09-04T14:35:41.491929Z",
"updated_at": "2022-09-04T14:35:41.491961Z",
"structure_string": "Ba2 Mn1 Zn2 As2 O2\n1.0\n4.128116 -0.000000 -0.877240\n-0.186417 4.123905 -0.877240\n0.045336 0.047432 10.365007\nBa Mn Zn As O\n2 1 2 2 2\ndirect\n0.591487 0.591486 0.182972 Ba\n0.408514 0.408513 0.817028 Ba\n0.000000 0.000000 0.000000 Mn\n0.750001 0.250000 0.500000 Zn\n0.250000 0.749999 0.500000 Zn\n0.173651 0.173650 0.347303 As\n0.826351 0.826349 0.652698 As\n-0.000000 0.499999 -0.000000 O\n0.500001 -0.000000 0.000000 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Mn",
"Zn",
"As",
"O"
],
"chemical_system": "As-Ba-Mn-O-Zn",
"density": 6.032255801654886,
"density_atomic": 0.05090584677764881,
"volume": 176.7969804983506,
"volume_molar": 11.82995891671158,
"formula_full": "Ba2 Mn1 Zn2 As2 O2",
"formula_reduced": "Ba2MnZn2(AsO)2",
"formula_anonymous": "AB2C2D2E2",
"energy_above_hull": 1.1678389423754787,
"spacegroup": 139
},
{
"id": "jvasp-65708",
"created_at": "2022-09-04T14:36:20.135231Z",
"updated_at": "2022-09-04T14:36:20.135255Z",
"structure_string": "Ba2 Mo1 Pb1\n1.0\n0.000000 4.181462 4.181462\n4.181462 0.000000 4.181462\n4.181462 4.181462 -0.000000\nBa Mo Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"Pb"
],
"chemical_system": "Ba-Mo-Pb",
"density": 6.561568489067352,
"density_atomic": 0.027355555136397782,
"volume": 146.2225855061454,
"volume_molar": 22.014324805228586,
"formula_full": "Ba2 Mo1 Pb1",
"formula_reduced": "Ba2MoPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.570694665,
"spacegroup": 225
}
]
}