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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=4207",
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"results": [
{
"id": "jvasp-57430",
"created_at": "2022-09-04T14:37:02.534880Z",
"updated_at": "2022-09-04T14:37:02.534911Z",
"structure_string": "Ba4 Mn4 Bi4 O2\n1.0\n2.410161 -4.174522 0.000000\n2.410161 4.174522 -0.000000\n-0.000000 0.000000 20.151322\nBa Mn Bi O\n4 4 4 2\ndirect\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.848644 Mn\n0.333333 0.666667 0.151356 Mn\n0.666667 0.333333 0.651356 Mn\n0.333333 0.666667 0.348644 Mn\n0.666667 0.333333 0.113102 Bi\n0.666667 0.333333 0.386898 Bi\n0.333333 0.666667 0.613102 Bi\n0.333333 0.666667 0.886898 Bi\n0.666667 0.333333 0.750000 O\n0.333333 0.666667 0.250000 O\n",
"nsites": 14,
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"elements": [
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"Bi",
"O"
],
"chemical_system": "Ba-Bi-Mn-O",
"density": 6.703571988757607,
"density_atomic": 0.0345256360799707,
"volume": 405.4957877552847,
"volume_molar": 17.44251936749578,
"formula_full": "Ba4 Mn4 Bi4 O2",
"formula_reduced": "Ba2Mn2Bi2O",
"formula_anonymous": "AB2C2D2",
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{
"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": [
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"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-64549",
"created_at": "2022-09-04T14:35:59.167967Z",
"updated_at": "2022-09-04T14:35:59.167992Z",
"structure_string": "Ba4 Mn1 Zn1\n1.0\n0.000000 4.897982 4.897982\n4.897982 0.000000 4.897982\n4.897982 4.897982 0.000000\nBa Mn Zn\n4 1 1\ndirect\n0.126328 0.624557 0.624557 Ba\n0.624557 0.624557 0.624557 Ba\n0.624557 0.126328 0.624557 Ba\n0.624557 0.624557 0.126328 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"Zn"
],
"chemical_system": "Ba-Mn-Zn",
"density": 4.731716243818382,
"density_atomic": 0.025531110214961555,
"volume": 235.0074066298897,
"volume_molar": 23.587461372795886,
"formula_full": "Ba4 Mn1 Zn1",
"formula_reduced": "Ba4MnZn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.5083902535632183,
"spacegroup": 216
},
{
"id": "jvasp-64090",
"created_at": "2022-09-04T14:35:42.117437Z",
"updated_at": "2022-09-04T14:35:42.117459Z",
"structure_string": "Ba4 Mn1 W1\n1.0\n0.000000 4.804736 4.804736\n4.804736 -0.000000 4.804736\n4.804736 4.804736 -0.000000\nBa Mn W\n4 1 1\ndirect\n0.124523 0.625160 0.625160 Ba\n0.625160 0.625160 0.625160 Ba\n0.625160 0.124523 0.625160 Ba\n0.625160 0.625160 0.124523 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Mn",
"W"
],
"chemical_system": "Ba-Mn-W",
"density": 5.899078142277846,
"density_atomic": 0.027046599161120694,
"volume": 221.8393508276989,
"volume_molar": 22.26579661319042,
"formula_full": "Ba4 Mn1 W1",
"formula_reduced": "Ba4MnW",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.378078520229885,
"spacegroup": 216
},
{
"id": "jvasp-66144",
"created_at": "2022-09-04T14:36:02.458324Z",
"updated_at": "2022-09-04T14:36:02.458352Z",
"structure_string": "Ba4 Mn1 V1\n1.0\n0.000000 4.979951 4.979951\n4.979951 -0.000000 4.979951\n4.979951 4.979951 0.000000\nBa Mn V\n4 1 1\ndirect\n0.124337 0.625221 0.625221 Ba\n0.625221 0.625221 0.625221 Ba\n0.625221 0.124337 0.625221 Ba\n0.625221 0.625221 0.124337 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 V\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"V"
],
"chemical_system": "Ba-Mn-V",
"density": 4.404630949684671,
"density_atomic": 0.024291036470194333,
"volume": 247.00469275414162,
"volume_molar": 24.79161713576655,
"formula_full": "Ba4 Mn1 V1",
"formula_reduced": "Ba4MnV",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.6342475535632184,
"spacegroup": 216
},
{
"id": "jvasp-64424",
"created_at": "2022-09-04T14:35:41.064731Z",
"updated_at": "2022-09-04T14:35:41.064760Z",
"structure_string": "Ba4 Mn1 Tl1\n1.0\n-0.000000 4.975966 4.975966\n4.975966 0.000000 4.975966\n4.975966 4.975966 0.000000\nBa Mn Tl\n4 1 1\ndirect\n0.125124 0.624959 0.624959 Ba\n0.624959 0.624959 0.624959 Ba\n0.624959 0.125124 0.624959 Ba\n0.624959 0.624959 0.125124 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"Tl"
],
"chemical_system": "Ba-Mn-Tl",
"density": 5.449245658593589,
"density_atomic": 0.02434944361551216,
"volume": 246.41220122900938,
"volume_molar": 24.732149346375657,
"formula_full": "Ba4 Mn1 Tl1",
"formula_reduced": "Ba4MnTl",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.650060620229885,
"spacegroup": 216
},
{
"id": "jvasp-64511",
"created_at": "2022-09-04T14:36:20.418016Z",
"updated_at": "2022-09-04T14:36:20.418043Z",
"structure_string": "Ba4 Mn1 Te1\n1.0\n-0.000000 4.959628 4.959628\n4.959628 -0.000000 4.959628\n4.959628 4.959628 -0.000000\nBa Mn Te\n4 1 1\ndirect\n0.125284 0.624906 0.624906 Ba\n0.624906 0.624906 0.624906 Ba\n0.624906 0.125284 0.624906 Ba\n0.624906 0.624906 0.125284 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"Te"
],
"chemical_system": "Ba-Mn-Te",
"density": 4.980713057570613,
"density_atomic": 0.024590872902695557,
"volume": 243.99296534700494,
"volume_molar": 24.489333029491103,
"formula_full": "Ba4 Mn1 Te1",
"formula_reduced": "Ba4MnTe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8902281480076627,
"spacegroup": 216
},
{
"id": "jvasp-66508",
"created_at": "2022-09-04T14:36:13.781806Z",
"updated_at": "2022-09-04T14:36:13.781831Z",
"structure_string": "Ba4 Mn1 Tc1\n1.0\n-0.000000 4.879388 4.879388\n4.879388 -0.000000 4.879388\n4.879388 4.879388 -0.000000\nBa Mn Tc\n4 1 1\ndirect\n0.123597 0.625468 0.625468 Ba\n0.625468 0.625468 0.625468 Ba\n0.625468 0.123597 0.625468 Ba\n0.625468 0.625468 0.123597 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"Tc"
],
"chemical_system": "Ba-Mn-Tc",
"density": 5.018943912549567,
"density_atomic": 0.025824099915035044,
"volume": 232.34110848938982,
"volume_molar": 23.319847660958942,
"formula_full": "Ba4 Mn1 Tc1",
"formula_reduced": "Ba4MnTc",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.8393004368965515,
"spacegroup": 216
},
{
"id": "jvasp-64077",
"created_at": "2022-09-04T14:36:11.256060Z",
"updated_at": "2022-09-04T14:36:11.256075Z",
"structure_string": "Ba4 Mn1 Sn1\n1.0\n-0.000000 4.935329 4.935329\n4.935329 0.000000 4.935329\n4.935329 4.935329 0.000000\nBa Mn Sn\n4 1 1\ndirect\n0.124110 0.625297 0.625297 Ba\n0.625297 0.625297 0.625297 Ba\n0.625297 0.124110 0.625297 Ba\n0.625297 0.625297 0.124110 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"Sn"
],
"chemical_system": "Ba-Mn-Sn",
"density": 4.993242613331329,
"density_atomic": 0.024955882243189266,
"volume": 240.42427919523726,
"volume_molar": 24.131147523920973,
"formula_full": "Ba4 Mn1 Sn1",
"formula_reduced": "Ba4MnSn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8303138035632183,
"spacegroup": 216
},
{
"id": "jvasp-66077",
"created_at": "2022-09-04T14:36:08.168711Z",
"updated_at": "2022-09-04T14:36:08.168745Z",
"structure_string": "Ba4 Mn1 Si1\n1.0\n-0.000000 4.865662 4.865662\n4.865662 -0.000000 4.865662\n4.865662 4.865662 0.000000\nBa Mn Si\n4 1 1\ndirect\n0.123589 0.625470 0.625470 Ba\n0.625470 0.625470 0.625470 Ba\n0.625470 0.123589 0.625470 Ba\n0.625470 0.625470 0.123589 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Si\n",
"nsites": 6,
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"elements": [
"Ba",
"Mn",
"Si"
],
"chemical_system": "Ba-Mn-Si",
"density": 4.557620285015723,
"density_atomic": 0.02604326585966636,
"volume": 230.38585223262265,
"volume_molar": 23.1236005209569,
"formula_full": "Ba4 Mn1 Si1",
"formula_reduced": "Ba4MnSi",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3775432868965514,
"spacegroup": 216
},
{
"id": "jvasp-66212",
"created_at": "2022-09-04T14:35:48.914982Z",
"updated_at": "2022-09-04T14:35:48.915008Z",
"structure_string": "Ba4 Mn1 Rh1\n1.0\n0.000000 4.763202 4.763202\n4.763202 0.000000 4.763202\n4.763202 4.763202 0.000000\nBa Mn Rh\n4 1 1\ndirect\n0.123819 0.625393 0.625393 Ba\n0.625393 0.625393 0.625393 Ba\n0.625393 0.123819 0.625393 Ba\n0.625393 0.625393 0.123819 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 6,
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"elements": [
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"Mn",
"Rh"
],
"chemical_system": "Ba-Mn-Rh",
"density": 5.432936104133068,
"density_atomic": 0.027760306430906805,
"volume": 216.13594269694116,
"volume_molar": 21.693351170271228,
"formula_full": "Ba4 Mn1 Rh1",
"formula_reduced": "Ba4MnRh",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-66303",
"created_at": "2022-09-04T14:36:03.397057Z",
"updated_at": "2022-09-04T14:36:03.397085Z",
"structure_string": "Ba4 Mn1 Re1\n1.0\n0.000000 4.744189 4.744189\n4.744189 -0.000000 4.744189\n4.744189 4.744189 0.000000\nBa Mn Re\n4 1 1\ndirect\n0.124093 0.625302 0.625302 Ba\n0.625302 0.625302 0.625302 Ba\n0.625302 0.124093 0.625302 Ba\n0.625302 0.625302 0.124093 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Re\n",
"nsites": 6,
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"elements": [
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"Re"
],
"chemical_system": "Ba-Mn-Re",
"density": 6.146235998466889,
"density_atomic": 0.02809540572247741,
"volume": 213.55804786260012,
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"formula_full": "Ba4 Mn1 Re1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
}
]
}