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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=931",
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"results": [
{
"id": "jvasp-69204",
"created_at": "2022-09-04T14:35:44.346813Z",
"updated_at": "2022-09-04T14:35:44.346846Z",
"structure_string": "Ba2 Zn1 Pb1\n1.0\n0.000000 4.203611 4.203611\n4.203611 0.000000 4.203611\n4.203611 4.203611 0.000000\nBa Zn Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
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"elements": [
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"Zn",
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],
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"density": 6.117128859485977,
"density_atomic": 0.026925416884834758,
"volume": 148.55851692505922,
"volume_molar": 22.366007500488728,
"formula_full": "Ba2 Zn1 Pb1",
"formula_reduced": "Ba2ZnPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-64389",
"created_at": "2022-09-04T14:35:51.874225Z",
"updated_at": "2022-09-04T14:35:51.874255Z",
"structure_string": "Ba4 Zn1 Pb1\n1.0\n-0.000000 5.051475 5.051475\n5.051475 0.000000 5.051475\n5.051475 5.051475 0.000000\nBa Zn Pb\n4 1 1\ndirect\n0.127747 0.624085 0.624085 Ba\n0.624085 0.624085 0.624085 Ba\n0.624085 0.127747 0.624085 Ba\n0.624085 0.624085 0.127747 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Zn",
"Pb"
],
"chemical_system": "Ba-Pb-Zn",
"density": 5.294103664840328,
"density_atomic": 0.023273764245332316,
"volume": 257.8010130528556,
"volume_molar": 25.87523314458156,
"formula_full": "Ba4 Zn1 Pb1",
"formula_reduced": "Ba4ZnPb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0045436566666666,
"spacegroup": 216
},
{
"id": "jvasp-66381",
"created_at": "2022-09-04T14:35:59.305852Z",
"updated_at": "2022-09-04T14:35:59.305872Z",
"structure_string": "Ba1 Zn1 Pb1\n1.0\n0.000000 3.904490 3.904490\n3.904490 0.000000 3.904490\n3.904490 3.904490 0.000000\nBa Zn Pb\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"Zn",
"Pb"
],
"chemical_system": "Ba-Pb-Zn",
"density": 5.717974527229634,
"density_atomic": 0.02519987081664293,
"volume": 119.0482293273777,
"volume_molar": 23.89750647460762,
"formula_full": "Ba1 Zn1 Pb1",
"formula_reduced": "BaZnPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-69025",
"created_at": "2022-09-04T14:36:14.290276Z",
"updated_at": "2022-09-04T14:36:14.290300Z",
"structure_string": "Ba2 Zr1 Pb1\n1.0\n-0.000000 4.237870 4.237870\n4.237870 0.000000 4.237870\n4.237870 4.237870 0.000000\nBa Zr Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Pb"
],
"chemical_system": "Ba-Pb-Zr",
"density": 6.251582223850333,
"density_atomic": 0.026277685158216404,
"volume": 152.22040967140882,
"volume_molar": 22.917318339652233,
"formula_full": "Ba2 Zr1 Pb1",
"formula_reduced": "Ba2ZrPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.074309315,
"spacegroup": 225
},
{
"id": "jvasp-64668",
"created_at": "2022-09-04T14:35:44.199593Z",
"updated_at": "2022-09-04T14:35:44.199620Z",
"structure_string": "Ba4 Zr1 Pb1\n1.0\n0.000000 5.010742 5.010742\n5.010742 -0.000000 5.010742\n5.010742 5.010742 0.000000\nBa Zr Pb\n4 1 1\ndirect\n0.126292 0.624570 0.624570 Ba\n0.624570 0.624570 0.624570 Ba\n0.624570 0.126292 0.624570 Ba\n0.624570 0.624570 0.126292 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Pb"
],
"chemical_system": "Ba-Pb-Zr",
"density": 5.594632367878724,
"density_atomic": 0.02384597747740623,
"volume": 251.61476419597082,
"volume_molar": 25.254325454705743,
"formula_full": "Ba4 Zr1 Pb1",
"formula_reduced": "Ba4ZrPb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7553098666666666,
"spacegroup": 216
},
{
"id": "jvasp-66250",
"created_at": "2022-09-04T14:35:47.629802Z",
"updated_at": "2022-09-04T14:35:47.629832Z",
"structure_string": "Ba1 Zr1 Pb1\n1.0\n-0.000000 3.866152 3.866152\n3.866152 0.000000 3.866152\n3.866152 3.866152 0.000000\nBa Zr Pb\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Pb"
],
"chemical_system": "Ba-Pb-Zr",
"density": 6.260668671171529,
"density_atomic": 0.025956999297222262,
"volume": 115.57576303979941,
"volume_molar": 23.20045044900258,
"formula_full": "Ba1 Zr1 Pb1",
"formula_reduced": "BaZrPb",
"formula_anonymous": "ABC",
"energy_above_hull": 1.5897537633333334,
"spacegroup": 216
},
{
"id": "jvasp-101663",
"created_at": "2022-09-04T14:36:40.651595Z",
"updated_at": "2022-09-04T14:36:40.651623Z",
"structure_string": "Ba8 Pd2\n1.0\n8.018339 -0.000000 4.629390\n2.672780 7.559763 4.629390\n-0.000000 -0.000000 9.258781\nBa Pd\n8 2\ndirect\n0.380813 0.380813 0.380813 Ba\n0.380813 0.380813 0.857560 Ba\n0.380813 0.857560 0.380813 Ba\n0.869187 0.869186 0.392440 Ba\n0.869187 0.869186 0.869187 Ba\n0.857560 0.380813 0.380813 Ba\n0.869187 0.392440 0.869187 Ba\n0.392440 0.869186 0.869187 Ba\n0.000000 0.000000 0.000000 Pd\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ba",
"Pd"
],
"chemical_system": "Ba-Pd",
"density": 3.8802205923851734,
"density_atomic": 0.01781778008203807,
"volume": 561.2371436821641,
"volume_molar": 33.798490789943365,
"formula_full": "Ba8 Pd2",
"formula_reduced": "Ba4Pd",
"formula_anonymous": "AB4",
"energy_above_hull": 0.127473916,
"spacegroup": 227
},
{
"id": "jvasp-14977",
"created_at": "2022-09-04T14:36:22.120012Z",
"updated_at": "2022-09-04T14:36:22.120041Z",
"structure_string": "Ba1 Pd5\n1.0\n2.795271 -4.841551 0.000000\n2.795271 4.841551 0.000000\n0.000000 -0.000000 4.385567\nBa Pd\n1 5\ndirect\n0.000000 0.000000 0.000000 Ba\n-0.000000 0.500000 0.500000 Pd\n0.333333 0.666667 0.000000 Pd\n0.666667 0.333333 0.000000 Pd\n0.500000 -0.000000 0.500000 Pd\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ba",
"Pd"
],
"chemical_system": "Ba-Pd",
"density": 9.364576600037058,
"density_atomic": 0.05054603276776785,
"volume": 118.70367804268261,
"volume_molar": 11.914170965045932,
"formula_full": "Ba1 Pd5",
"formula_reduced": "BaPd5",
"formula_anonymous": "AB5",
"energy_above_hull": 1.4319307450000005,
"spacegroup": 191
},
{
"id": "jvasp-79519",
"created_at": "2022-09-04T14:37:11.604019Z",
"updated_at": "2022-09-04T14:37:11.604029Z",
"structure_string": "Ba2 Pd2\n1.0\n-1.117281 0.000000 -5.453570\n-2.512037 -4.441096 0.514752\n-2.512037 4.441096 0.514752\nBa Pd\n2 2\ndirect\n0.250000 0.333338 0.666663 Ba\n0.750000 0.666663 0.333338 Ba\n0.500000 -0.000000 -0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
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],
"chemical_system": "Ba-Pd",
"density": 6.384567185895958,
"density_atomic": 0.0315480906829045,
"volume": 126.79055731786482,
"volume_molar": 19.088764580175752,
"formula_full": "Ba2 Pd2",
"formula_reduced": "BaPd",
"formula_anonymous": "AB",
"energy_above_hull": 0.167030835,
"spacegroup": 194
},
{
"id": "jvasp-36189",
"created_at": "2022-09-04T14:38:32.548315Z",
"updated_at": "2022-09-04T14:38:32.548345Z",
"structure_string": "Ba2 Pd2\n1.0\n-4.434677 0.000000 0.000000\n0.000000 0.000000 -4.709751\n-2.217338 -5.911638 -0.000000\nBa Pd\n2 2\ndirect\n0.138480 0.750000 0.723041 Ba\n0.861521 0.250000 0.276960 Ba\n0.427582 0.750000 0.144836 Pd\n0.572419 0.250000 0.855164 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Pd"
],
"chemical_system": "Ba-Pd",
"density": 6.556175940775202,
"density_atomic": 0.03239606179876503,
"volume": 123.47179804899879,
"volume_molar": 18.589113693534102,
"formula_full": "Ba2 Pd2",
"formula_reduced": "BaPd",
"formula_anonymous": "AB",
"energy_above_hull": 0.160060835,
"spacegroup": 63
},
{
"id": "jvasp-19809",
"created_at": "2022-09-04T14:37:41.701450Z",
"updated_at": "2022-09-04T14:37:41.701469Z",
"structure_string": "Ba2 Pd4\n1.0\n4.954332 -0.000000 2.860385\n1.651444 4.670989 2.860385\n-0.000000 -0.000000 5.720770\nBa Pd\n2 4\ndirect\n0.125000 0.125000 0.125000 Ba\n0.874999 0.875000 0.875002 Ba\n0.500000 0.000000 0.500001 Pd\n-0.000000 0.500000 0.500001 Pd\n0.499999 0.500000 0.500001 Pd\n0.499999 0.500000 0.000001 Pd\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Ba-Pd",
"density": 8.78427392675164,
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"volume": 132.38794422458182,
"volume_molar": 13.287647250791014,
"formula_full": "Ba2 Pd4",
"formula_reduced": "BaPd2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6962157899999998,
"spacegroup": 227
},
{
"id": "jvasp-66552",
"created_at": "2022-09-04T14:36:15.273730Z",
"updated_at": "2022-09-04T14:36:15.273751Z",
"structure_string": "Ba4 Re1 Pd1\n1.0\n-0.000000 4.732154 4.732154\n4.732154 0.000000 4.732154\n4.732154 4.732154 0.000000\nBa Re Pd\n4 1 1\ndirect\n0.124802 0.625065 0.625065 Ba\n0.625065 0.625065 0.625065 Ba\n0.625065 0.124802 0.625065 Ba\n0.625065 0.625065 0.124802 Ba\n0.000000 0.000000 0.000000 Re\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Re",
"Pd"
],
"chemical_system": "Ba-Pd-Re",
"density": 6.596613770046046,
"density_atomic": 0.02831031137294442,
"volume": 211.93691305472805,
"volume_molar": 21.27189871092423,
"formula_full": "Ba4 Re1 Pd1",
"formula_reduced": "Ba4RePd",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.6217845966666666,
"spacegroup": 216
}
]
}