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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=4542",
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"results": [
{
"id": "jvasp-110718",
"created_at": "2022-09-04T14:38:48.481966Z",
"updated_at": "2022-09-04T14:38:48.481988Z",
"structure_string": "Rb2 In1 As1 I6\n1.0\n7.362709 0.000000 4.250862\n2.454236 6.941629 4.250862\n-0.000000 0.000000 8.501724\nRb In As I\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 In\n0.000000 0.000000 0.000000 As\n0.759263 0.240737 0.240737 I\n0.240737 0.240737 0.759262 I\n0.240738 0.759263 0.759262 I\n0.240738 0.759263 0.240737 I\n0.759263 0.240737 0.759262 I\n0.759263 0.759263 0.240737 I\n",
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"formula_full": "Rb2 In1 As1 I6",
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{
"id": "jvasp-66142",
"created_at": "2022-09-04T14:35:59.913331Z",
"updated_at": "2022-09-04T14:35:59.913358Z",
"structure_string": "Ba1 Ca1 Cd1\n1.0\n-0.000000 4.024586 4.024586\n4.024586 -0.000000 4.024586\n4.024586 4.024586 -0.000000\nBa Ca Cd\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 3,
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"elements": [
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"density": 3.6912870879169852,
"density_atomic": 0.02301058302856495,
"volume": 130.3747930365715,
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"formula_full": "Ba1 Ca1 Cd1",
"formula_reduced": "BaCaCd",
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{
"id": "jvasp-99741",
"created_at": "2022-09-04T14:36:44.057191Z",
"updated_at": "2022-09-04T14:36:44.057210Z",
"structure_string": "Rb2 Pd1\n1.0\n4.979376 0.010823 2.757701\n1.714183 4.675027 2.757701\n0.100951 0.070671 5.689986\nRb Pd\n2 1\ndirect\n0.250073 0.250073 0.249971 Rb\n0.749927 0.749927 0.750030 Rb\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 3,
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"elements": [
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],
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"density": 3.5314892954985555,
"density_atomic": 0.02300345726274321,
"volume": 130.41517915043366,
"volume_molar": 26.17928553615096,
"formula_full": "Rb2 Pd1",
"formula_reduced": "Rb2Pd",
"formula_anonymous": "AB2",
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"spacegroup": 225
},
{
"id": "jvasp-64494",
"created_at": "2022-09-04T14:36:12.236481Z",
"updated_at": "2022-09-04T14:36:12.236507Z",
"structure_string": "Ba4 Mg1 Sb1\n1.0\n-0.000000 5.071224 5.071224\n5.071224 -0.000000 5.071224\n5.071224 5.071224 -0.000000\nBa Mg Sb\n4 1 1\ndirect\n0.120181 0.626605 0.626605 Ba\n0.626605 0.626605 0.626605 Ba\n0.626605 0.120181 0.626605 Ba\n0.626605 0.626605 0.120181 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Sb"
],
"chemical_system": "Ba-Mg-Sb",
"density": 4.426888090176478,
"density_atomic": 0.0230029148819611,
"volume": 260.8365083637815,
"volume_molar": 26.17990281189349,
"formula_full": "Ba4 Mg1 Sb1",
"formula_reduced": "Ba4MgSb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1082868836111111,
"spacegroup": 216
},
{
"id": "jvasp-78507",
"created_at": "2022-09-04T14:37:15.907884Z",
"updated_at": "2022-09-04T14:37:15.907906Z",
"structure_string": "Rb2 Pd1\n1.0\n-1.304984 0.000000 5.540806\n-4.571098 2.845852 1.847820\n-4.571098 -2.845852 1.847820\nRb Pd\n2 1\ndirect\n0.249997 0.249993 0.249993 Rb\n0.750004 0.750007 0.750007 Rb\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 3,
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"elements": [
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],
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"density": 3.531028995048745,
"density_atomic": 0.023000458952161115,
"volume": 130.43217990735445,
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"formula_full": "Rb2 Pd1",
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"formula_anonymous": "AB2",
"energy_above_hull": 6.666666666665239e-06,
"spacegroup": 225
},
{
"id": "jvasp-105860",
"created_at": "2022-09-04T14:35:55.762453Z",
"updated_at": "2022-09-04T14:35:55.762488Z",
"structure_string": "Sr1 Ca3\n1.0\n5.107462 0.002900 -4.510733\n-1.036956 5.001090 -4.510733\n-0.002359 -0.002900 6.814167\nSr Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.749999 0.250000 0.500000 Ca\n0.249999 0.750000 0.500000 Ca\n0.499999 0.500000 0.000000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Ca"
],
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"density": 1.984299014897768,
"density_atomic": 0.022996387814087325,
"volume": 173.94036108356312,
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"formula_full": "Sr1 Ca3",
"formula_reduced": "SrCa3",
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"spacegroup": 139
},
{
"id": "jvasp-110470",
"created_at": "2022-09-04T14:38:39.204622Z",
"updated_at": "2022-09-04T14:38:39.204647Z",
"structure_string": "Sr1 Ca3\n1.0\n5.582366 -0.000000 -0.000000\n-0.000000 5.582366 -0.000000\n0.000000 -0.000000 5.582366\nSr Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n",
"nsites": 4,
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"elements": [
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"Ca"
],
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"density": 1.9840497737915002,
"density_atomic": 0.022993499315380268,
"volume": 173.96221189022825,
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"formula_full": "Sr1 Ca3",
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"spacegroup": 221
},
{
"id": "jvasp-36498",
"created_at": "2022-09-04T14:37:27.851544Z",
"updated_at": "2022-09-04T14:37:27.851564Z",
"structure_string": "Ba3 P1 N1\n1.0\n6.013935 -0.000000 -0.000000\n-0.000000 6.013935 -0.000000\n-0.000000 0.000000 6.013935\nBa P N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 P\n0.000000 0.000000 0.000000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"P",
"N"
],
"chemical_system": "Ba-N-P",
"density": 3.4886104968509635,
"density_atomic": 0.02298760970362777,
"volume": 217.50847802200718,
"volume_molar": 26.197333422837872,
"formula_full": "Ba3 P1 N1",
"formula_reduced": "Ba3PN",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.626625332,
"spacegroup": 221
},
{
"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": [
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"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-99677",
"created_at": "2022-09-04T14:36:34.781424Z",
"updated_at": "2022-09-04T14:36:34.781450Z",
"structure_string": "K2 Tl1 Ga1 I6\n1.0\n7.366669 -0.000000 4.253148\n2.455556 6.945361 4.253148\n-0.000000 -0.000000 8.506296\nK Tl Ga I\n2 1 1 6\ndirect\n0.750001 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n0.766742 0.233258 0.233259 I\n0.233259 0.233258 0.766742 I\n0.233259 0.766741 0.766742 I\n0.233259 0.766741 0.233259 I\n0.766742 0.233258 0.766742 I\n0.766742 0.766741 0.233259 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Tl",
"Ga",
"I"
],
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"density": 4.2493493281083925,
"density_atomic": 0.022977010796769958,
"volume": 435.2176220157311,
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"formula_full": "K2 Tl1 Ga1 I6",
"formula_reduced": "K2TlGaI6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-64862",
"created_at": "2022-09-04T14:35:44.503988Z",
"updated_at": "2022-09-04T14:35:44.504018Z",
"structure_string": "Ba4 Tl1 Zn1\n1.0\n0.000000 5.073173 5.073173\n5.073173 -0.000000 5.073173\n5.073173 5.073173 0.000000\nBa Tl Zn\n4 1 1\ndirect\n0.126026 0.624658 0.624658 Ba\n0.624658 0.624658 0.624658 Ba\n0.624658 0.126026 0.624658 Ba\n0.624658 0.624658 0.126026 Ba\n0.250000 0.250000 0.250000 Tl\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 6,
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],
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"density": 5.20855398120386,
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"volume": 261.1373622164912,
"volume_molar": 26.210099216046935,
"formula_full": "Ba4 Tl1 Zn1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-64148",
"created_at": "2022-09-04T14:36:00.238903Z",
"updated_at": "2022-09-04T14:36:00.238940Z",
"structure_string": "Ba4 Sc1 Pb1\n1.0\n0.000000 5.073176 5.073176\n5.073176 0.000000 5.073176\n5.073176 5.073176 0.000000\nBa Sc Pb\n4 1 1\ndirect\n0.127034 0.624322 0.624322 Ba\n0.624322 0.624322 0.624322 Ba\n0.624322 0.127034 0.624322 Ba\n0.624322 0.624322 0.127034 Ba\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Pb\n",
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],
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"volume": 261.1378254842824,
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"formula_full": "Ba4 Sc1 Pb1",
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"spacegroup": 216
}
]
}