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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=389",
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"results": [
{
"id": "jvasp-107203",
"created_at": "2022-09-04T14:37:01.690576Z",
"updated_at": "2022-09-04T14:37:01.690594Z",
"structure_string": "Na3 Pd1\n1.0\n4.178878 -0.427447 -2.796593\n-1.426599 3.951018 -2.796593\n0.333881 0.427447 5.017218\nNa Pd\n3 1\ndirect\n0.750000 0.250000 0.500001 Na\n0.250000 0.750000 0.500001 Na\n0.500000 0.500000 0.000001 Na\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.21571486854386,
"density_atomic": 0.044165719855065746,
"volume": 90.5679792637005,
"volume_molar": 13.63532798686914,
"formula_full": "Na3 Pd1",
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"spacegroup": 225
},
{
"id": "jvasp-117858",
"created_at": "2022-09-04T14:38:53.003326Z",
"updated_at": "2022-09-04T14:38:53.003366Z",
"structure_string": "Pb2 Br2\n1.0\n6.065762 -0.075422 -1.430957\n-2.287997 -3.023995 0.721456\n1.894125 -3.787432 -6.779521\nPb Br\n2 2\ndirect\n0.174097 0.376168 0.616685 Pb\n0.674233 0.376481 0.116552 Pb\n0.039502 0.144026 0.251337 Br\n0.539488 0.144151 0.751314 Br\n",
"nsites": 4,
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"elements": [
"Pb",
"Br"
],
"chemical_system": "Br-Pb",
"density": 7.854123439909183,
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"volume": 121.40053866600266,
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"formula_full": "Pb2 Br2",
"formula_reduced": "PbBr",
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"spacegroup": 38
},
{
"id": "jvasp-895",
"created_at": "2022-09-04T14:37:44.762451Z",
"updated_at": "2022-09-04T14:37:44.762475Z",
"structure_string": "I4\n1.0\n4.346376 -0.102922 0.000000\n-1.833313 3.942149 0.000000\n0.000000 0.000000 9.731427\nI\n4\ndirect\n0.167973 0.167972 0.121776 I\n0.332028 0.332028 0.621776 I\n0.667974 0.667973 0.378224 I\n0.832029 0.832028 0.878224 I\n",
"nsites": 4,
"nelements": 1,
"elements": [
"I"
],
"chemical_system": "I",
"density": 5.111617308009916,
"density_atomic": 0.024256733392232672,
"volume": 164.9026658008639,
"volume_molar": 24.826676628801014,
"formula_full": "I4",
"formula_reduced": "I",
"formula_anonymous": "A",
"energy_above_hull": 2.627499999996452e-05,
"spacegroup": 64
},
{
"id": "jvasp-29604",
"created_at": "2022-09-04T14:38:29.220115Z",
"updated_at": "2022-09-04T14:38:29.220141Z",
"structure_string": "Cd4 I8\n1.0\n4.285445 -0.000000 -0.000000\n-2.142723 3.711305 0.000000\n-0.000000 0.000000 27.508795\nCd I\n4 8\ndirect\n0.333333 0.666666 0.750033 Cd\n0.333333 0.666666 -0.000061 Cd\n0.666668 0.333333 0.250033 Cd\n0.666668 0.333333 0.499938 Cd\n0.333333 0.666666 0.187006 I\n0.000000 0.000000 0.813082 I\n0.000000 0.000000 0.063014 I\n0.666668 0.333333 0.936927 I\n0.666668 0.333333 0.687006 I\n0.000000 0.000000 0.313083 I\n0.333333 0.666666 0.436926 I\n0.000000 0.000000 0.563014 I\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.559771419139654,
"density_atomic": 0.027427555766942557,
"volume": 437.5162009318806,
"volume_molar": 21.9565345566019,
"formula_full": "Cd4 I8",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.6666666666674832e-05,
"spacegroup": 186
},
{
"id": "jvasp-76775",
"created_at": "2022-09-04T14:37:10.887099Z",
"updated_at": "2022-09-04T14:37:10.887118Z",
"structure_string": "Na1 Mg1 Cd2\n1.0\n-10.535795 0.000000 -6.082844\n-6.886098 0.378904 -0.238618\n-5.985915 2.925006 -1.797780\nNa Mg Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000001 -0.000000 Mg\n0.739120 0.000002 -0.000000 Cd\n0.260880 0.000001 -0.000000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg-Na",
"density": 4.1628189530542485,
"density_atomic": 0.03685047675478834,
"volume": 108.54676390259294,
"volume_molar": 16.34209728159754,
"formula_full": "Na1 Mg1 Cd2",
"formula_reduced": "NaMgCd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7499999999958117e-05,
"spacegroup": 71
},
{
"id": "jvasp-12048",
"created_at": "2022-09-04T14:37:56.728059Z",
"updated_at": "2022-09-04T14:37:56.728075Z",
"structure_string": "Bi4 Br12\n1.0\n7.164619 0.000000 -0.197611\n0.000000 12.416967 0.000000\n-2.188132 0.000000 6.479051\nBi Br\n4 12\ndirect\n0.500341 0.333647 0.000276 Bi\n-0.000341 0.833647 -0.000276 Bi\n0.000341 0.166353 0.000276 Bi\n0.499659 0.666354 -0.000276 Bi\n0.247590 0.168439 0.742949 Br\n0.254405 0.499822 0.736420 Br\n0.253406 0.331328 0.257909 Br\n0.246594 0.831328 0.742091 Br\n0.245595 -0.000178 0.263580 Br\n0.747590 0.331561 0.742949 Br\n0.252410 0.668439 0.257051 Br\n0.754405 0.000178 0.736420 Br\n0.753406 0.168672 0.257909 Br\n0.746594 0.668672 0.742092 Br\n0.745595 0.500178 0.263580 Br\n0.752410 0.831561 0.257051 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Bi",
"Br"
],
"chemical_system": "Bi-Br",
"density": 5.219178657062037,
"density_atomic": 0.02801975565913495,
"volume": 571.0256789760302,
"volume_molar": 21.492481352301418,
"formula_full": "Bi4 Br12",
"formula_reduced": "BiBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.749999999998587e-05,
"spacegroup": 12
},
{
"id": "jvasp-74031",
"created_at": "2022-09-04T14:35:50.694731Z",
"updated_at": "2022-09-04T14:35:50.694755Z",
"structure_string": "Be1 Cd1 Cu2\n1.0\n2.924846 0.000000 0.000000\n0.000000 2.924846 -0.000000\n0.000000 -0.000000 6.200465\nBe Cd Cu\n1 1 2\ndirect\n0.000000 0.000000 0.436654 Be\n0.500001 0.500001 0.739016 Cd\n0.000000 0.000000 0.043556 Cu\n0.500001 0.500001 0.280774 Cu\n",
"nsites": 4,
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"elements": [
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"Cd",
"Cu"
],
"chemical_system": "Be-Cd-Cu",
"density": 7.779859493896818,
"density_atomic": 0.07541013567768243,
"volume": 53.04326751375674,
"volume_molar": 7.985850583454457,
"formula_full": "Be1 Cd1 Cu2",
"formula_reduced": "BeCdCu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7499999999999747e-05,
"spacegroup": 99
},
{
"id": "jvasp-93159",
"created_at": "2022-09-04T14:35:44.657545Z",
"updated_at": "2022-09-04T14:35:44.657574Z",
"structure_string": "Li1 Mg6 Cd1\n1.0\n6.311702 0.007868 0.000000\n-3.149037 5.470028 0.000000\n0.000000 0.000000 5.029554\nLi Mg Cd\n1 6 1\ndirect\n0.168605 0.331395 0.250000 Li\n0.168048 0.836709 0.250000 Mg\n0.663291 0.331952 0.250000 Mg\n0.665395 0.834606 0.250000 Mg\n0.332773 0.660494 0.749999 Mg\n0.839507 0.167227 0.749999 Mg\n0.833124 0.666877 0.749999 Mg\n0.329254 0.170746 0.749999 Cd\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Cd"
],
"chemical_system": "Cd-Li-Mg",
"density": 2.5340552151139972,
"density_atomic": 0.04603762609619733,
"volume": 173.77090606895547,
"volume_molar": 13.080910704249852,
"formula_full": "Li1 Mg6 Cd1",
"formula_reduced": "LiMg6Cd",
"formula_anonymous": "ABC6",
"energy_above_hull": 2.7499999999999747e-05,
"spacegroup": 38
},
{
"id": "jvasp-65563",
"created_at": "2022-09-04T14:35:45.428265Z",
"updated_at": "2022-09-04T14:35:45.428287Z",
"structure_string": "Ba1 Mg1 Cl2\n1.0\n4.148131 0.000000 0.000000\n0.000000 4.148103 0.000000\n0.000000 0.000000 6.573837\nBa Mg Cl\n1 1 2\ndirect\n0.500000 0.500000 0.793839 Ba\n0.000000 0.000000 0.398832 Mg\n0.000000 0.000000 0.010826 Cl\n0.500000 0.500000 0.296505 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Cl"
],
"chemical_system": "Ba-Cl-Mg",
"density": 3.4136744693945396,
"density_atomic": 0.03536218281849247,
"volume": 113.11518919890378,
"volume_molar": 17.029889786245754,
"formula_full": "Ba1 Mg1 Cl2",
"formula_reduced": "BaMgCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7500000000013625e-05,
"spacegroup": 99
},
{
"id": "jvasp-96736",
"created_at": "2022-09-04T14:35:57.211825Z",
"updated_at": "2022-09-04T14:35:57.211853Z",
"structure_string": "Si2\n1.0\n3.364158 -0.000000 1.942298\n1.121386 3.171759 1.942298\n-0.000000 -0.000000 3.884595\nSi\n2\ndirect\n0.875001 0.875000 0.875001 Si\n0.125000 0.125000 0.125000 Si\n",
"nsites": 2,
"nelements": 1,
"elements": [
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],
"chemical_system": "Si",
"density": 2.2502923346377885,
"density_atomic": 0.0482511516441613,
"volume": 41.44978786722934,
"volume_molar": 12.480822850429764,
"formula_full": "Si2",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy_above_hull": 2.9999999999752447e-05,
"spacegroup": 227
},
{
"id": "jvasp-69338",
"created_at": "2022-09-04T14:36:08.248076Z",
"updated_at": "2022-09-04T14:36:08.248099Z",
"structure_string": "Ba1 Sr2 Tl1\n1.0\n4.181619 0.000000 0.000000\n0.000000 4.181619 0.000000\n0.000000 0.000000 10.386796\nBa Sr Tl\n1 2 1\ndirect\n0.500000 0.500000 0.691640 Ba\n0.000000 0.000000 0.013270 Sr\n0.500000 0.500000 0.311247 Sr\n0.000000 0.000000 0.483843 Tl\n",
"nsites": 4,
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"elements": [
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"Sr",
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],
"chemical_system": "Ba-Sr-Tl",
"density": 4.726366183725982,
"density_atomic": 0.022023658716544343,
"volume": 181.6228652778373,
"volume_molar": 27.343961498441317,
"formula_full": "Ba1 Sr2 Tl1",
"formula_reduced": "BaSr2Tl",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.0000000000002247e-05,
"spacegroup": 99
},
{
"id": "jvasp-29532",
"created_at": "2022-09-04T14:37:52.301030Z",
"updated_at": "2022-09-04T14:37:52.301049Z",
"structure_string": "Cd4 I8\n1.0\n4.284840 0.000000 -0.000000\n-2.142421 3.710781 0.000000\n-0.000000 0.000000 27.518151\nCd I\n4 8\ndirect\n0.333333 0.666667 0.062500 Cd\n0.000000 0.000000 0.812452 Cd\n0.666667 0.333333 0.312548 Cd\n0.333333 0.666667 0.562500 Cd\n0.333333 0.666667 0.375557 I\n0.000000 0.000000 0.499464 I\n0.333333 0.666667 0.749442 I\n0.666667 0.333333 0.625536 I\n0.666667 0.333333 0.875510 I\n0.000000 0.000000 -0.000530 I\n0.000000 0.000000 0.249490 I\n0.666667 0.333333 0.125530 I\n",
"nsites": 12,
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"elements": [
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"density": 5.559450819246317,
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"volume": 437.54143141811255,
"volume_molar": 21.957800736098,
"formula_full": "Cd4 I8",
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"formula_anonymous": "AB2",
"energy_above_hull": 3.0000000000030003e-05,
"spacegroup": 164
}
]
}