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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=1551",
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"results": [
{
"id": "jvasp-252",
"created_at": "2022-09-04T14:37:37.657366Z",
"updated_at": "2022-09-04T14:37:37.657393Z",
"structure_string": "Pb2 O2\n1.0\n4.046930 0.000000 0.000000\n0.000000 4.046930 0.000000\n0.000000 0.000000 5.051974\nPb O\n2 2\ndirect\n0.500000 0.000000 0.235799 Pb\n0.000000 0.500000 0.764200 Pb\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 4,
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"density": 8.95900180867252,
"density_atomic": 0.04834454750287437,
"volume": 82.73942371189173,
"volume_molar": 12.456711399857344,
"formula_full": "Pb2 O2",
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{
"id": "jvasp-78947",
"created_at": "2022-09-04T14:36:36.729764Z",
"updated_at": "2022-09-04T14:36:36.729788Z",
"structure_string": "Pb2 O2\n1.0\n3.388441 1.043958 -0.574937\n0.935094 3.427261 0.530655\n-0.934614 0.979422 7.495170\nPb O\n2 2\ndirect\n0.047042 0.118610 0.964311 Pb\n0.881412 0.952861 0.464312 Pb\n0.036330 0.464772 0.285689 O\n0.535215 0.963755 0.785690 O\n",
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"formula_full": "Pb2 O2",
"formula_reduced": "PbO",
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"spacegroup": 186
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{
"id": "jvasp-39332",
"created_at": "2022-09-04T14:37:47.552676Z",
"updated_at": "2022-09-04T14:37:47.552701Z",
"structure_string": "Pb2 N2\n1.0\n1.879615 -3.255588 -0.000000\n1.879615 3.255588 0.000000\n-0.000000 -0.000000 6.619487\nPb N\n2 2\ndirect\n0.666666 0.333332 0.630990 Pb\n0.333332 0.666666 0.130990 Pb\n0.666666 0.333332 0.994010 N\n0.333332 0.666666 0.494010 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pb",
"N"
],
"chemical_system": "N-Pb",
"density": 9.068275370326726,
"density_atomic": 0.04937502412849238,
"volume": 81.01261863873718,
"volume_molar": 12.196734819466872,
"formula_full": "Pb2 N2",
"formula_reduced": "PbN",
"formula_anonymous": "AB",
"energy_above_hull": 2.183132035,
"spacegroup": 186
},
{
"id": "jvasp-29586",
"created_at": "2022-09-04T14:36:35.906500Z",
"updated_at": "2022-09-04T14:36:35.906539Z",
"structure_string": "Pb2 I4\n1.0\n4.540484 0.008731 13.636269\n2.217816 3.961989 13.636269\n0.014861 0.008731 14.372321\nPb I\n2 4\ndirect\n0.416981 0.416980 0.416981 Pb\n0.583020 0.583019 0.583020 Pb\n0.871610 0.871609 0.871610 I\n0.128391 0.128391 0.128391 I\n0.705568 0.705568 0.705568 I\n0.294432 0.294432 0.294432 I\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pb",
"I"
],
"chemical_system": "I-Pb",
"density": 5.9529161521303875,
"density_atomic": 0.023328809423736246,
"volume": 257.19272214102836,
"volume_molar": 25.814179586347354,
"formula_full": "Pb2 I4",
"formula_reduced": "PbI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.00031,
"spacegroup": 166
},
{
"id": "jvasp-29539",
"created_at": "2022-09-04T14:38:03.267397Z",
"updated_at": "2022-09-04T14:38:03.267422Z",
"structure_string": "Pb2 I4\n1.0\n4.583858 0.000000 -0.000000\n-2.291930 3.969738 -0.000000\n0.000000 0.000000 14.124450\nPb I\n2 4\ndirect\n0.666667 0.333333 0.499987 Pb\n0.333333 0.666667 -0.000013 Pb\n0.666667 0.333333 0.865690 I\n0.000000 0.000000 0.134324 I\n0.000000 0.000000 0.634324 I\n0.333333 0.666667 0.365690 I\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pb",
"I"
],
"chemical_system": "I-Pb",
"density": 5.956949178154224,
"density_atomic": 0.02334461439950049,
"volume": 257.01859526659746,
"volume_molar": 25.796702643881993,
"formula_full": "Pb2 I4",
"formula_reduced": "PbI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.00014,
"spacegroup": 186
},
{
"id": "jvasp-29322",
"created_at": "2022-09-04T14:36:58.873782Z",
"updated_at": "2022-09-04T14:36:58.873811Z",
"structure_string": "Pb2 I4\n1.0\n4.536984 0.007465 13.629727\n2.215097 3.959499 13.629727\n0.012707 0.007465 14.365011\nPb I\n2 4\ndirect\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500001 0.499999 Pb\n0.121877 0.121877 0.121877 I\n0.878122 0.878125 0.878122 I\n0.288544 0.288545 0.288544 I\n0.711455 0.711458 0.711455 I\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pb",
"I"
],
"chemical_system": "I-Pb",
"density": 5.959758235413386,
"density_atomic": 0.023355622779223078,
"volume": 256.89745277687643,
"volume_molar": 25.78454369179671,
"formula_full": "Pb2 I4",
"formula_reduced": "PbI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0002133333333333,
"spacegroup": 166
},
{
"id": "jvasp-5188",
"created_at": "2022-09-04T14:36:12.126551Z",
"updated_at": "2022-09-04T14:36:12.126584Z",
"structure_string": "Pb2 I2 F2\n1.0\n4.231420 0.000000 0.000000\n0.000000 4.231420 0.000000\n0.000000 0.000000 8.990157\nPb I F\n2 2 2\ndirect\n0.000000 0.500000 0.837309 Pb\n0.500000 0.000000 0.162691 Pb\n0.500000 0.000000 0.663368 I\n0.000000 0.500000 0.336632 I\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pb",
"I",
"F"
],
"chemical_system": "F-I-Pb",
"density": 7.285188603994709,
"density_atomic": 0.037274489601829795,
"volume": 160.96799886712498,
"volume_molar": 16.156199117222453,
"formula_full": "Pb2 I2 F2",
"formula_reduced": "PbIF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-115874",
"created_at": "2022-09-04T14:38:39.984474Z",
"updated_at": "2022-09-04T14:38:39.984501Z",
"structure_string": "Pb2 I2 Cl2\n1.0\n4.701744 0.000000 0.000000\n0.000000 4.701744 0.000000\n0.000000 -0.000000 8.415489\nPb I Cl\n2 2 2\ndirect\n0.000000 0.500000 0.780397 Pb\n0.500000 0.000000 0.219603 Pb\n0.500000 0.000000 0.639570 I\n0.000000 0.500000 0.360431 I\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.000000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"I",
"Cl"
],
"chemical_system": "Cl-I-Pb",
"density": 6.597262485196755,
"density_atomic": 0.03225179834431597,
"volume": 186.03613776648317,
"volume_molar": 18.672263467941896,
"formula_full": "Pb2 I2 Cl2",
"formula_reduced": "PbICl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0009933333333333,
"spacegroup": 129
},
{
"id": "jvasp-105916",
"created_at": "2022-09-04T14:36:11.534784Z",
"updated_at": "2022-09-04T14:36:11.534812Z",
"structure_string": "Pb2 I1 O2\n1.0\n3.902849 -0.007492 -6.358383\n-0.317674 3.889906 -6.358383\n0.006918 0.007492 7.460645\nPb I O\n2 1 2\ndirect\n0.337314 0.337314 0.000001 Pb\n0.662687 0.662688 0.000002 Pb\n0.000000 0.000000 0.000000 I\n0.750001 0.250000 0.500001 O\n0.250001 0.750001 0.500001 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pb",
"I",
"O"
],
"chemical_system": "I-O-Pb",
"density": 8.378731170448429,
"density_atomic": 0.04400628877982605,
"volume": 113.62012427396893,
"volume_molar": 13.684727630930674,
"formula_full": "Pb2 I1 O2",
"formula_reduced": "Pb2IO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.8608429829999997,
"spacegroup": 139
},
{
"id": "jvasp-52662",
"created_at": "2022-09-04T14:37:30.762847Z",
"updated_at": "2022-09-04T14:37:30.762880Z",
"structure_string": "Pb2 F4\n1.0\n4.207150 0.006295 0.000109\n-0.006644 4.207049 0.000497\n-0.000158 -0.000669 5.949834\nPb F\n2 4\ndirect\n0.029964 0.970037 -0.000000 Pb\n0.529964 0.470036 0.500000 Pb\n0.529966 0.969927 0.250088 F\n0.030072 0.470032 0.749918 F\n0.029964 0.469932 0.249912 F\n0.530072 0.970039 0.750081 F\n",
"nsites": 6,
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"elements": [
"Pb",
"F"
],
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"density": 7.732544968281693,
"density_atomic": 0.0569744054971278,
"volume": 105.31044506120335,
"volume_molar": 10.569905394280225,
"formula_full": "Pb2 F4",
"formula_reduced": "PbF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0009333333333333,
"spacegroup": 225
},
{
"id": "jvasp-32797",
"created_at": "2022-09-04T14:38:05.240643Z",
"updated_at": "2022-09-04T14:38:05.240678Z",
"structure_string": "Pb2 Cl8\n1.0\n5.104712 -0.000365 1.434126\n2.315998 5.957336 1.557105\n-0.008666 0.070504 9.835838\nPb Cl\n2 8\ndirect\n0.253381 0.750023 0.249986 Pb\n0.746618 0.249976 0.750015 Pb\n0.121652 0.419858 0.315544 Cl\n0.878348 0.580142 0.684457 Cl\n0.617605 0.185043 0.549388 Cl\n0.351991 0.314913 0.950634 Cl\n0.857081 0.080150 0.184474 Cl\n0.142919 0.919849 0.815528 Cl\n0.382394 0.814957 0.450613 Cl\n0.648007 0.685086 0.049367 Cl\n",
"nsites": 10,
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"elements": [
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"density": 3.8782783900424844,
"density_atomic": 0.03345950623384468,
"volume": 298.8687259791325,
"volume_molar": 17.998295366082044,
"formula_full": "Pb2 Cl8",
"formula_reduced": "PbCl4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.187179627,
"spacegroup": 15
},
{
"id": "jvasp-54472",
"created_at": "2022-09-04T14:37:49.668206Z",
"updated_at": "2022-09-04T14:37:49.668220Z",
"structure_string": "Pb2 Cl4 O8\n1.0\n5.453252 0.000000 -2.618468\n0.000000 6.034343 0.000000\n-0.033337 0.000000 6.918309\nPb Cl O\n2 4 8\ndirect\n0.749999 0.250000 0.500000 Pb\n0.250000 0.750000 0.500000 Pb\n0.069749 0.250000 0.139498 Cl\n0.569749 0.750000 0.139497 Cl\n0.930250 0.750000 0.860502 Cl\n0.430251 0.250000 0.860502 Cl\n0.203287 0.097880 0.716807 O\n0.513520 0.402120 0.716807 O\n0.703287 0.902120 0.716807 O\n0.796712 0.902120 0.283192 O\n0.486480 0.597880 0.283192 O\n0.986479 0.402120 0.283192 O\n0.296712 0.097880 0.283192 O\n0.013520 0.597880 0.716807 O\n",
"nsites": 14,
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"elements": [
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"Cl",
"O"
],
"chemical_system": "Cl-O-Pb",
"density": 5.0021560909927,
"density_atomic": 0.061637999909096707,
"volume": 227.13261333344857,
"volume_molar": 9.770175490576289,
"formula_full": "Pb2 Cl4 O8",
"formula_reduced": "Pb(ClO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6014261364285711,
"spacegroup": 68
}
]
}