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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=1548",
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"results": [
{
"id": "jvasp-32164",
"created_at": "2022-09-04T14:37:47.780530Z",
"updated_at": "2022-09-04T14:37:47.780557Z",
"structure_string": "Pb4 C4 O12\n1.0\n5.229115 0.000000 0.000000\n-0.000000 6.080136 0.000000\n0.000000 0.000000 8.559078\nPb C O\n4 4 12\ndirect\n0.749999 0.744580 0.416707 Pb\n0.749999 0.244580 0.083293 Pb\n0.250000 0.755421 0.916707 Pb\n0.250000 0.255420 0.583293 Pb\n0.250000 0.910585 0.261397 C\n0.749999 0.589416 0.761398 C\n0.250000 0.410585 0.238603 C\n0.749999 0.089415 0.738603 C\n0.964958 0.591188 0.685104 O\n0.035041 0.908813 0.185104 O\n0.535041 0.091187 0.814896 O\n0.749999 0.599411 0.912895 O\n0.749999 0.099411 0.587106 O\n0.250000 0.900590 0.412895 O\n0.535041 0.591188 0.685104 O\n0.035041 0.408813 0.314896 O\n0.964958 0.091187 0.814896 O\n0.464958 0.908813 0.185104 O\n0.464958 0.408813 0.314896 O\n0.250000 0.400590 0.087105 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"C",
"O"
],
"chemical_system": "C-O-Pb",
"density": 6.522161329493107,
"density_atomic": 0.07349563131918446,
"volume": 272.12501805912683,
"volume_molar": 8.19387581534802,
"formula_full": "Pb4 C4 O12",
"formula_reduced": "PbCO3",
"formula_anonymous": "ABC3",
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"spacegroup": 62
},
{
"id": "jvasp-55509",
"created_at": "2022-09-04T14:36:56.815123Z",
"updated_at": "2022-09-04T14:36:56.815145Z",
"structure_string": "Pb4 C4 O12\n1.0\n5.229113 -0.000000 0.000000\n0.000000 6.079996 0.000000\n0.000000 0.000000 8.558502\nPb C O\n4 4 12\ndirect\n0.250000 0.755420 0.083281 Pb\n0.750000 0.244580 0.916719 Pb\n0.250000 0.255420 0.416719 Pb\n0.750000 0.744581 0.583281 Pb\n0.250000 0.910604 0.738614 C\n0.750000 0.089397 0.261386 C\n0.250000 0.410604 0.761386 C\n0.750000 0.589397 0.238614 C\n0.035046 0.408812 0.685083 O\n0.535046 0.591188 0.314917 O\n0.250000 0.900652 0.587106 O\n0.750000 0.099348 0.412894 O\n0.250000 0.400652 0.912894 O\n0.964953 0.591188 0.314917 O\n0.535046 0.091188 0.185083 O\n0.035046 0.908813 0.814917 O\n0.964953 0.091188 0.185083 O\n0.464953 0.408812 0.685083 O\n0.750000 0.599349 0.087106 O\n0.464953 0.908813 0.814917 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Pb",
"C",
"O"
],
"chemical_system": "C-O-Pb",
"density": 6.522752967052188,
"density_atomic": 0.07350229824656024,
"volume": 272.10033532435784,
"volume_molar": 8.193132600832415,
"formula_full": "Pb4 C4 O12",
"formula_reduced": "PbCO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.581816264,
"spacegroup": 62
},
{
"id": "jvasp-29759",
"created_at": "2022-09-04T14:37:08.597941Z",
"updated_at": "2022-09-04T14:37:08.597969Z",
"structure_string": "Pb4 C4 N8\n1.0\n3.838556 0.000000 0.000000\n0.000000 5.587220 0.000000\n0.000000 0.000000 11.927296\nPb C N\n4 4 8\ndirect\n0.471336 0.390862 0.636734 Pb\n0.971336 0.109138 0.136734 Pb\n0.971336 0.609138 0.363266 Pb\n0.471336 0.890862 0.863267 Pb\n0.971220 0.383274 0.897426 C\n0.471219 0.616726 0.102574 C\n0.971220 0.883274 0.602575 C\n0.471219 0.116726 0.397426 C\n0.471214 0.821279 0.060794 N\n0.971214 0.678721 0.560794 N\n0.471234 0.921685 0.350706 N\n0.971235 0.578315 0.850706 N\n0.471234 0.421685 0.149294 N\n0.471214 0.321279 0.439206 N\n0.971214 0.178721 0.939206 N\n0.971235 0.078315 0.649294 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Pb",
"C",
"N"
],
"chemical_system": "C-N-Pb",
"density": 6.419397118140235,
"density_atomic": 0.0625481303046724,
"volume": 255.80300997110353,
"volume_molar": 9.628010830485431,
"formula_full": "Pb4 C4 N8",
"formula_reduced": "PbCN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.15319683,
"spacegroup": 62
},
{
"id": "jvasp-5449",
"created_at": "2022-09-04T14:38:01.751895Z",
"updated_at": "2022-09-04T14:38:01.751930Z",
"structure_string": "Pb4 Br8\n1.0\n4.759235 0.000000 0.000000\n0.000000 8.039449 0.000000\n0.000000 0.000000 9.669496\nPb Br\n4 8\ndirect\n0.250000 0.734148 0.588852 Pb\n0.750001 0.265852 0.411148 Pb\n0.250000 0.234148 0.911148 Pb\n0.750001 0.765852 0.088852 Pb\n0.250000 0.515438 0.338355 Br\n0.750001 0.484562 0.661646 Br\n0.250000 0.015438 0.161646 Br\n0.750001 0.984562 0.838355 Br\n0.750001 0.358237 0.081505 Br\n0.250000 0.641763 0.918495 Br\n0.750001 0.858237 0.418495 Br\n0.250000 0.141763 0.581506 Br\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pb",
"Br"
],
"chemical_system": "Br-Pb",
"density": 6.588967228003749,
"density_atomic": 0.032435005332672344,
"volume": 369.97064982481106,
"volume_molar": 18.56679441928068,
"formula_full": "Pb4 Br8",
"formula_reduced": "PbBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-12473",
"created_at": "2022-09-04T14:38:32.311168Z",
"updated_at": "2022-09-04T14:38:32.311192Z",
"structure_string": "Pb4 Br4 Cl4\n1.0\n4.602543 0.000000 0.000000\n0.000000 7.809562 0.000000\n0.000000 0.000000 9.250005\nPb Br Cl\n4 4 4\ndirect\n0.250000 0.251740 0.604079 Pb\n0.750000 0.748260 0.395920 Pb\n0.250000 0.751740 0.895920 Pb\n0.750000 0.248260 0.104080 Pb\n0.750000 0.972972 0.668164 Br\n0.250000 0.527027 0.168164 Br\n0.750000 0.472972 0.831835 Br\n0.250000 0.027027 0.331835 Br\n0.750000 0.858385 0.069583 Cl\n0.250000 0.641615 0.569583 Cl\n0.750000 0.358385 0.430417 Cl\n0.250000 0.141615 0.930416 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Pb",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Pb",
"density": 6.443903984793506,
"density_atomic": 0.036092315640735076,
"volume": 332.4807451937601,
"volume_molar": 16.685382062887637,
"formula_full": "Pb4 Br4 Cl4",
"formula_reduced": "PbBrCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-103358",
"created_at": "2022-09-04T14:37:12.725262Z",
"updated_at": "2022-09-04T14:37:12.725282Z",
"structure_string": "Pb4 Br2 O2 F2\n1.0\n7.084853 0.032862 0.000000\n-4.690223 5.310181 -0.000000\n-0.000000 -0.000000 5.860352\nPb Br O F\n4 2 2 2\ndirect\n0.399671 0.600329 0.221049 Pb\n0.600329 0.399671 0.778950 Pb\n0.100329 0.899671 0.221049 Pb\n0.899670 0.100329 0.778950 Pb\n0.750000 0.250000 0.233882 Br\n0.250000 0.750000 0.766118 Br\n0.250000 0.250000 0.000000 O\n0.750000 0.750000 0.000000 O\n0.250000 0.250000 0.500000 F\n0.750000 0.750000 0.500000 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Pb",
"Br",
"O",
"F"
],
"chemical_system": "Br-F-O-Pb",
"density": 7.940411368819362,
"density_atomic": 0.04517108640360234,
"volume": 221.38055105981493,
"volume_molar": 13.331848400085729,
"formula_full": "Pb4 Br2 O2 F2",
"formula_reduced": "Pb2BrOF",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.2427399054999998,
"spacegroup": 67
},
{
"id": "jvasp-18305",
"created_at": "2022-09-04T14:38:09.868693Z",
"updated_at": "2022-09-04T14:38:09.868708Z",
"structure_string": "Pb4 Au2\n1.0\n5.062348 -0.000000 2.759636\n2.531174 5.270778 1.379819\n0.008409 -0.000000 6.007643\nPb Au\n4 2\ndirect\n0.159466 0.500000 0.181067 Pb\n0.340532 0.818934 0.500000 Pb\n0.659467 0.181066 0.500000 Pb\n0.840533 0.500000 0.818934 Pb\n0.250000 0.000000 0.000000 Au\n0.750000 0.000000 0.000000 Au\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pb",
"Au"
],
"chemical_system": "Au-Pb",
"density": 12.675977124548705,
"density_atomic": 0.03745863238767605,
"volume": 160.1766967331677,
"volume_molar": 16.07677690331613,
"formula_full": "Pb4 Au2",
"formula_reduced": "Pb2Au",
"formula_anonymous": "AB2",
"energy_above_hull": 0.24461307,
"spacegroup": 140
},
{
"id": "jvasp-110455",
"created_at": "2022-09-04T14:38:39.599972Z",
"updated_at": "2022-09-04T14:38:39.599997Z",
"structure_string": "Pb4\n1.0\n3.539629 0.000000 0.000000\n-1.769814 3.065408 -0.000000\n0.000000 0.000000 11.601051\nPb\n4\ndirect\n0.000000 0.000000 0.000000 Pb\n0.333334 0.666667 0.250000 Pb\n0.000000 0.000000 0.500000 Pb\n0.666668 0.333333 0.750000 Pb\n",
"nsites": 4,
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"elements": [
"Pb"
],
"chemical_system": "Pb",
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"density_atomic": 0.03177727294143665,
"volume": 125.87612559994457,
"volume_molar": 18.95109366715764,
"formula_full": "Pb4",
"formula_reduced": "Pb",
"formula_anonymous": "A",
"energy_above_hull": 0.0098908199999999,
"spacegroup": 194
},
{
"id": "jvasp-94950",
"created_at": "2022-09-04T14:36:14.522865Z",
"updated_at": "2022-09-04T14:36:14.522897Z",
"structure_string": "Pb3 N4\n1.0\n4.901756 -1.414158 -1.095091\n0.303195 5.092653 -1.095091\n0.303195 0.214277 5.204654\nPb N\n3 4\ndirect\n0.611514 0.064716 0.064717 Pb\n0.064717 0.611513 0.064717 Pb\n0.064717 0.064717 0.611513 Pb\n0.201536 0.492740 0.492740 N\n0.492741 0.201535 0.492740 N\n0.492741 0.492740 0.201535 N\n0.407039 0.407038 0.407038 N\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Pb",
"N"
],
"chemical_system": "N-Pb",
"density": 8.310716817069977,
"density_atomic": 0.05170075114256572,
"volume": 135.3945512454428,
"volume_molar": 11.648072081958428,
"formula_full": "Pb3 N4",
"formula_reduced": "Pb3N4",
"formula_anonymous": "A3B4",
"energy_above_hull": 3.575212208571428,
"spacegroup": 160
},
{
"id": "jvasp-29946",
"created_at": "2022-09-04T14:38:13.946194Z",
"updated_at": "2022-09-04T14:38:13.946223Z",
"structure_string": "Pb3 I6\n1.0\n4.846493 0.171701 20.755236\n2.536486 4.133307 20.755236\n0.294463 0.171701 21.311537\nPb I\n3 6\ndirect\n0.000000 0.000000 0.000000 Pb\n0.555463 0.555464 0.555464 Pb\n0.444536 0.444537 0.444537 Pb\n0.081334 0.081334 0.081334 I\n0.303451 0.303452 0.303452 I\n0.807757 0.807758 0.807758 I\n0.192242 0.192242 0.192242 I\n0.918665 0.918667 0.918667 I\n0.696548 0.696549 0.696549 I\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Pb",
"I"
],
"chemical_system": "I-Pb",
"density": 5.962205806969824,
"density_atomic": 0.023365214537099707,
"volume": 385.18798899576285,
"volume_molar": 25.773958764375717,
"formula_full": "Pb3 I6",
"formula_reduced": "PbI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0003233333333333,
"spacegroup": 166
},
{
"id": "jvasp-29527",
"created_at": "2022-09-04T14:37:50.646619Z",
"updated_at": "2022-09-04T14:37:50.646639Z",
"structure_string": "Pb3 I6\n1.0\n4.585485 -0.000000 -0.000000\n-2.292742 3.971146 -0.000000\n-0.000000 -0.000000 21.147016\nPb I\n3 6\ndirect\n0.666667 0.333333 0.666613 Pb\n0.000000 0.000000 0.333094 Pb\n0.000000 0.000000 0.000272 Pb\n0.333333 0.666668 0.422738 I\n0.333333 0.666668 0.089963 I\n0.000000 0.000000 0.576974 I\n0.666667 0.333333 0.910636 I\n0.666667 0.333333 0.243428 I\n0.333333 0.666668 0.756283 I\n",
"nsites": 9,
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"elements": [
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],
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"density": 5.963887936522761,
"density_atomic": 0.02337180661378341,
"volume": 385.0793457572207,
"volume_molar": 25.766689154652134,
"formula_full": "Pb3 I6",
"formula_reduced": "PbI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0001466666666666,
"spacegroup": 156
},
{
"id": "jvasp-51629",
"created_at": "2022-09-04T14:38:35.880713Z",
"updated_at": "2022-09-04T14:38:35.880739Z",
"structure_string": "Pb2 W2 O8\n1.0\n5.498980 0.311715 -0.002824\n-0.313331 5.501595 -0.003277\n-2.590023 -2.903158 6.047133\nPb W O\n2 2 8\ndirect\n0.625893 0.375447 0.248589 Pb\n0.375916 0.625463 0.748631 Pb\n0.125936 0.875490 0.248680 W\n0.875858 0.125421 0.748541 W\n0.810205 0.648853 0.082866 O\n0.649282 0.275374 0.582864 O\n0.352568 0.725628 0.414408 O\n0.275835 0.936270 0.082855 O\n0.065031 0.191115 0.414365 O\n0.191604 0.352024 0.914373 O\n0.725953 0.064589 0.914347 O\n-0.063231 0.809837 0.582801 O\n",
"nsites": 12,
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"elements": [
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"W",
"O"
],
"chemical_system": "O-Pb-W",
"density": 8.238063903461928,
"density_atomic": 0.06541540360664773,
"volume": 183.44303234996048,
"volume_molar": 9.205998018772462,
"formula_full": "Pb2 W2 O8",
"formula_reduced": "PbWO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.943284136666667,
"spacegroup": 88
}
]
}