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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=265",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=263",
"results": [
{
"id": "jvasp-103435",
"created_at": "2022-09-04T14:36:41.774182Z",
"updated_at": "2022-09-04T14:36:41.774211Z",
"structure_string": "Pb2 Se1 S1\n1.0\n4.121976 0.000709 6.212839\n1.874088 3.671305 6.212839\n0.001157 0.000709 7.455874\nPb Se S\n2 1 1\ndirect\n0.246856 0.246856 0.246855 Pb\n0.753146 0.753146 0.753142 Pb\n0.000000 0.000000 0.000000 Se\n0.500001 0.500001 0.499998 S\n",
"nsites": 4,
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"elements": [
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"Se",
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"density": 7.735941674712695,
"density_atomic": 0.03546609292848222,
"volume": 112.78377937107551,
"volume_molar": 16.979994870435025,
"formula_full": "Pb2 Se1 S1",
"formula_reduced": "Pb2SeS",
"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-109695",
"created_at": "2022-09-04T14:38:27.978556Z",
"updated_at": "2022-09-04T14:38:27.978578Z",
"structure_string": "Pb4 Se1 S3\n1.0\n4.247326 0.014146 13.523292\n2.085504 3.700088 13.523292\n0.024120 0.014146 14.174576\nPb Se S\n4 1 3\ndirect\n0.874220 0.874223 0.874220 Pb\n0.125779 0.125779 0.125779 Pb\n0.377393 0.377394 0.377393 Pb\n0.622606 0.622608 0.622606 Pb\n0.000000 0.000000 0.000000 Se\n0.248469 0.248470 0.248469 S\n0.499999 0.500001 0.499999 S\n0.751530 0.751533 0.751530 S\n",
"nsites": 8,
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"elements": [
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],
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"density": 7.552823961231068,
"density_atomic": 0.03624399025514302,
"volume": 220.7262485086007,
"volume_molar": 16.615556724319166,
"formula_full": "Pb4 Se1 S3",
"formula_reduced": "Pb4SeS3",
"formula_anonymous": "AB3C4",
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"spacegroup": 166
},
{
"id": "jvasp-87934",
"created_at": "2022-09-04T14:36:08.994479Z",
"updated_at": "2022-09-04T14:36:08.994499Z",
"structure_string": "Sc8 Pb4 S16\n1.0\n3.766233 -0.000000 0.000000\n0.000000 11.735033 0.000000\n0.000000 0.000000 13.732471\nSc Pb S\n8 4 16\ndirect\n0.749999 0.582811 0.096397 Sc\n0.250000 0.417189 0.903602 Sc\n0.749999 0.082811 0.403602 Sc\n0.250000 0.917189 0.596397 Sc\n0.250000 0.943251 0.110843 Sc\n0.749999 0.056749 0.889157 Sc\n0.250000 0.443251 0.389157 Sc\n0.749999 0.556749 0.610843 Sc\n0.250000 0.259700 0.171057 Pb\n0.250000 0.759699 0.328943 Pb\n0.749999 0.240300 0.671057 Pb\n0.749999 0.740300 0.828943 Pb\n0.250000 0.702771 0.656498 S\n0.749999 0.297228 0.343502 S\n0.250000 0.911947 0.927446 S\n0.749999 0.878428 0.471051 S\n0.250000 0.121572 0.528949 S\n0.749999 0.378428 0.028949 S\n0.250000 0.621572 0.971051 S\n0.749999 0.468254 0.784293 S\n0.250000 0.531746 0.215707 S\n0.749999 0.968254 0.715707 S\n0.250000 0.031746 0.284293 S\n0.749999 0.588053 0.427446 S\n0.250000 0.411947 0.572554 S\n0.749999 0.088053 0.072554 S\n0.749999 0.797228 0.156498 S\n0.250000 0.202771 0.843502 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sc",
"Pb",
"S"
],
"chemical_system": "Pb-S-Sc",
"density": 4.655192217608329,
"density_atomic": 0.04613365262831174,
"volume": 606.9322155258241,
"volume_molar": 13.05368297741132,
"formula_full": "Sc8 Pb4 S16",
"formula_reduced": "Sc2PbS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.885084474285714,
"spacegroup": 62
},
{
"id": "jvasp-99505",
"created_at": "2022-09-04T14:36:46.453312Z",
"updated_at": "2022-09-04T14:36:46.453327Z",
"structure_string": "Sb1 Pb1 S2\n1.0\n6.164230 -0.009575 0.000000\n-4.947539 3.676912 0.000000\n0.000000 -0.000000 4.419322\nSb Pb S\n1 1 2\ndirect\n0.869874 0.130124 -0.000000 Sb\n0.116635 0.883364 0.500000 Pb\n0.361178 0.638820 0.500000 S\n0.652310 0.347688 -0.000000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sb",
"Pb",
"S"
],
"chemical_system": "Pb-S-Sb",
"density": 6.530283604737746,
"density_atomic": 0.04001759096801367,
"volume": 99.956041911599,
"volume_molar": 15.048733855102718,
"formula_full": "Sb1 Pb1 S2",
"formula_reduced": "SbPbS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.33113923,
"spacegroup": 38
},
{
"id": "jvasp-35091",
"created_at": "2022-09-04T14:37:33.920396Z",
"updated_at": "2022-09-04T14:37:33.920429Z",
"structure_string": "Sr2 Zn2 Pb2\n1.0\n2.378605 -4.119866 0.000000\n2.378605 4.119866 -0.000000\n0.000000 -0.000000 9.034696\nSr Zn Pb\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.333334 0.666668 0.250000 Zn\n0.666668 0.333334 0.750000 Zn\n0.333334 0.666668 0.750000 Pb\n0.666668 0.333334 0.250000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Zn",
"Pb"
],
"chemical_system": "Pb-Sr-Zn",
"density": 6.75629817220038,
"density_atomic": 0.033884594485937086,
"volume": 177.071618858834,
"volume_molar": 17.772503556149484,
"formula_full": "Sr2 Zn2 Pb2",
"formula_reduced": "SrZnPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-104874",
"created_at": "2022-09-04T14:36:55.034316Z",
"updated_at": "2022-09-04T14:36:55.034342Z",
"structure_string": "Sr2 Tl1 Pb1\n1.0\n5.000422 -0.000000 2.886995\n1.666807 4.714443 2.886995\n-0.000000 -0.000000 5.773990\nSr Tl Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.749999 0.750001 Sr\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500001 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Tl",
"Pb"
],
"chemical_system": "Pb-Sr-Tl",
"density": 7.15885181608908,
"density_atomic": 0.029386435972374322,
"volume": 136.11722101177327,
"volume_molar": 20.49292661982321,
"formula_full": "Sr2 Tl1 Pb1",
"formula_reduced": "Sr2TlPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-13124",
"created_at": "2022-09-04T14:37:06.980810Z",
"updated_at": "2022-09-04T14:37:06.980840Z",
"structure_string": "Sr8 Pb4\n1.0\n5.429354 -0.000000 0.000000\n-0.000000 8.346869 0.000000\n0.000000 0.000000 10.130241\nSr Pb\n8 4\ndirect\n0.250000 0.480081 0.184039 Sr\n0.749999 0.519919 0.815961 Sr\n0.250000 0.980081 0.315961 Sr\n0.749999 0.019919 0.684039 Sr\n0.749999 0.158990 0.074708 Sr\n0.250000 0.841010 0.925291 Sr\n0.749999 0.658990 0.425292 Sr\n0.250000 0.341010 0.574708 Sr\n0.250000 0.751287 0.604457 Pb\n0.749999 0.248713 0.395543 Pb\n0.250000 0.251287 0.895543 Pb\n0.749999 0.748713 0.104457 Pb\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sr",
"Pb"
],
"chemical_system": "Pb-Sr",
"density": 5.533257282905205,
"density_atomic": 0.02613904473679454,
"volume": 459.08334144699023,
"volume_molar": 23.038870856374313,
"formula_full": "Sr8 Pb4",
"formula_reduced": "Sr2Pb",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-53233",
"created_at": "2022-09-04T14:36:58.433224Z",
"updated_at": "2022-09-04T14:36:58.433253Z",
"structure_string": "Sr4 Pb6\n1.0\n8.399256 0.000000 0.000000\n0.000000 8.399256 0.000000\n0.000000 0.000000 4.933272\nSr Pb\n4 6\ndirect\n0.672397 0.172397 0.000000 Sr\n0.172397 0.327603 0.000000 Sr\n0.827603 0.672397 0.000000 Sr\n0.327603 0.827603 0.000000 Sr\n0.129558 0.629558 0.500000 Pb\n0.870442 0.370442 0.500000 Pb\n0.629558 0.870442 0.500000 Pb\n0.000000 0.000000 0.500000 Pb\n0.370442 0.129558 0.500000 Pb\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 10,
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"elements": [
"Sr",
"Pb"
],
"chemical_system": "Pb-Sr",
"density": 7.603849668329518,
"density_atomic": 0.028733154106460657,
"volume": 348.0300130973612,
"volume_molar": 20.958857275769525,
"formula_full": "Sr4 Pb6",
"formula_reduced": "Sr2Pb3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.145880164,
"spacegroup": 127
},
{
"id": "jvasp-17967",
"created_at": "2022-09-04T14:38:14.099778Z",
"updated_at": "2022-09-04T14:38:14.099805Z",
"structure_string": "Sr2 Pb2\n1.0\n4.669600 -0.000000 0.000000\n0.000000 4.683063 -1.921472\n-0.000000 -0.016458 6.627468\nSr Pb\n2 2\ndirect\n0.250000 0.867064 0.734131 Sr\n0.750000 0.132935 0.265870 Sr\n0.250000 0.586034 0.172069 Pb\n0.750000 0.413965 0.827931 Pb\n",
"nsites": 4,
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"elements": [
"Sr",
"Pb"
],
"chemical_system": "Pb-Sr",
"density": 6.762720601556639,
"density_atomic": 0.027627742620717734,
"volume": 144.78200607676303,
"volume_molar": 21.79744050273606,
"formula_full": "Sr2 Pb2",
"formula_reduced": "SrPb",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-17986",
"created_at": "2022-09-04T14:38:14.142161Z",
"updated_at": "2022-09-04T14:38:14.142183Z",
"structure_string": "Sr1 Pb3\n1.0\n5.011463 0.000000 0.000000\n0.000000 5.011463 0.000000\n0.000000 0.000000 5.012549\nSr Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Pb\n0.500000 0.000000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Pb-Sr",
"density": 9.354969675020369,
"density_atomic": 0.03177403017849072,
"volume": 125.88897214265823,
"volume_molar": 18.95302775937017,
"formula_full": "Sr1 Pb3",
"formula_reduced": "SrPb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.15074041,
"spacegroup": 221
},
{
"id": "jvasp-81225",
"created_at": "2022-09-04T14:37:16.733715Z",
"updated_at": "2022-09-04T14:37:16.733740Z",
"structure_string": "Tl1 Sn1 Pb2\n1.0\n-10.258371 0.000786 -5.921391\n-10.198413 0.379817 5.817502\n-6.998356 9.430943 0.274842\nTl Sn Pb\n1 1 2\ndirect\n0.500000 -0.000000 0.000000 Tl\n0.000001 -0.000000 0.000000 Sn\n0.767680 -0.000000 0.000000 Pb\n0.232321 0.000000 0.000000 Pb\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Pb-Sn-Tl",
"density": 1.097832733007315,
"density_atomic": 0.003585824170275323,
"volume": 1115.5036638879246,
"volume_molar": 167.94300205572029,
"formula_full": "Tl1 Sn1 Pb2",
"formula_reduced": "TlSnPb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.414031485,
"spacegroup": 71
},
{
"id": "jvasp-111005",
"created_at": "2022-09-04T14:38:37.098314Z",
"updated_at": "2022-09-04T14:38:37.098323Z",
"structure_string": "Sn1 Te2 Pb1\n1.0\n4.391973 0.002587 6.625197\n1.998475 3.910951 6.625197\n0.004224 0.002587 7.948751\nSn Te Pb\n1 2 1\ndirect\n0.499998 0.500001 0.500001 Sn\n0.247680 0.247682 0.247682 Te\n0.752316 0.752320 0.752320 Te\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
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"elements": [
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],
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"density": 7.077437736549962,
"density_atomic": 0.029337871510983254,
"volume": 136.34254272681355,
"volume_molar": 20.526849596929633,
"formula_full": "Sn1 Te2 Pb1",
"formula_reduced": "SnTe2Pb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5278070133333335,
"spacegroup": 166
}
]
}