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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1526",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1524",
"results": [
{
"id": "jvasp-115712",
"created_at": "2022-09-04T14:38:44.759161Z",
"updated_at": "2022-09-04T14:38:44.759189Z",
"structure_string": "Rb1 Pd1 Br1\n1.0\n3.955710 0.000000 0.000000\n0.000000 3.955710 0.000000\n0.000000 -0.000000 7.991379\nRb Pd Br\n1 1 1\ndirect\n0.000000 0.000000 0.631212 Rb\n0.000000 0.000000 0.309621 Pd\n0.000000 0.000000 0.004312 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"Pd",
"Br"
],
"chemical_system": "Br-Pd-Rb",
"density": 3.6092322462463904,
"density_atomic": 0.02399112625539623,
"volume": 125.04623451453105,
"volume_molar": 25.101534191815873,
"formula_full": "Rb1 Pd1 Br1",
"formula_reduced": "RbPdBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3614716166666666,
"spacegroup": 99
},
{
"id": "jvasp-88845",
"created_at": "2022-09-04T14:36:04.711657Z",
"updated_at": "2022-09-04T14:36:04.711685Z",
"structure_string": "Rb8 Pb4 O12\n1.0\n6.131066 0.000000 0.000000\n0.000000 7.363373 0.000000\n0.000000 0.000000 10.960471\nRb Pb O\n8 4 12\ndirect\n0.766675 0.393675 0.913721 Rb\n0.733326 0.893674 0.086279 Rb\n0.266675 0.106325 0.913721 Rb\n0.266675 0.106325 0.586279 Rb\n0.233325 0.606325 0.413721 Rb\n0.733326 0.893674 0.413721 Rb\n0.233325 0.606325 0.086279 Rb\n0.766675 0.393675 0.586279 Rb\n0.764516 0.345254 0.250000 Pb\n0.235484 0.654745 0.750000 Pb\n0.264516 0.154746 0.250000 Pb\n0.735485 0.845254 0.750000 Pb\n0.504888 0.273624 0.118494 O\n0.004888 0.226376 0.381506 O\n0.154482 0.383662 0.750000 O\n0.495112 0.726376 0.881506 O\n0.995113 0.773624 0.881506 O\n0.004888 0.226376 0.118494 O\n0.845519 0.616337 0.250000 O\n0.495112 0.726376 0.618494 O\n0.345518 0.883662 0.250000 O\n0.654482 0.116338 0.750000 O\n0.504888 0.273624 0.381506 O\n0.995113 0.773624 0.618494 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"O"
],
"chemical_system": "O-Pb-Rb",
"density": 5.720224349773815,
"density_atomic": 0.04850307047930282,
"volume": 494.81403471644654,
"volume_molar": 12.415999029524865,
"formula_full": "Rb8 Pb4 O12",
"formula_reduced": "Rb2PbO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.8065468866666665,
"spacegroup": 62
},
{
"id": "jvasp-12384",
"created_at": "2022-09-04T14:38:06.285486Z",
"updated_at": "2022-09-04T14:38:06.285510Z",
"structure_string": "Rb4 Pb2 O6\n1.0\n6.117326 0.000000 0.000000\n0.000000 6.162082 -2.417757\n0.000000 -0.086343 6.618864\nRb Pb O\n4 2 6\ndirect\n0.267295 0.481573 0.807041 Rb\n0.767296 0.192959 0.518426 Rb\n0.767296 0.518427 0.192958 Rb\n0.267295 0.807042 0.481572 Rb\n0.741318 0.904442 0.904441 Pb\n0.241318 0.095558 0.095558 Pb\n0.659641 0.634280 0.634280 O\n0.159641 0.365720 0.365719 O\n0.002226 0.845319 0.107496 O\n0.502226 0.154681 0.892503 O\n0.002226 0.107497 0.845319 O\n0.502226 0.892503 0.154680 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"O"
],
"chemical_system": "O-Pb-Rb",
"density": 5.701394513715443,
"density_atomic": 0.048343408058808934,
"volume": 248.22412158866013,
"volume_molar": 12.457005001952217,
"formula_full": "Rb4 Pb2 O6",
"formula_reduced": "Rb2PbO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.80677022,
"spacegroup": 36
},
{
"id": "jvasp-53402",
"created_at": "2022-09-04T14:38:10.685283Z",
"updated_at": "2022-09-04T14:38:10.685314Z",
"structure_string": "Rb2 Pb2 F6\n1.0\n6.502075 -0.096473 -0.107529\n3.041898 5.757647 -0.067285\n3.074421 1.783539 5.457110\nRb Pb F\n2 2 6\ndirect\n0.757215 0.787042 0.789361 Rb\n0.257209 0.287319 0.289065 Rb\n0.011753 0.042204 0.044193 Pb\n0.511748 0.542089 0.544320 Pb\n0.818321 0.376930 0.197063 F\n0.164644 0.849572 0.378747 F\n0.664628 0.876633 0.351692 F\n0.318498 0.695017 0.878967 F\n0.347007 0.194538 0.851925 F\n0.847117 0.349659 0.696583 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"F"
],
"chemical_system": "F-Pb-Rb",
"density": 5.582498108310224,
"density_atomic": 0.04807284226426186,
"volume": 208.0176567266164,
"volume_molar": 12.527116093730449,
"formula_full": "Rb2 Pb2 F6",
"formula_reduced": "RbPbF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.999999999890978e-06,
"spacegroup": 161
},
{
"id": "jvasp-100568",
"created_at": "2022-09-04T14:36:40.124932Z",
"updated_at": "2022-09-04T14:36:40.124942Z",
"structure_string": "Rb2 Pb2 F6\n1.0\n6.508359 -0.132583 6.801424\n3.052648 4.637436 3.400660\n0.000536 -0.000247 6.802415\nRb Pb F\n2 2 6\ndirect\n0.242967 0.423504 0.546353 Rb\n0.742995 0.423477 0.546270 Rb\n0.988166 0.913590 0.056060 Pb\n0.488152 0.913604 0.056117 Pb\n0.181171 0.426003 0.015855 F\n0.835350 0.771787 0.543598 F\n0.335386 0.771651 0.016056 F\n0.681219 0.426026 0.197806 F\n0.653215 0.953732 0.198264 F\n0.153233 0.953725 0.543676 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"F"
],
"chemical_system": "F-Pb-Rb",
"density": 5.581697723264447,
"density_atomic": 0.048065949868902336,
"volume": 208.0474853253611,
"volume_molar": 12.52891241393359,
"formula_full": "Rb2 Pb2 F6",
"formula_reduced": "RbPbF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 161
},
{
"id": "jvasp-8464",
"created_at": "2022-09-04T14:37:03.380790Z",
"updated_at": "2022-09-04T14:37:03.380810Z",
"structure_string": "Rb1 Pb1 F3\n1.0\n4.812572 -0.000000 0.000000\n-0.000000 4.812572 -0.000000\n0.000000 -0.000000 4.812572\nRb Pb F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Pb\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"F"
],
"chemical_system": "F-Pb-Rb",
"density": 5.20915246514425,
"density_atomic": 0.04485783244862935,
"volume": 111.4632546217194,
"volume_molar": 13.424948177994297,
"formula_full": "Rb1 Pb1 F3",
"formula_reduced": "RbPbF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0098099999999999,
"spacegroup": 221
},
{
"id": "jvasp-3678",
"created_at": "2022-09-04T14:36:06.044301Z",
"updated_at": "2022-09-04T14:36:06.044327Z",
"structure_string": "Rb2 Pb1 Cl6\n1.0\n6.245357 -0.000000 3.605759\n2.081786 5.888180 3.605759\n0.000000 0.000000 7.211518\nRb Pb Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Pb\n0.251490 0.748511 0.748511 Cl\n0.251490 0.748511 0.251489 Cl\n0.748511 0.251489 0.748511 Cl\n0.748511 0.251489 0.251489 Cl\n0.748511 0.748511 0.251489 Cl\n0.251490 0.251489 0.748511 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"Cl"
],
"chemical_system": "Cl-Pb-Rb",
"density": 3.6996781530774423,
"density_atomic": 0.03393731433811321,
"volume": 265.19482096709623,
"volume_molar": 17.744894896520588,
"formula_full": "Rb2 Pb1 Cl6",
"formula_reduced": "Rb2PbCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-36966",
"created_at": "2022-09-04T14:38:03.899002Z",
"updated_at": "2022-09-04T14:38:03.899025Z",
"structure_string": "Rb1 Pb1 Cl3\n1.0\n5.664502 0.002380 -0.047154\n-0.000118 5.625062 0.002507\n-0.063257 -0.004253 5.677446\nRb Pb Cl\n1 1 3\ndirect\n0.071050 0.000078 0.956454 Rb\n0.488605 0.500013 0.499134 Pb\n0.432687 0.000056 0.477250 Cl\n0.984488 0.500300 0.556283 Cl\n0.463168 0.499556 0.000886 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"Cl"
],
"chemical_system": "Cl-Pb-Rb",
"density": 3.66310390035721,
"density_atomic": 0.027641911914286842,
"volume": 180.88473820133,
"volume_molar": 21.78626709568317,
"formula_full": "Rb1 Pb1 Cl3",
"formula_reduced": "RbPbCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.01445,
"spacegroup": 6
},
{
"id": "jvasp-103660",
"created_at": "2022-09-04T14:36:40.673404Z",
"updated_at": "2022-09-04T14:36:40.673438Z",
"structure_string": "Rb1 Pb1 Cl3\n1.0\n5.639713 -0.000000 0.000000\n0.000000 5.639713 0.000000\n-0.000000 -0.000000 5.639713\nRb Pb Cl\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Pb\n0.500000 0.000000 -0.000000 Cl\n-0.000000 0.500000 -0.000000 Cl\n0.000000 0.000000 0.500000 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Pb",
"Cl"
],
"chemical_system": "Cl-Pb-Rb",
"density": 3.6938576222187685,
"density_atomic": 0.027873980589884814,
"volume": 179.3787573280599,
"volume_molar": 21.604882519669165,
"formula_full": "Rb1 Pb1 Cl3",
"formula_reduced": "RbPbCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0122039999999999,
"spacegroup": 221
},
{
"id": "jvasp-36965",
"created_at": "2022-09-04T14:38:08.045428Z",
"updated_at": "2022-09-04T14:38:08.045452Z",
"structure_string": "Rb2 Pb2 Cl6\n1.0\n0.000000 4.270273 0.000054\n10.786260 0.000000 0.000000\n0.000000 -2.134149 -6.840926\nRb Pb Cl\n2 2 6\ndirect\n0.749216 0.009544 0.498446 Rb\n0.250784 0.509544 0.501555 Rb\n-0.000005 0.759540 -0.000012 Pb\n0.000005 0.259540 0.000012 Pb\n0.640633 0.706727 0.281230 Cl\n0.359367 0.206727 0.718771 Cl\n0.640645 0.312351 0.281255 Cl\n0.359355 0.812351 0.718746 Cl\n0.069369 0.009539 0.138803 Cl\n0.930631 0.509539 0.861198 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Pb",
"Cl"
],
"chemical_system": "Cl-Pb-Rb",
"density": 4.205730636449858,
"density_atomic": 0.0317365925046865,
"volume": 315.0936887292898,
"volume_molar": 18.975385461154087,
"formula_full": "Rb2 Pb2 Cl6",
"formula_reduced": "RbPbCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-115912",
"created_at": "2022-09-04T14:38:40.291227Z",
"updated_at": "2022-09-04T14:38:40.291237Z",
"structure_string": "Rb1 Pb1 Cl1\n1.0\n5.950071 0.000000 0.000000\n-2.975036 5.152913 -0.000000\n0.000000 -0.000000 3.479665\nRb Pb Cl\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Rb\n0.333333 0.666667 0.000000 Pb\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"Pb",
"Cl"
],
"chemical_system": "Cl-Pb-Rb",
"density": 5.107054192132009,
"density_atomic": 0.028119582078852158,
"volume": 106.68721859334475,
"volume_molar": 21.41618158873371,
"formula_full": "Rb1 Pb1 Cl1",
"formula_reduced": "RbPbCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0678833333333333,
"spacegroup": 187
},
{
"id": "jvasp-115913",
"created_at": "2022-09-04T14:38:40.341802Z",
"updated_at": "2022-09-04T14:38:40.341816Z",
"structure_string": "Rb1 Pb1 Cl1\n1.0\n3.703943 -0.000000 0.000000\n0.000000 3.703943 0.000000\n-0.000000 0.000000 9.120147\nRb Pb Cl\n1 1 1\ndirect\n0.000000 0.000000 -0.036911 Rb\n0.000000 0.000000 0.570912 Pb\n0.000000 0.000000 0.283409 Cl\n",
"nsites": 3,
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"elements": [
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"Pb",
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],
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"density": 4.354641743504919,
"density_atomic": 0.02397677826076949,
"volume": 125.12106369639173,
"volume_molar": 25.1165552540199,
"formula_full": "Rb1 Pb1 Cl1",
"formula_reduced": "RbPbCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.07583,
"spacegroup": 99
}
]
}