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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1300",
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"results": [
{
"id": "jvasp-95640",
"created_at": "2022-09-04T14:36:32.185471Z",
"updated_at": "2022-09-04T14:36:32.185488Z",
"structure_string": "Rb2 Pd4 F10\n1.0\n5.680216 0.000000 2.739786\n1.930803 6.263174 3.255096\n-0.028772 -0.026850 7.317749\nRb Pd F\n2 4 10\ndirect\n0.607090 0.142911 0.642911 Rb\n0.392911 0.857089 0.357090 Rb\n0.000000 0.500000 0.500001 Pd\n0.000000 0.000000 0.000000 Pd\n-0.000000 0.500000 0.000000 Pd\n0.500000 0.500000 0.000001 Pd\n0.850213 0.450733 0.312088 F\n0.613034 0.549266 0.687913 F\n0.149788 0.187912 0.049267 F\n0.386967 0.812087 0.950734 F\n0.149788 0.549266 0.687913 F\n0.386967 0.450733 0.312088 F\n0.902333 0.847667 0.347669 F\n0.097668 0.152332 0.652333 F\n0.613033 0.187912 0.049267 F\n0.850213 0.812087 0.950734 F\n",
"nsites": 16,
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"elements": [
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],
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"density": 5.000960775700714,
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"volume": 261.18569556790146,
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"formula_full": "Rb2 Pd4 F10",
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},
{
"id": "jvasp-54507",
"created_at": "2022-09-04T14:38:34.577636Z",
"updated_at": "2022-09-04T14:38:34.577665Z",
"structure_string": "Rb2 Pb2 I2 O12\n1.0\n2.772394 -4.801929 -0.000000\n2.772394 4.801929 0.000000\n0.000000 -0.000000 12.262958\nRb Pb I O\n2 2 2 12\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Rb\n0.666666 0.333332 0.250000 Pb\n0.333332 0.666666 0.750000 Pb\n0.333332 0.666666 0.250000 I\n0.666666 0.333332 0.750000 I\n0.039187 0.638911 0.157968 O\n0.638910 0.599723 0.657968 O\n0.599722 0.960811 0.157968 O\n0.039187 0.400276 0.342032 O\n0.960812 0.361088 0.657968 O\n0.400276 0.361088 0.842032 O\n0.638911 0.039187 0.842032 O\n0.361088 0.400276 0.157968 O\n0.960811 0.599722 0.842032 O\n0.400276 0.039187 0.657968 O\n0.599723 0.638910 0.342032 O\n0.361088 0.960812 0.342032 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Rb",
"Pb",
"I",
"O"
],
"chemical_system": "I-O-Pb-Rb",
"density": 5.244084611765352,
"density_atomic": 0.05512855179947812,
"volume": 326.50957466599726,
"volume_molar": 10.923814545146476,
"formula_full": "Rb2 Pb2 I2 O12",
"formula_reduced": "RbPbIO6",
"formula_anonymous": "ABCD6",
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"spacegroup": 182
},
{
"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": [
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],
"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-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": [
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"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-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,
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"elements": [
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],
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"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-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-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": [
"Rb",
"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-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,
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"elements": [
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],
"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-115916",
"created_at": "2022-09-04T14:38:39.934372Z",
"updated_at": "2022-09-04T14:38:39.934400Z",
"structure_string": "Rb1 Pb1 Cl3\n1.0\n5.635461 0.000000 -0.000000\n-0.000000 5.635461 -0.000000\n0.000000 0.000000 5.635461\nRb Pb Cl\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Pb\n0.000000 0.500000 0.500000 Cl\n0.500000 0.000000 0.500000 Cl\n0.500000 0.500000 0.000000 Cl\n",
"nsites": 5,
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"elements": [
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],
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"density": 3.7022250669255206,
"density_atomic": 0.027937121624325347,
"volume": 178.9733411779405,
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"formula_full": "Rb1 Pb1 Cl3",
"formula_reduced": "RbPbCl3",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"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,
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"volume": 106.68721859334475,
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"formula_full": "Rb1 Pb1 Cl1",
"formula_reduced": "RbPbCl",
"formula_anonymous": "ABC",
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"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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"formula_full": "Rb1 Pb1 Cl1",
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"spacegroup": 99
},
{
"id": "jvasp-115911",
"created_at": "2022-09-04T14:38:39.880349Z",
"updated_at": "2022-09-04T14:38:39.880374Z",
"structure_string": "Rb1 Pb1 Cl1\n1.0\n5.846391 -0.319868 0.000000\n-0.322920 6.103081 0.000000\n0.000000 0.000000 3.467162\nRb Pb Cl\n1 1 1\ndirect\n-0.058048 0.449783 0.000000 Rb\n0.435577 -0.047462 0.000000 Pb\n-0.065684 -0.051001 0.000000 Cl\n",
"nsites": 3,
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"formula_full": "Rb1 Pb1 Cl1",
"formula_reduced": "RbPbCl",
"formula_anonymous": "ABC",
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}
]
}