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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=1574",
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"results": [
{
"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,
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"formula_full": "Rb2 Pb2 F6",
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{
"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,
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"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,
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"elements": [
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"Pb",
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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-3447",
"created_at": "2022-09-04T14:36:22.036837Z",
"updated_at": "2022-09-04T14:36:22.036860Z",
"structure_string": "Pt1 Pb1 F6\n1.0\n4.812049 -0.000047 -0.664007\n-0.761917 4.751348 -0.664007\n-0.000040 -0.000047 4.857646\nPt Pb F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 Pb\n0.705575 0.705575 0.062621 F\n0.705575 0.062621 0.705575 F\n0.294424 0.937378 0.294424 F\n0.294424 0.294424 0.937378 F\n0.937378 0.294424 0.294424 F\n0.062621 0.705575 0.705575 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Pt",
"Pb",
"F"
],
"chemical_system": "F-Pb-Pt",
"density": 7.718960424908252,
"density_atomic": 0.07203094243989382,
"volume": 111.0633809445933,
"volume_molar": 8.360491416623033,
"formula_full": "Pt1 Pb1 F6",
"formula_reduced": "PtPbF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.053597989375,
"spacegroup": 166
},
{
"id": "jvasp-12341",
"created_at": "2022-09-04T14:38:13.800732Z",
"updated_at": "2022-09-04T14:38:13.800758Z",
"structure_string": "Pd2 Pb2 F8\n1.0\n5.358743 0.000000 -2.554002\n-1.217249 5.218662 -2.554002\n-0.020795 -0.026203 6.855160\nPd Pb F\n2 2 8\ndirect\n0.500000 0.000000 0.000000 Pd\n-0.000000 0.500000 0.000000 Pd\n0.749999 0.750000 0.500000 Pb\n0.249999 0.250000 0.500000 Pb\n0.961613 0.461613 0.260875 F\n0.700737 0.200739 0.739125 F\n0.038386 0.538387 0.739125 F\n0.200738 0.038387 0.739125 F\n0.299261 0.799262 0.260875 F\n0.461613 0.299262 0.260875 F\n0.799261 0.961613 0.260875 F\n0.538386 0.700739 0.739125 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Pb",
"F"
],
"chemical_system": "F-Pb-Pd",
"density": 6.774877075142732,
"density_atomic": 0.06283034583791522,
"volume": 190.99051326180276,
"volume_molar": 9.584764622393525,
"formula_full": "Pd2 Pb2 F8",
"formula_reduced": "PdPbF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-2091",
"created_at": "2022-09-04T14:36:51.747970Z",
"updated_at": "2022-09-04T14:36:51.748003Z",
"structure_string": "Pb1 F4\n1.0\n3.926935 -0.000000 -1.845634\n-0.867436 3.829931 -1.845634\n-0.057769 -0.072317 4.977549\nPb F\n1 4\ndirect\n0.000000 0.000000 0.000000 Pb\n0.744384 0.744386 0.488773 F\n-0.000000 0.500000 0.000000 F\n0.499999 0.000000 0.000000 F\n0.255613 0.255613 0.511228 F\n",
"nsites": 5,
"nelements": 2,
"elements": [
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"F"
],
"chemical_system": "F-Pb",
"density": 6.370837963808135,
"density_atomic": 0.06773825619004724,
"volume": 73.81353287235417,
"volume_molar": 8.89030969900408,
"formula_full": "Pb1 F4",
"formula_reduced": "PbF4",
"formula_anonymous": "AB4",
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"spacegroup": 139
},
{
"id": "jvasp-9125",
"created_at": "2022-09-04T14:37:07.705363Z",
"updated_at": "2022-09-04T14:37:07.705397Z",
"structure_string": "Pb4 F8\n1.0\n3.897906 -0.000000 0.000000\n-0.000000 6.455488 0.000000\n0.000000 0.000000 7.683951\nPb F\n4 8\ndirect\n0.250000 0.754640 0.606807 Pb\n0.750001 0.245360 0.393193 Pb\n0.250000 0.254640 0.893193 Pb\n0.750001 0.745360 0.106807 Pb\n0.250000 0.973238 0.342396 F\n0.750001 0.026762 0.657604 F\n0.250000 0.473238 0.157604 F\n0.750001 0.526762 0.842395 F\n0.750001 0.140750 0.066945 F\n0.250000 0.859250 0.933055 F\n0.750001 0.640751 0.433055 F\n0.250000 0.359250 0.566945 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pb",
"F"
],
"chemical_system": "F-Pb",
"density": 8.423234114206394,
"density_atomic": 0.06206349371243028,
"volume": 193.35037849467054,
"volume_molar": 9.703193294118192,
"formula_full": "Pb4 F8",
"formula_reduced": "PbF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-12326",
"created_at": "2022-09-04T14:38:10.814778Z",
"updated_at": "2022-09-04T14:38:10.814804Z",
"structure_string": "Pb4 F12\n1.0\n5.369683 0.000000 0.000000\n0.000000 5.369683 -0.000000\n0.000000 0.000000 9.010591\nPb F\n4 12\ndirect\n0.500000 0.500000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n0.000000 0.000000 0.750000 Pb\n0.000000 0.000000 0.250000 Pb\n0.203413 0.204251 0.592177 F\n0.796586 0.795748 0.592177 F\n0.204251 0.796586 0.407823 F\n0.795748 0.203413 0.407823 F\n0.282609 0.282609 0.250000 F\n0.282609 0.717390 0.750000 F\n0.717390 0.282609 0.750000 F\n0.717390 0.717390 0.250000 F\n0.796586 0.204251 0.092177 F\n0.204251 0.203413 0.907823 F\n0.795748 0.796586 0.907823 F\n0.203413 0.795748 0.092177 F\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "F-Pb",
"density": 6.7543483427105855,
"density_atomic": 0.061584215001500915,
"volume": 259.8068352354585,
"volume_molar": 9.778708326237869,
"formula_full": "Pb4 F12",
"formula_reduced": "PbF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0412175706249999,
"spacegroup": 132
},
{
"id": "jvasp-1256",
"created_at": "2022-09-04T14:37:00.967263Z",
"updated_at": "2022-09-04T14:37:00.967290Z",
"structure_string": "Pb1 F2\n1.0\n3.641763 0.000000 2.102572\n1.213921 3.433487 2.102572\n0.000000 0.000000 4.205145\nPb F\n1 2\ndirect\n0.000000 0.000000 0.000000 Pb\n0.749999 0.750001 0.749998 F\n0.250000 0.250000 0.249999 F\n",
"nsites": 3,
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"elements": [
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"density": 7.743474003656699,
"density_atomic": 0.057054932063181046,
"volume": 52.58090565558615,
"volume_molar": 10.554987171540663,
"formula_full": "Pb1 F2",
"formula_reduced": "PbF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0010099999999999,
"spacegroup": 225
},
{
"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": [
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],
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"volume": 105.31044506120335,
"volume_molar": 10.569905394280225,
"formula_full": "Pb2 F4",
"formula_reduced": "PbF2",
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"spacegroup": 225
},
{
"id": "jvasp-123571",
"created_at": "2022-09-04T14:38:54.628294Z",
"updated_at": "2022-09-04T14:38:54.628327Z",
"structure_string": "P3 F1\n1.0\n3.028055 0.000000 -0.969621\n0.224088 4.649613 0.699810\n0.090329 0.895247 5.495095\nP F\n3 1\ndirect\n0.580479 0.166281 0.160955 P\n0.130869 0.457057 0.261736 P\n0.920758 0.539757 0.841513 P\n0.367900 0.836905 0.735799 F\n",
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"elements": [
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"volume": 75.68263379122466,
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"formula_full": "P3 F1",
"formula_reduced": "P3F",
"formula_anonymous": "AB3",
"energy_above_hull": 2.10529335,
"spacegroup": 8
},
{
"id": "jvasp-87072",
"created_at": "2022-09-04T14:35:58.749083Z",
"updated_at": "2022-09-04T14:35:58.749110Z",
"structure_string": "P2 F10\n1.0\n5.477083 0.000000 -0.000000\n-2.738542 4.743294 -0.000000\n0.000000 -0.000000 6.037741\nP F\n2 10\ndirect\n0.666667 0.333333 0.750000 P\n0.333333 0.666666 0.250000 P\n0.830669 0.661340 0.750000 F\n0.169330 0.830669 0.250000 F\n0.333333 0.666666 0.517118 F\n0.666667 0.333333 0.017118 F\n0.666667 0.333333 0.482882 F\n0.333333 0.666666 0.982882 F\n0.169330 0.338660 0.250000 F\n0.830669 0.169330 0.750000 F\n0.338660 0.169330 0.750000 F\n0.661340 0.830669 0.250000 F\n",
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"formula_full": "P2 F10",
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}
]
}