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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=921",
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"results": [
{
"id": "jvasp-50870",
"created_at": "2022-09-04T14:35:54.805844Z",
"updated_at": "2022-09-04T14:35:54.805863Z",
"structure_string": "Cd1 Cu1 H8 Cl4 O4\n1.0\n3.997310 0.003544 -0.055713\n1.892523 6.717739 -0.186450\n1.076549 -0.101462 8.432669\nCd Cu H Cl O\n1 1 8 4 4\ndirect\n0.000000 0.000000 0.500000 Cd\n0.500000 -0.000000 0.000000 Cu\n0.883128 0.659603 0.879922 H\n0.663954 0.639357 0.047912 H\n0.580989 0.407162 0.207733 H\n0.722551 0.559983 0.305317 H\n0.336045 0.360642 0.952089 H\n0.277448 0.440017 0.694684 H\n0.116871 0.340397 0.120078 H\n0.419011 0.592838 0.792268 H\n0.075204 0.934200 0.189231 Cl\n0.369982 0.262324 0.475272 Cl\n0.630017 0.737676 0.524729 Cl\n0.924795 0.065799 0.810770 Cl\n0.743371 0.491649 0.200363 O\n0.350136 0.285080 0.053674 O\n0.256628 0.508351 0.799638 O\n0.649863 0.714920 0.946327 O\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "Cd-Cl-Cu-H-O",
"density": 2.855159732829075,
"density_atomic": 0.079392307748772,
"volume": 226.72221667820727,
"volume_molar": 7.58529501252991,
"formula_full": "Cd1 Cu1 H8 Cl4 O4",
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"formula_anonymous": "ABC4D4E8",
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"spacegroup": 2
},
{
"id": "jvasp-99518",
"created_at": "2022-09-04T14:36:00.828304Z",
"updated_at": "2022-09-04T14:36:00.828335Z",
"structure_string": "Cd1 Cu1 N1\n1.0\n3.938206 0.000006 0.000000\n-1.969097 3.410864 0.000000\n-0.000000 -0.000000 3.694351\nCd Cu N\n1 1 1\ndirect\n-0.000002 0.000019 0.500000 Cd\n0.666670 0.333389 -0.000000 Cu\n0.666677 0.333394 0.500000 N\n",
"nsites": 3,
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"elements": [
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],
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"density": 6.356504331200823,
"density_atomic": 0.0604532821332755,
"volume": 49.62509716819329,
"volume_molar": 9.961644012517912,
"formula_full": "Cd1 Cu1 N1",
"formula_reduced": "CdCuN",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9427078166666664,
"spacegroup": 187
},
{
"id": "jvasp-117996",
"created_at": "2022-09-04T14:38:52.468992Z",
"updated_at": "2022-09-04T14:38:52.469021Z",
"structure_string": "Cd1 Cu1 O2\n1.0\n1.712995 0.988998 5.831861\n-1.712995 0.988998 5.831861\n-0.000000 -1.977996 5.831861\nCd Cu O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cu\n0.899208 0.899208 0.899208 O\n0.100791 0.100791 0.100791 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Cu",
"O"
],
"chemical_system": "Cd-Cu-O",
"density": 5.825191562522109,
"density_atomic": 0.0674761147428356,
"volume": 59.28023590636133,
"volume_molar": 8.924848122852852,
"formula_full": "Cd1 Cu1 O2",
"formula_reduced": "CdCuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4283192999999999,
"spacegroup": 166
},
{
"id": "jvasp-81908",
"created_at": "2022-09-04T14:37:15.283624Z",
"updated_at": "2022-09-04T14:37:15.283655Z",
"structure_string": "Cd1 Cu1 Pd2\n1.0\n-8.648752 -0.000000 -4.993359\n-9.112500 -0.002439 5.796594\n-5.919267 9.029384 0.265754\nCd Cu Pd\n1 1 2\ndirect\n0.500000 -0.000000 -0.000000 Cd\n0.000000 0.000000 0.000000 Cu\n0.763842 -0.000000 -0.000000 Pd\n0.236158 -0.000000 -0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"Cu",
"Pd"
],
"chemical_system": "Cd-Cu-Pd",
"density": 0.7475782140385036,
"density_atomic": 0.00463174482890051,
"volume": 863.6054333220956,
"volume_molar": 130.01883701416136,
"formula_full": "Cd1 Cu1 Pd2",
"formula_reduced": "CdCuPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7406204000000001,
"spacegroup": 71
},
{
"id": "jvasp-77299",
"created_at": "2022-09-04T14:37:56.424369Z",
"updated_at": "2022-09-04T14:37:56.424395Z",
"structure_string": "Cd1 Cu1 Pd2\n1.0\n-8.663674 -0.000000 -5.001974\n-9.119108 -0.002335 5.790811\n-5.926493 9.027743 0.261039\nCd Cu Pd\n1 1 2\ndirect\n0.500000 0.000000 0.000000 Cd\n0.000000 0.000000 0.000000 Cu\n0.763881 0.000000 0.000000 Pd\n0.236119 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Cu",
"Pd"
],
"chemical_system": "Cd-Cu-Pd",
"density": 0.746561994187918,
"density_atomic": 0.0046254486702517065,
"volume": 864.7809726493688,
"volume_molar": 130.19581859660522,
"formula_full": "Cd1 Cu1 Pd2",
"formula_reduced": "CdCuPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7405379000000001,
"spacegroup": 71
},
{
"id": "jvasp-16307",
"created_at": "2022-09-04T14:38:29.217523Z",
"updated_at": "2022-09-04T14:38:29.217546Z",
"structure_string": "Cd1 Cu1 Sb1\n1.0\n4.013323 0.000000 2.317093\n1.337774 3.783797 2.317093\n-0.000000 0.000000 4.634185\nCd Cu Sb\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Cd\n0.499999 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"Cu",
"Sb"
],
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"density": 7.025017684797753,
"density_atomic": 0.04263006011140913,
"volume": 70.37287754602782,
"volume_molar": 14.126512475614097,
"formula_full": "Cd1 Cu1 Sb1",
"formula_reduced": "CdCuSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0316366666666666,
"spacegroup": 216
},
{
"id": "jvasp-78665",
"created_at": "2022-09-04T14:36:43.311286Z",
"updated_at": "2022-09-04T14:36:43.311303Z",
"structure_string": "Cd1 Cu1 Sb1\n1.0\n4.029601 0.000000 2.326492\n1.343201 3.799145 2.326492\n0.000000 0.000000 4.652982\nCd Cu Sb\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.499999 0.500000 Cu\n0.250000 0.250000 0.250000 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"Cu",
"Sb"
],
"chemical_system": "Cd-Cu-Sb",
"density": 6.940223301535118,
"density_atomic": 0.042115500601698795,
"volume": 71.23268053660486,
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"formula_full": "Cd1 Cu1 Sb1",
"formula_reduced": "CdCuSb",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-93257",
"created_at": "2022-09-04T14:36:32.047515Z",
"updated_at": "2022-09-04T14:36:32.047533Z",
"structure_string": "Cd1 Cu2 Se2\n1.0\n-2.007553 -3.477183 -0.000000\n-2.007314 3.477045 0.000208\n0.000375 -0.000217 -6.963889\nCd Cu Se\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.333347 0.666697 0.405707 Cu\n0.666649 0.333301 0.594293 Cu\n0.333367 0.666736 0.756713 Se\n0.666630 0.333262 0.243287 Se\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Cu",
"Se"
],
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"density": 6.788286511429493,
"density_atomic": 0.05143136771797935,
"volume": 97.21693631437499,
"volume_molar": 11.709081494822438,
"formula_full": "Cd1 Cu2 Se2",
"formula_reduced": "Cd(CuSe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-114746",
"created_at": "2022-09-04T14:38:43.398437Z",
"updated_at": "2022-09-04T14:38:43.398473Z",
"structure_string": "Cd2 F2\n1.0\n3.285941 0.000000 0.000000\n0.000000 3.285941 -0.000000\n0.000000 0.000000 5.516873\nCd F\n2 2\ndirect\n0.000000 0.000000 0.199485 Cd\n0.500000 0.500000 0.800510 Cd\n0.000000 0.000000 0.627574 F\n0.500000 0.500000 0.372429 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"F"
],
"chemical_system": "Cd-F",
"density": 7.3264405010806115,
"density_atomic": 0.06715022655626764,
"volume": 59.56793007464023,
"volume_molar": 8.968161492283018,
"formula_full": "Cd2 F2",
"formula_reduced": "CdF",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-1245",
"created_at": "2022-09-04T14:35:47.121068Z",
"updated_at": "2022-09-04T14:35:47.121107Z",
"structure_string": "Cd1 F2\n1.0\n3.333099 0.000000 1.924366\n1.111033 3.142476 1.924366\n0.000000 0.000000 3.848731\nCd F\n1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.749999 0.750001 0.750001 F\n0.250000 0.250000 0.250000 F\n",
"nsites": 3,
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"elements": [
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],
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"density": 6.195576646643331,
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"volume": 40.31231517152234,
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"formula_full": "Cd1 F2",
"formula_reduced": "CdF2",
"formula_anonymous": "AB2",
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"spacegroup": 225
},
{
"id": "jvasp-114747",
"created_at": "2022-09-04T14:38:41.893261Z",
"updated_at": "2022-09-04T14:38:41.893288Z",
"structure_string": "Cd1 F2\n1.0\n3.487733 0.000000 0.000000\n0.000000 3.357818 0.000000\n0.000000 0.000000 4.635259\nCd F\n1 2\ndirect\n0.466667 0.000000 0.000000 Cd\n-0.033334 0.000000 0.739308 F\n-0.033334 0.000000 0.260693 F\n",
"nsites": 3,
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"elements": [
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"density": 4.600924277234323,
"density_atomic": 0.05526457893979652,
"volume": 54.28431841067865,
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"formula_full": "Cd1 F2",
"formula_reduced": "CdF2",
"formula_anonymous": "AB2",
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"spacegroup": 47
},
{
"id": "jvasp-114742",
"created_at": "2022-09-04T14:38:42.925373Z",
"updated_at": "2022-09-04T14:38:42.925397Z",
"structure_string": "Cd1 F2\n1.0\n3.663162 -0.190933 -0.508219\n1.294420 -3.506592 -0.359254\n0.899141 -0.843430 -3.298421\nCd F\n1 2\ndirect\n0.079340 0.077161 0.082943 Cd\n0.816378 0.812789 0.827951 F\n0.342318 0.341520 0.337921 F\n",
"nsites": 3,
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"elements": [
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"density": 6.329731349307234,
"density_atomic": 0.07603036188888766,
"volume": 39.45792082884285,
"volume_molar": 7.920705110940916,
"formula_full": "Cd1 F2",
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"spacegroup": 12
}
]
}