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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=908",
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"results": [
{
"id": "jvasp-39850",
"created_at": "2022-09-04T14:37:53.132833Z",
"updated_at": "2022-09-04T14:37:53.132861Z",
"structure_string": "Cd2 Pd1 Rh1\n1.0\n-0.000000 3.241470 3.241470\n3.241470 -0.000000 3.241470\n3.241470 3.241470 0.000000\nCd Pd Rh\n2 1 1\ndirect\n0.500001 0.500001 0.500001 Cd\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Rh\n",
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{
"id": "jvasp-39853",
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"structure_string": "Cd2 Pt1 Rh1\n1.0\n0.000000 3.248644 3.248644\n3.248644 -0.000000 3.248644\n3.248644 3.248644 0.000000\nCd Pt Rh\n2 1 1\ndirect\n0.499999 0.499999 0.499999 Cd\n0.000000 0.000000 0.000000 Cd\n0.249999 0.249999 0.249999 Pt\n0.749999 0.749999 0.749999 Rh\n",
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{
"id": "jvasp-59496",
"created_at": "2022-09-04T14:37:08.157257Z",
"updated_at": "2022-09-04T14:37:08.157285Z",
"structure_string": "Cd4 Re4 O14\n1.0\n6.342636 -0.000000 3.661923\n2.114212 5.979894 3.661923\n0.000000 -0.000000 7.323846\nCd Re O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Cd\n-0.000000 0.500000 0.500000 Cd\n0.500000 0.500000 -0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n-0.000000 0.500000 0.000000 Re\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.500000 0.000000 -0.000000 Re\n0.065124 0.684876 0.065124 O\n0.684877 0.065124 0.684876 O\n0.684877 0.065124 0.065123 O\n0.625000 0.625000 0.625000 O\n0.934877 0.315124 0.315123 O\n0.315124 0.934876 0.315124 O\n0.315124 0.315124 0.934877 O\n0.934877 0.934876 0.315123 O\n0.934877 0.315124 0.934876 O\n0.065124 0.684876 0.684877 O\n0.315124 0.934876 0.934877 O\n0.375000 0.375000 0.375000 O\n0.684877 0.684876 0.065123 O\n0.065124 0.065124 0.684877 O\n",
"nsites": 22,
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"elements": [
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"density": 8.479393998295462,
"density_atomic": 0.07919909211398764,
"volume": 277.7809620385093,
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"formula_full": "Cd4 Re4 O14",
"formula_reduced": "Cd2Re2O7",
"formula_anonymous": "A2B2C7",
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},
{
"id": "jvasp-103590",
"created_at": "2022-09-04T14:36:36.191584Z",
"updated_at": "2022-09-04T14:36:36.191610Z",
"structure_string": "Cd2 Rh1 Au1\n1.0\n4.036903 -0.000000 2.330707\n1.345634 3.806028 2.330707\n-0.000000 -0.000000 4.661414\nCd Rh Au\n2 1 1\ndirect\n0.749999 0.750000 0.750001 Cd\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Rh\n0.499999 0.500000 0.500001 Au\n",
"nsites": 4,
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"elements": [
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],
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"density": 12.165144816441035,
"density_atomic": 0.05584985141176387,
"volume": 71.62060236309715,
"volume_molar": 10.782733718663993,
"formula_full": "Cd2 Rh1 Au1",
"formula_reduced": "Cd2RhAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-26872",
"created_at": "2022-09-04T14:38:30.233236Z",
"updated_at": "2022-09-04T14:38:30.233264Z",
"structure_string": "Cd4 Ru4 O14\n1.0\n6.240347 0.000000 3.602866\n2.080116 5.883456 3.602866\n0.000000 0.000000 7.205733\nCd Ru O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.500000 -0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Ru\n-0.000000 -0.000000 0.500000 Ru\n0.500000 -0.000000 0.000000 Ru\n0.000000 0.500000 -0.000000 Ru\n0.318814 0.931187 0.931186 O\n0.068814 0.681187 0.681186 O\n0.931187 0.318814 0.931186 O\n0.931187 0.931187 0.318814 O\n0.318814 0.318814 0.931186 O\n0.318814 0.931187 0.318813 O\n0.068814 0.068814 0.681186 O\n0.681187 0.068814 0.681186 O\n0.681187 0.068814 0.068814 O\n0.375000 0.375000 0.375000 O\n0.681187 0.681187 0.068814 O\n0.931187 0.318814 0.318814 O\n0.068814 0.681187 0.068813 O\n0.625001 0.625000 0.625000 O\n",
"nsites": 22,
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"elements": [
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"density": 6.765726524705752,
"density_atomic": 0.08315785250436372,
"volume": 264.557096382997,
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"formula_full": "Cd4 Ru4 O14",
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},
{
"id": "jvasp-86704",
"created_at": "2022-09-04T14:35:42.101491Z",
"updated_at": "2022-09-04T14:35:42.101512Z",
"structure_string": "Cd2 Ru1 C6 N6\n1.0\n6.370397 -0.000000 -0.000000\n-3.185198 5.516925 0.000000\n-0.000000 0.000000 6.672942\nCd Ru C N\n2 1 6 6\ndirect\n0.666667 0.333333 0.499983 Cd\n0.333333 0.666668 0.500017 Cd\n0.000000 0.000000 0.000000 Ru\n0.250095 0.000002 0.183218 C\n0.000002 0.749908 0.816782 C\n0.749908 0.749905 0.183218 C\n0.749905 -0.000002 0.816782 C\n-0.000002 0.250093 0.183218 C\n0.250093 0.250095 0.816782 C\n0.385775 0.385776 0.696140 N\n0.999999 0.385775 0.303860 N\n0.614226 0.614224 0.303860 N\n0.385776 0.000001 0.303860 N\n0.000001 0.614226 0.696140 N\n0.614224 1.000000 0.696140 N\n",
"nsites": 15,
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"elements": [
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],
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"density": 3.412808845815018,
"density_atomic": 0.06396027624969913,
"volume": 234.5205630669952,
"volume_molar": 9.415438946026017,
"formula_full": "Cd2 Ru1 C6 N6",
"formula_reduced": "Cd2Ru(CN)6",
"formula_anonymous": "AB2C6D6",
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"spacegroup": 162
},
{
"id": "jvasp-86104",
"created_at": "2022-09-04T14:35:53.060344Z",
"updated_at": "2022-09-04T14:35:53.060356Z",
"structure_string": "Cd2 Ru1 C6 N6\n1.0\n6.369767 0.000000 0.000000\n-3.184884 5.516381 -0.000000\n-0.000000 -0.000000 6.674365\nCd Ru C N\n2 1 6 6\ndirect\n0.666667 0.333333 0.500121 Cd\n0.333333 0.666667 0.499880 Cd\n0.000000 0.000000 0.000000 Ru\n0.250127 0.000066 0.183222 C\n0.000066 0.749939 0.816778 C\n0.749940 0.749873 0.183222 C\n0.749874 0.999934 0.816778 C\n0.999935 0.250061 0.183222 C\n0.250061 0.250127 0.816778 C\n0.385715 0.385789 0.696121 N\n0.999927 0.385714 0.303880 N\n0.614286 0.614211 0.303880 N\n0.385789 0.000073 0.303880 N\n0.000073 0.614285 0.696121 N\n0.614212 0.999927 0.696121 N\n",
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"formula_full": "Cd2 Ru1 C6 N6",
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"formula_anonymous": "AB2C6D6",
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},
{
"id": "jvasp-49246",
"created_at": "2022-09-04T14:38:31.929084Z",
"updated_at": "2022-09-04T14:38:31.929100Z",
"structure_string": "Cd4 Sb4 O14\n1.0\n6.348822 -0.000000 3.657132\n2.171740 6.052972 3.569215\n-0.008922 0.005687 7.354869\nCd Sb O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n0.500000 0.000000 -0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.000000 0.500000 0.500000 Sb\n0.597412 0.664950 0.140226 O\n0.402588 0.335051 0.859775 O\n0.902588 0.359775 0.835050 O\n0.325396 0.320181 0.444463 O\n0.250000 0.901590 0.598410 O\n0.590041 0.055537 0.179819 O\n0.825396 0.944463 0.820182 O\n0.909958 0.320181 0.444463 O\n0.674604 0.679819 0.555537 O\n0.409958 0.944463 0.820182 O\n0.174604 0.055537 0.179819 O\n0.090042 0.679819 0.555537 O\n0.750000 0.098410 0.401590 O\n0.097412 0.640225 0.164950 O\n",
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"density_atomic": 0.07780564317044573,
"volume": 282.7558401105364,
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"formula_full": "Cd4 Sb4 O14",
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{
"id": "jvasp-113112",
"created_at": "2022-09-04T14:38:44.621490Z",
"updated_at": "2022-09-04T14:38:44.621516Z",
"structure_string": "Cd2 Sb6 S11\n1.0\n3.852975 0.000000 0.000000\n0.000000 9.701295 0.634203\n0.000000 0.144060 12.840625\nCd Sb S\n2 6 11\ndirect\n0.500001 0.756939 0.268156 Cd\n-0.000000 0.280779 0.774085 Cd\n0.500001 0.225240 0.219984 Sb\n-0.000000 0.732351 0.722453 Sb\n-0.000000 0.566615 0.034874 Sb\n0.500001 0.471657 0.491516 Sb\n-0.000000 0.088265 0.493304 Sb\n0.500001 0.027976 0.953423 Sb\n-0.000000 0.316284 0.382392 S\n-0.000000 0.000336 0.819132 S\n0.500001 0.016478 0.345835 S\n0.500001 0.211163 0.601588 S\n0.500001 0.814687 0.604752 S\n0.500001 0.283363 0.909361 S\n-0.000000 0.663202 0.393502 S\n0.500001 0.642035 0.911116 S\n-0.000000 0.119010 0.119437 S\n-0.000000 0.783019 0.118004 S\n-0.000000 0.493600 0.644881 S\n",
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"density": 4.52893013870578,
"density_atomic": 0.03961504698362874,
"volume": 479.61573812728057,
"volume_molar": 15.20164992480938,
"formula_full": "Cd2 Sb6 S11",
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"spacegroup": 6
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{
"id": "jvasp-9607",
"created_at": "2022-09-04T14:38:13.959670Z",
"updated_at": "2022-09-04T14:38:13.959694Z",
"structure_string": "Cd4 Si2 O8\n1.0\n5.652743 -0.026828 -1.363987\n-3.022367 4.776978 -1.363987\n-0.013205 -0.023847 6.713524\nCd Si O\n4 2 8\ndirect\n0.807896 0.192101 0.749999 Cd\n0.442101 0.557897 0.749999 Cd\n0.192101 0.807898 0.249999 Cd\n0.557897 0.442102 0.249999 Cd\n0.124999 0.875000 0.749999 Si\n0.874999 0.125000 0.249999 Si\n0.249869 0.208475 0.898109 O\n0.310364 0.851761 0.601889 O\n0.791522 0.750129 0.601888 O\n0.148238 0.689634 0.898109 O\n0.750129 0.791524 0.101889 O\n0.689633 0.148239 0.398109 O\n0.851760 0.310365 0.101889 O\n0.208475 0.249870 0.398110 O\n",
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"volume": 180.3724243483837,
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"formula_full": "Cd4 Si2 O8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 70
},
{
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"created_at": "2022-09-04T14:37:39.915006Z",
"updated_at": "2022-09-04T14:37:39.915024Z",
"structure_string": "Cd4 Si2 O8\n1.0\n5.378823 0.000000 3.105463\n1.792941 5.071202 3.105463\n0.000000 0.000000 6.210929\nCd Si O\n4 2 8\ndirect\n0.500000 -0.000000 0.500000 Cd\n0.000000 0.500000 0.500000 Cd\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 -0.000000 Cd\n0.875000 0.875000 0.875000 Si\n0.125000 0.125000 0.125000 Si\n0.764764 0.205708 0.764764 O\n0.235236 0.235236 0.794292 O\n0.235236 0.794292 0.235235 O\n0.764764 0.764764 0.764764 O\n0.794292 0.235236 0.235235 O\n0.764764 0.764764 0.205708 O\n0.235236 0.235236 0.235236 O\n0.205708 0.764764 0.764764 O\n",
"nsites": 14,
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"density_atomic": 0.08263676505678909,
"volume": 169.41611872607808,
"volume_molar": 7.287483671295101,
"formula_full": "Cd4 Si2 O8",
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"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1977817285714278,
"spacegroup": 227
},
{
"id": "jvasp-101738",
"created_at": "2022-09-04T14:36:45.492259Z",
"updated_at": "2022-09-04T14:36:45.492290Z",
"structure_string": "Cd2 Sn1 Ge1 As4\n1.0\n5.575986 0.017812 -4.774104\n-1.169939 5.451896 -4.774104\n-0.014348 -0.017812 7.340537\nCd Sn Ge As\n2 1 1 4\ndirect\n0.250000 0.750001 0.500001 Cd\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000001 Sn\n0.750000 0.250000 0.500001 Ge\n0.105979 0.133883 0.500712 As\n0.633171 0.605268 0.499290 As\n0.394732 0.894022 0.027904 As\n0.866117 0.366829 0.972098 As\n",
"nsites": 8,
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"elements": [
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],
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"density": 5.345952044074932,
"density_atomic": 0.03597814955220703,
"volume": 222.35718344522948,
"volume_molar": 16.73832822130392,
"formula_full": "Cd2 Sn1 Ge1 As4",
"formula_reduced": "Cd2SnGeAs4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.96275051875,
"spacegroup": 82
}
]
}