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{
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{
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"created_at": "2022-09-04T14:38:02.466250Z",
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"structure_string": "Ca2 Pd1 W1 O6\n1.0\n4.933823 0.000000 2.848544\n1.644607 4.651652 2.848544\n-0.000000 -0.000000 5.697088\nCa Pd W O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.749999 Ca\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 W\n0.238134 0.761866 0.761866 O\n0.238134 0.761866 0.238133 O\n0.761866 0.238133 0.761867 O\n0.238133 0.238133 0.761867 O\n0.761866 0.238133 0.238133 O\n0.761867 0.761866 0.238132 O\n",
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{
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"structure_string": "Ca2 Pr2 Fe4 O12\n1.0\n0.000000 5.385300 0.000149\n5.387112 0.000000 0.000000\n0.000000 -5.385176 -7.595858\nCa Pr Fe O\n2 2 4 12\ndirect\n0.243639 0.784050 0.749993 Ca\n0.243639 0.215949 0.249993 Ca\n0.755324 0.278468 0.749992 Pr\n0.755325 0.721532 0.249992 Pr\n-0.000078 0.751010 0.999785 Fe\n0.500338 0.751011 0.500201 Fe\n-0.000078 0.248989 0.499785 Fe\n0.500338 0.248988 0.000201 Fe\n0.816547 0.468772 0.035163 O\n0.192362 0.972526 0.469547 O\n0.753254 0.972523 0.030437 O\n0.308160 0.240622 0.749987 O\n0.684075 0.256491 0.250000 O\n0.192361 0.027473 0.969547 O\n0.816547 0.531227 0.535163 O\n0.753254 0.027476 0.530437 O\n0.246208 0.468768 0.464826 O\n0.308161 0.759378 0.249987 O\n0.246207 0.531232 0.964826 O\n0.684074 0.743509 0.750000 O\n",
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"structure_string": "Ca2 Pr2 Mn4 O12\n1.0\n5.409391 0.000000 0.000000\n0.000000 5.434340 0.000000\n0.000000 0.000000 7.636362\nCa Pr Mn O\n2 2 4 12\ndirect\n0.492181 0.710884 0.000000 Ca\n0.992181 0.289116 0.500000 Ca\n0.006832 0.217082 0.000000 Pr\n0.506832 0.782918 0.500000 Pr\n0.000376 0.749085 0.750388 Mn\n0.000376 0.749085 0.249611 Mn\n0.500376 0.250915 0.250388 Mn\n0.500376 0.250915 0.749611 Mn\n0.784795 0.034680 0.710904 O\n0.719039 0.531381 0.284856 O\n0.719039 0.531381 0.715144 O\n0.565977 0.263752 0.000000 O\n0.426566 0.239378 0.500000 O\n0.219039 0.468619 0.784856 O\n0.284795 0.965320 0.210904 O\n0.219039 0.468619 0.215144 O\n0.784795 0.034680 0.289096 O\n0.065978 0.736248 0.500000 O\n0.284795 0.965320 0.789096 O\n0.926566 0.760622 0.000000 O\n",
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"created_at": "2022-09-04T14:37:36.119649Z",
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"structure_string": "Ca4 Sb2 Mo2 O12\n1.0\n0.000000 5.559729 -0.035266\n8.036466 0.000000 0.000000\n0.000000 0.026688 -5.819631\nCa Sb Mo O\n4 2 2 12\ndirect\n0.482009 0.250000 0.565390 Ca\n0.517991 0.750000 0.434611 Ca\n0.011405 0.250000 0.057845 Ca\n0.988596 0.750000 0.942155 Ca\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.500000 0.500000 0.000000 Mo\n0.500000 0.000000 0.000000 Mo\n0.329967 0.438922 0.288769 O\n0.599893 0.250000 0.962587 O\n0.670033 0.938922 0.711232 O\n0.116466 0.750000 0.545839 O\n0.206474 0.059747 0.820194 O\n0.793527 0.940254 0.179807 O\n0.206474 0.440254 0.820194 O\n0.329967 0.061078 0.288769 O\n0.883535 0.250000 0.454161 O\n0.670033 0.561079 0.711232 O\n0.793527 0.559747 0.179807 O\n0.400108 0.750000 0.037414 O\n",
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"structure_string": "Ca6 Sc2 Co2 O12\n1.0\n6.354998 0.006613 -0.267154\n-0.278897 6.348879 -0.267154\n0.006321 0.006613 6.360609\nCa Sc Co O\n6 2 2 12\ndirect\n0.750000 0.380405 0.119596 Ca\n0.119595 0.750000 0.380406 Ca\n0.380405 0.119595 0.750000 Ca\n0.619595 0.880405 0.250001 Ca\n0.880405 0.249999 0.619596 Ca\n0.250000 0.619595 0.880406 Ca\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750001 Sc\n0.500000 0.500000 0.500001 Co\n0.000000 0.000000 0.000000 Co\n0.456837 0.791248 0.588067 O\n0.411934 0.543162 0.208753 O\n0.208752 0.411934 0.543163 O\n0.588066 0.456837 0.791249 O\n0.708752 0.043162 0.911934 O\n0.956838 0.088066 0.291249 O\n0.291248 0.956838 0.088067 O\n0.911934 0.708752 0.043163 O\n0.043162 0.911934 0.708753 O\n0.088066 0.291248 0.956838 O\n0.543162 0.208752 0.411934 O\n0.791248 0.588066 0.456839 O\n",
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{
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"structure_string": "Ca5 Sc2 Co2 O12\n1.0\n6.334864 -0.055341 -0.325572\n-0.333856 6.375307 -0.195580\n-0.050608 0.076874 6.386375\nCa Sc Co O\n5 2 2 12\ndirect\n0.112045 0.743000 0.378809 Ca\n0.387954 0.121190 0.757001 Ca\n0.624388 0.888721 0.246766 Ca\n0.875610 0.253234 0.611280 Ca\n0.249999 0.616519 0.883481 Ca\n0.250000 0.253629 0.246371 Sc\n0.749999 0.740464 0.759536 Sc\n0.496182 0.502599 0.497860 Co\n0.003817 0.002140 0.997401 Co\n0.453846 0.786041 0.588745 O\n0.394945 0.558148 0.219346 O\n0.205675 0.413448 0.539062 O\n0.574694 0.454132 0.780410 O\n0.717319 0.030591 0.901770 O\n0.046152 0.911255 0.713960 O\n0.294324 0.960938 0.086552 O\n0.925304 0.719591 0.045868 O\n0.105054 0.280654 0.941853 O\n0.968555 0.072774 0.288934 O\n0.531444 0.211067 0.427227 O\n0.782679 0.598231 0.469409 O\n",
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"elements": [
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],
"chemical_system": "Ag-Ca-O-Si",
"density": 4.257046665432843,
"density_atomic": 0.08374945873183971,
"volume": 955.2300541565859,
"volume_molar": 7.1906623053917285,
"formula_full": "Ca12 Si12 Ag8 O48",
"formula_reduced": "Ca3Si3(AgO6)2",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.187651679,
"spacegroup": 230
},
{
"id": "jvasp-52189",
"created_at": "2022-09-04T14:37:05.253220Z",
"updated_at": "2022-09-04T14:37:05.253240Z",
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"elements": [
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],
"chemical_system": "B-Ca-O-Si",
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"volume": 246.7259295968688,
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"formula_full": "Ca4 Si2 B4 O14",
"formula_reduced": "Ca2SiB2O7",
"formula_anonymous": "AB2C2D7",
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"spacegroup": 113
}
]
}