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{
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"structure_string": "Th4 I16\n1.0\n7.676716 0.000000 -1.181025\n0.000000 8.109131 0.000000\n0.008588 0.000000 13.348565\nTh I\n4 16\ndirect\n0.823794 0.983444 0.816999 Th\n0.176207 0.016556 0.183001 Th\n0.323793 0.516556 0.316999 Th\n0.676207 0.483444 0.683001 Th\n0.170597 0.193166 0.401743 I\n0.329403 0.693166 0.098257 I\n0.829404 0.806834 0.598257 I\n0.670598 0.306834 0.901743 I\n-0.000870 0.754168 0.318766 I\n0.500871 0.254168 0.181234 I\n0.499750 0.866578 0.350280 I\n0.691758 0.408222 0.441896 I\n0.808243 0.908222 0.058105 I\n0.308243 0.591778 0.558104 I\n0.191758 0.091778 0.941895 I\n-0.000251 0.633422 0.850279 I\n0.500251 0.133422 0.649720 I\n0.000251 0.366578 0.149720 I\n0.499130 0.745832 0.818766 I\n0.000871 0.245832 0.681234 I\n",
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{
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"structure_string": "Na2 H6 Se4 O12\n1.0\n0.000000 4.511503 0.034681\n5.980315 0.000000 0.000000\n0.000000 -3.868929 -10.373610\nNa H Se O\n2 6 4 12\ndirect\n-0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n-0.000000 0.000000 0.500000 H\n0.000000 0.500000 0.000000 H\n0.790065 0.554348 0.686561 H\n0.790065 0.945653 0.186561 H\n0.209934 0.445653 0.313439 H\n0.209934 0.054347 0.813439 H\n0.311085 0.887571 0.343074 Se\n0.311085 0.612430 0.843074 Se\n0.688914 0.112430 0.656927 Se\n0.688914 0.387571 0.156926 Se\n0.964123 0.826714 0.199080 O\n0.849941 0.361425 0.035135 O\n0.849941 0.138576 0.535135 O\n0.150058 0.638576 0.964865 O\n0.150058 0.861425 0.464865 O\n0.525290 0.131120 0.145891 O\n0.525289 0.368880 0.645892 O\n0.474710 0.868881 0.854109 O\n0.474710 0.631120 0.354109 O\n0.035877 0.173286 0.800920 O\n0.035877 0.326714 0.300920 O\n0.964122 0.673287 0.699080 O\n",
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{
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"structure_string": "Sr4 Sm2 Nb2 O12\n1.0\n0.000000 5.877900 0.001086\n6.018927 0.000000 0.000000\n0.000000 -5.840227 -8.380156\nSr Sm Nb O\n4 2 2 12\ndirect\n0.739693 0.955072 0.250976 Sr\n0.260307 0.455072 0.249024 Sr\n0.260306 0.044929 0.749024 Sr\n0.739693 0.544929 0.750976 Sr\n-0.000000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 -0.000000 Nb\n0.500000 0.000000 0.500000 Nb\n0.269440 0.810118 0.546866 O\n0.730559 0.310118 0.953135 O\n0.825689 0.533089 0.231974 O\n0.174310 0.033089 0.268026 O\n0.174310 0.466911 0.768026 O\n0.632890 0.723014 0.446882 O\n0.367110 0.276987 0.553118 O\n0.632890 0.776987 0.946882 O\n0.269440 0.689882 0.046865 O\n0.367110 0.223013 0.053118 O\n0.825689 0.966911 0.731974 O\n0.730559 0.189882 0.453135 O\n",
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{
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"updated_at": "2022-09-04T14:36:48.007624Z",
"structure_string": "Pd2 Se12 Cl4\n1.0\n0.000000 4.345164 -0.058364\n8.582039 0.000000 0.000000\n0.000000 -2.349220 -12.729882\nPd Se Cl\n2 12 4\ndirect\n-0.000000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.817437 0.620426 0.849209 Se\n0.979343 0.864781 0.644014 Se\n0.187617 0.768199 0.492727 Se\n0.812382 0.268199 0.007272 Se\n0.812382 0.231801 0.507272 Se\n0.187617 0.731801 0.992727 Se\n0.979343 0.635219 0.144014 Se\n0.182562 0.379574 0.150790 Se\n0.020656 0.364781 0.855985 Se\n0.817437 0.879574 0.349209 Se\n0.182562 0.120426 0.650790 Se\n0.020656 0.135219 0.355985 Se\n0.375172 0.466566 0.649684 Cl\n0.624827 0.533434 0.350315 Cl\n0.375172 0.033434 0.149684 Cl\n0.624827 0.966566 0.850315 Cl\n",
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{
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"created_at": "2022-09-04T14:36:48.212932Z",
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"structure_string": "Na20 Sn4 As12\n1.0\n0.000000 8.587215 -0.004956\n7.629628 0.000000 0.000000\n0.000000 -8.463847 -13.656540\nNa Sn As\n20 4 12\ndirect\n0.992739 0.159992 0.417440 Na\n0.747668 0.975193 0.913863 Na\n0.007261 0.659992 0.082560 Na\n0.007260 0.840008 0.582560 Na\n0.685530 0.640832 0.756312 Na\n0.314469 0.140832 0.743689 Na\n0.314469 0.359168 0.243689 Na\n0.685530 0.859169 0.256312 Na\n0.252331 0.475193 0.586138 Na\n0.252331 0.024807 0.086138 Na\n0.992739 0.340008 0.917440 Na\n0.590089 0.460856 0.911278 Na\n0.409910 0.960857 0.588723 Na\n0.409910 0.539144 0.088723 Na\n0.590090 0.039144 0.411278 Na\n0.907415 0.003883 0.741478 Na\n0.092584 0.503883 0.758522 Na\n0.747668 0.524808 0.413863 Na\n0.092584 0.996118 0.258522 Na\n0.907415 0.496117 0.241478 Na\n0.662139 0.147890 0.090857 Sn\n0.337861 0.647890 0.409143 Sn\n0.337861 0.852111 0.909143 Sn\n0.662139 0.352111 0.590857 Sn\n0.637266 0.248647 0.240541 As\n0.362734 0.751354 0.759460 As\n0.669947 0.709837 0.571609 As\n0.330052 0.209837 0.928392 As\n0.330052 0.290163 0.428392 As\n0.669947 0.790163 0.071609 As\n0.056796 0.769373 0.416617 As\n0.943203 0.269373 0.083383 As\n0.943203 0.230627 0.583383 As\n0.056796 0.730627 0.916617 As\n0.362734 0.748647 0.259460 As\n0.637266 0.251353 0.740541 As\n",
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"elements": [
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],
"chemical_system": "C-O-Zn",
"density": 3.4758647181602482,
"density_atomic": 0.09550083832089784,
"volume": 146.5955717892004,
"volume_molar": 6.30585120076607,
"formula_full": "Zn2 C4 O8",
"formula_reduced": "Zn(CO2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 14
},
{
"id": "jvasp-11174",
"created_at": "2022-09-04T14:36:48.737463Z",
"updated_at": "2022-09-04T14:36:48.737492Z",
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"formula_full": "Co4 P8",
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{
"id": "jvasp-9391",
"created_at": "2022-09-04T14:36:49.312337Z",
"updated_at": "2022-09-04T14:36:49.312359Z",
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"formula_full": "Na4 Cu2 F8",
"formula_reduced": "Na2CuF4",
"formula_anonymous": "AB2C4",
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}
]
}