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{
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"elements": [
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],
"chemical_system": "H-Na-O-Rb-V",
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"density_atomic": 0.05934275326571237,
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"formula_full": "Rb12 Na4 V16 H8 O52",
"formula_reduced": "Rb3NaV4H2O13",
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"energy": -653.6562431699999,
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"updated_at": "2021-11-28T01:37:23.222000Z",
"spacegroup": 62
},
{
"id": "mp-1035300",
"created_at": "2022-09-04T14:46:01.614825Z",
"structure_string": "Mg14 Co1 Ni1 O16\n1.0\n8.517052 0.000000 0.000000\n0.000000 8.517052 0.000000\n0.000000 0.000000 4.233130\nMg Co Ni O\n14 1 1 16\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.250622 0.500000 Mg\n0.000000 0.749378 0.500000 Mg\n0.500000 0.251058 0.500000 Mg\n0.500000 0.748942 0.500000 Mg\n0.250622 0.000000 0.500000 Mg\n0.251058 0.500000 0.500000 Mg\n0.749378 0.000000 0.500000 Mg\n0.748942 0.500000 0.500000 Mg\n0.250029 0.250029 0.000000 Mg\n0.250029 0.749971 0.000000 Mg\n0.749971 0.250029 0.000000 Mg\n0.749971 0.749971 0.000000 Mg\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Ni\n0.253400 0.000000 0.000000 O\n0.249528 0.500000 0.000000 O\n0.746600 0.000000 0.000000 O\n0.750472 0.500000 0.000000 O\n0.249759 0.249759 0.500000 O\n0.249759 0.750241 0.500000 O\n0.750241 0.249759 0.500000 O\n0.750241 0.750241 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.253400 0.000000 O\n0.000000 0.746600 0.000000 O\n0.500000 0.249528 0.000000 O\n0.500000 0.750472 0.000000 O\n",
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"formula_full": "Mg14 Co1 Ni1 O16",
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},
{
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"structure_string": "Te2 Mo2 W2 Se6\n1.0\n1.691637 -2.930001 0.000000\n1.691637 2.930001 0.000000\n0.000000 0.000000 38.491329\nTe Mo W Se\n2 2 2 6\ndirect\n0.333333 0.666667 0.330895 Te\n0.333333 0.666667 0.232727 Te\n0.333333 0.666667 0.093881 Mo\n0.333333 0.666667 0.469668 Mo\n0.666667 0.333333 0.281779 W\n0.666667 0.333333 0.657531 W\n0.333333 0.666667 0.700671 Se\n0.666667 0.333333 0.050938 Se\n0.666667 0.333333 0.426709 Se\n0.666667 0.333333 0.136904 Se\n0.666667 0.333333 0.512666 Se\n0.333333 0.666667 0.614380 Se\n",
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}
]
}