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{
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{
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{
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"structure_string": "Rb2 Co2 Ni2 F12\n1.0\n6.132339 0.022148 -3.502013\n-2.014935 5.782891 -3.516871\n-0.064440 -0.022148 7.061552\nRb Co Ni F\n2 2 2 12\ndirect\n0.377615 0.627614 0.750000 Rb\n0.622386 0.372386 0.250000 Rb\n0.000000 0.000000 0.000000 Co\n0.500000 -0.000000 0.500000 Co\n-0.000000 -0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.085180 0.934438 0.769303 F\n0.665136 0.315876 0.730697 F\n0.085707 0.335706 0.750000 F\n0.685393 0.935392 0.750000 F\n0.914821 0.684123 0.849259 F\n0.334865 0.684123 0.269303 F\n0.914821 0.065562 0.230698 F\n0.665136 0.934438 0.349259 F\n0.914294 0.664294 0.250001 F\n0.314608 0.064608 0.250000 F\n0.334865 0.065562 0.650741 F\n0.085179 0.315876 0.150741 F\n",
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],
"chemical_system": "Li-O-Ta-W",
"density": 5.535518410129404,
"density_atomic": 0.06414471321969534,
"volume": 280.6154879568966,
"volume_molar": 9.388366488402866,
"formula_full": "Li2 Ta2 W2 O12",
"formula_reduced": "LiTaWO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 3.6359800222222223,
"spacegroup": 74
},
{
"id": "jvasp-29526",
"created_at": "2022-09-04T14:37:12.954380Z",
"updated_at": "2022-09-04T14:37:12.954412Z",
"structure_string": "Zn2 Te2 Mo2 O12\n1.0\n5.073319 0.000000 0.000000\n0.000000 5.302659 0.000000\n0.000000 0.000000 8.924802\nZn Te Mo O\n2 2 2 12\ndirect\n0.500000 0.500000 0.522844 Zn\n0.000000 0.000000 0.477156 Zn\n0.000000 0.500000 0.251452 Te\n0.500000 0.000000 0.748547 Te\n0.000000 0.500000 0.811513 Mo\n0.500000 0.000000 0.188487 Mo\n0.761068 0.177609 0.291361 O\n0.238932 0.822391 0.291361 O\n0.722447 0.175486 0.607147 O\n0.261068 0.322391 0.708639 O\n0.846038 0.286463 0.927702 O\n0.738932 0.677609 0.708639 O\n0.277553 0.824515 0.607147 O\n0.153962 0.713537 0.927702 O\n0.777553 0.675486 0.392853 O\n0.222447 0.324515 0.392853 O\n0.653962 0.786463 0.072298 O\n0.346038 0.213537 0.072298 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Zn",
"Te",
"Mo",
"O"
],
"chemical_system": "Mo-O-Te-Zn",
"density": 5.324683116767936,
"density_atomic": 0.07497009216992336,
"volume": 240.09574323587768,
"volume_molar": 8.03272423135152,
"formula_full": "Zn2 Te2 Mo2 O12",
"formula_reduced": "ZnTeMoO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 2.412536118518519,
"spacegroup": 18
}
]
}