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{
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{
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{
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{
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"structure_string": "Na1 La1 Nb1 In1 O6\n1.0\n-0.000000 -4.106017 -4.106017\n4.106017 0.000000 -4.106017\n4.106017 -4.106017 -0.000000\nNa La Nb In O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 La\n0.500000 0.500000 0.500000 Nb\n0.000000 -0.000000 0.000000 In\n0.742213 0.257787 0.257787 O\n0.257787 0.742213 0.742213 O\n0.742213 0.257787 0.742213 O\n0.257787 0.742213 0.257787 O\n0.742213 0.742213 0.257787 O\n0.257787 0.257787 0.742213 O\n",
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{
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"structure_string": "Ba1 Ca1 Nd1 Bi1 O6\n1.0\n0.000000 -4.401607 -4.401607\n4.401607 0.000000 -4.401607\n4.401607 -4.401607 0.000000\nBa Ca Nd Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Nd\n0.000000 -0.000000 -0.000000 Bi\n0.760255 0.239745 0.239745 O\n0.239745 0.760255 0.760255 O\n0.760255 0.239745 0.760255 O\n0.239745 0.760255 0.239745 O\n0.760255 0.760255 0.239745 O\n0.239745 0.239745 0.760255 O\n",
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{
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"structure_string": "Ca4 Sc4 Al4 Si4 O24\n1.0\n9.083900 0.000000 0.000000\n0.000000 5.512116 0.000000\n0.000000 2.744159 9.639407\nCa Sc Al Si O\n4 4 4 4 24\ndirect\n0.810554 0.751406 0.996946 Ca\n0.310554 0.248594 0.503054 Ca\n0.689446 0.751406 0.496946 Ca\n0.189446 0.248594 0.003054 Ca\n0.902468 0.260567 0.497717 Sc\n0.402468 0.739433 0.002283 Sc\n0.597532 0.260567 0.997717 Sc\n0.097532 0.739433 0.502283 Sc\n0.590119 0.444758 0.288493 Al\n0.909881 0.444758 0.788493 Al\n0.090119 0.555242 0.211507 Al\n0.409881 0.555242 0.711507 Al\n0.592815 0.059365 0.707062 Si\n0.092815 0.940635 0.792938 Si\n0.907185 0.059365 0.207062 Si\n0.407185 0.940635 0.292938 Si\n0.984262 0.133602 0.850781 O\n0.474514 0.651970 0.354953 O\n0.755683 0.467761 0.370792 O\n0.591037 0.535077 0.106199 O\n0.591732 0.983243 0.878642 O\n0.252099 0.963748 0.863272 O\n0.974514 0.348030 0.145047 O\n0.752099 0.036252 0.636728 O\n0.091732 0.016757 0.621358 O\n0.744317 0.467761 0.870792 O\n0.515738 0.133602 0.350781 O\n0.091037 0.464923 0.393801 O\n0.908963 0.535077 0.606199 O\n0.484262 0.866398 0.649219 O\n0.255683 0.532239 0.129208 O\n0.908268 0.983243 0.378642 O\n0.247901 0.963748 0.363272 O\n0.025486 0.651970 0.854953 O\n0.747901 0.036252 0.136728 O\n0.408268 0.016757 0.121358 O\n0.408963 0.464923 0.893801 O\n0.244317 0.532239 0.629208 O\n0.525486 0.348030 0.645047 O\n0.015738 0.866398 0.149219 O\n",
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{
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"spacegroup": 216
},
{
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"created_at": "2022-09-04T14:45:11.682894Z",
"structure_string": "Na1 Sr1 La1 Fe1 O6\n1.0\n0.000000 -4.173878 -4.173878\n4.173878 -0.000000 -4.173878\n4.173878 -4.173878 0.000000\nNa Sr La Fe O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 La\n0.000000 -0.000000 0.000000 Fe\n0.776188 0.223812 0.223812 O\n0.223812 0.776188 0.776188 O\n0.776188 0.223812 0.776188 O\n0.223812 0.776188 0.223812 O\n0.776188 0.776188 0.223812 O\n0.223812 0.223812 0.776188 O\n",
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"nelements": 5,
"elements": [
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"La",
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"O"
],
"chemical_system": "Fe-La-Na-O-Sr",
"density": 4.582793633443502,
"density_atomic": 0.06876235657562528,
"volume": 145.4284073147193,
"volume_molar": 8.757903393518532,
"formula_full": "Na1 Sr1 La1 Fe1 O6",
"formula_reduced": "NaSrLaFeO6",
"formula_anonymous": "ABCDE6",
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:53.528000Z",
"spacegroup": 216
},
{
"id": "mp-1519567",
"created_at": "2022-09-04T14:45:13.091935Z",
"structure_string": "Sr1 Ca1 Zr1 Fe1 O6\n1.0\n0.000000 -4.022316 -4.022316\n4.022316 0.000000 -4.022316\n4.022316 -4.022316 0.000000\nSr Ca Zr Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Fe\n0.757728 0.242272 0.242272 O\n0.242272 0.757728 0.757728 O\n0.757728 0.242272 0.757728 O\n0.242272 0.757728 0.242272 O\n0.757728 0.757728 0.242272 O\n0.242272 0.242272 0.757728 O\n",
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"elements": [
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"O"
],
"chemical_system": "Ca-Fe-O-Sr-Zr",
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"density_atomic": 0.07683187729592586,
"volume": 130.1543103194521,
"volume_molar": 7.8380757726446095,
"formula_full": "Sr1 Ca1 Zr1 Fe1 O6",
"formula_reduced": "SrCaZrFeO6",
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"updated_at": "2021-11-28T01:36:53.135000Z",
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}
]
}