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{
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"structure_string": "Sr2 Eu2 Nb2 Bi2 O12\n1.0\n5.893045 0.006545 -0.013351\n0.001397 6.091991 0.009287\n-0.026941 0.005369 8.445523\nSr Eu Nb Bi O\n2 2 2 2 12\ndirect\n0.987702 0.052232 0.250344 Sr\n0.012298 0.947768 0.749656 Sr\n0.516780 0.554317 0.248415 Eu\n0.483220 0.445683 0.751585 Eu\n0.500000 0.000000 -0.000000 Nb\n-0.000000 0.500000 0.500000 Nb\n-0.000000 0.500000 -0.000000 Bi\n0.500000 0.000000 0.500000 Bi\n0.219450 0.183190 0.948678 O\n0.279564 0.683027 0.557063 O\n0.780550 0.816810 0.051322 O\n0.720436 0.316973 0.442937 O\n0.326472 0.718466 0.940372 O\n0.175841 0.221174 0.558020 O\n0.673528 0.281534 0.059628 O\n0.824159 0.778826 0.441980 O\n0.396813 0.957545 0.228744 O\n0.111899 0.465381 0.271874 O\n0.603187 0.042455 0.771256 O\n0.888101 0.534619 0.728126 O\n",
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{
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{
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{
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{
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"structure_string": "Na1 La1 Dy1 Fe1 O6\n1.0\n0.000000 -4.026834 -4.026834\n4.026834 0.000000 -4.026834\n4.026834 -4.026834 0.000000\nNa La Dy Fe O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 La\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Fe\n0.731070 0.268930 0.268930 O\n0.268930 0.731070 0.731070 O\n0.731070 0.268930 0.731070 O\n0.268930 0.731070 0.268930 O\n0.731070 0.731070 0.268930 O\n0.268930 0.268930 0.731070 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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"La",
"Dy",
"Fe",
"O"
],
"chemical_system": "Dy-Fe-La-Na-O",
"density": 6.055510005338569,
"density_atomic": 0.07657355740934262,
"volume": 130.5933841697149,
"volume_molar": 7.864517417947789,
"formula_full": "Na1 La1 Dy1 Fe1 O6",
"formula_reduced": "NaLaDyFeO6",
"formula_anonymous": "ABCDE6",
"energy": -74.2307438,
"energy_per_atom": -7.42307438,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.8527438,
"band_gap": 0.3405,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0000008,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.186000Z",
"spacegroup": 216
},
{
"id": "mp-1521548",
"created_at": "2022-09-04T14:45:53.978164Z",
"structure_string": "Na1 Ca1 Nb1 W1 O6\n1.0\n0.000000 -4.024332 -4.024332\n4.024332 -0.000000 -4.024332\n4.024332 -4.024332 -0.000000\nNa Ca Nb W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Ca\n-0.000000 -0.000000 -0.000000 Nb\n0.500000 0.500000 0.500000 W\n0.750838 0.249162 0.249162 O\n0.249162 0.750838 0.750838 O\n0.750838 0.249162 0.750838 O\n0.249162 0.750838 0.249162 O\n0.750838 0.750838 0.249162 O\n0.249162 0.249162 0.750838 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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"Ca",
"Nb",
"W",
"O"
],
"chemical_system": "Ca-Na-Nb-O-W",
"density": 5.551820732303402,
"density_atomic": 0.0767164677197632,
"volume": 130.35010992071346,
"volume_molar": 7.849867100240089,
"formula_full": "Na1 Ca1 Nb1 W1 O6",
"formula_reduced": "NaCaNbWO6",
"formula_anonymous": "ABCDE6",
"energy": -82.20129771,
"energy_per_atom": -8.220129771,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -73.64129771,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.761000Z",
"spacegroup": 216
}
]
}