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{
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{
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{
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"created_at": "2022-09-04T14:48:15.898498Z",
"structure_string": "Gd4 Sc2 Nb2 O14\n1.0\n-3.683922 3.749641 5.254281\n3.683922 -3.749641 5.254281\n3.683922 3.749641 -5.254281\nGd Sc Nb O\n4 2 2 14\ndirect\n0.000000 0.500000 0.000000 Gd\n0.000000 0.000000 0.500000 Gd\n0.000000 0.500000 0.500000 Gd\n0.500000 0.500000 0.000000 Gd\n0.500000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Nb\n0.878515 0.628515 0.250000 O\n0.121485 0.371485 0.750000 O\n0.823151 0.073151 0.750000 O\n0.402059 0.652059 0.750000 O\n0.841696 0.673054 0.765339 O\n0.407715 0.076358 0.734661 O\n0.841696 0.076358 0.168642 O\n0.407715 0.673054 0.331358 O\n0.176849 0.926849 0.250000 O\n0.597941 0.347941 0.250000 O\n0.158304 0.326946 0.234661 O\n0.592285 0.923642 0.265339 O\n0.158304 0.923642 0.831358 O\n0.592285 0.326946 0.668642 O\n",
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{
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"structure_string": "Ce1 Gd1 N2\n1.0\n3.552471 0.000000 0.000000\n0.000000 3.552471 0.000000\n0.000000 0.000000 4.988445\nCe Gd N\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Gd\n0.000000 0.000000 0.500000 N\n0.500000 0.500000 0.000000 N\n",
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{
"id": "mp-756715",
"created_at": "2022-09-04T14:42:45.569224Z",
"structure_string": "Gd6 In2 O12\n1.0\n4.688432 -4.876945 0.000000\n4.688432 4.876945 0.000000\n-0.384606 0.000000 6.754115\nGd In O\n6 2 12\ndirect\n0.560223 0.068189 0.253382 Gd\n0.068189 0.253382 0.560223 Gd\n0.746618 0.439777 0.931811 Gd\n0.253382 0.560223 0.068189 Gd\n0.931811 0.746618 0.439777 Gd\n0.439777 0.931811 0.746618 Gd\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 In\n0.689982 0.088635 0.931642 O\n0.911365 0.068358 0.310018 O\n0.403682 0.189318 0.534226 O\n0.068358 0.310018 0.911365 O\n0.534226 0.403682 0.189318 O\n0.810682 0.465774 0.596318 O\n0.189318 0.534226 0.403682 O\n0.465774 0.596318 0.810682 O\n0.931642 0.689982 0.088635 O\n0.596318 0.810682 0.465774 O\n0.088635 0.931642 0.689982 O\n0.310018 0.911365 0.068358 O\n",
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{
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"structure_string": "Re2 Tc6\n1.0\n2.763836 -4.787104 0.000000\n2.763836 4.787104 0.000000\n0.000000 0.000000 4.440874\nRe Tc\n2 6\ndirect\n0.333333 0.666667 0.750000 Re\n0.666667 0.333333 0.250000 Re\n0.167417 0.334833 0.250000 Tc\n0.665167 0.832583 0.250000 Tc\n0.167417 0.832583 0.250000 Tc\n0.832583 0.665167 0.750000 Tc\n0.334833 0.167417 0.750000 Tc\n0.832583 0.167417 0.750000 Tc\n",
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{
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{
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{
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{
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{
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{
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"structure_string": "Pu6 Mg2\n1.0\n3.355174 -5.811332 0.000000\n3.355174 5.811332 0.000000\n0.000000 0.000000 5.382565\nPu Mg\n6 2\ndirect\n0.168046 0.336093 0.250000 Pu\n0.663907 0.831954 0.250000 Pu\n0.168046 0.831954 0.250000 Pu\n0.831954 0.168046 0.750000 Pu\n0.336093 0.168046 0.750000 Pu\n0.831954 0.663907 0.750000 Pu\n0.666667 0.333333 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n",
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.10448355,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.625000Z",
"spacegroup": 194
}
]
}