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{
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"structure_string": "Na1 Pr1 Zr1 Ti1 O6\n1.0\n-0.000000 -4.024976 -4.024976\n4.024976 0.000000 -4.024976\n4.024976 -4.024976 0.000000\nNa Pr Zr Ti O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Pr\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ti\n0.757913 0.242087 0.242087 O\n0.242087 0.757913 0.757913 O\n0.757913 0.242087 0.757913 O\n0.242087 0.757913 0.242087 O\n0.757913 0.757913 0.242087 O\n0.242087 0.242087 0.757913 O\n",
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{
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{
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"structure_string": "Na1 La1 Zr1 Sn1 O6\n1.0\n0.000000 -4.116752 -4.116752\n4.116752 0.000000 -4.116752\n4.116752 -4.116752 -0.000000\nNa La Zr Sn 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 Zr\n-0.000000 -0.000000 0.000000 Sn\n0.752254 0.247746 0.247746 O\n0.247746 0.752254 0.752254 O\n0.752254 0.247746 0.752254 O\n0.247746 0.752254 0.247746 O\n0.752254 0.752254 0.247746 O\n0.247746 0.247746 0.752254 O\n",
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{
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"structure_string": "K1 Pr1 Dy1 Ge1 O6\n1.0\n0.000000 -4.093275 -4.093275\n4.093275 0.000000 -4.093275\n4.093275 -4.093275 -0.000000\nK Pr Dy Ge O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Pr\n-0.000000 -0.000000 -0.000000 Dy\n0.500000 0.500000 0.500000 Ge\n0.731519 0.268481 0.268481 O\n0.268481 0.731519 0.731519 O\n0.731519 0.268481 0.731519 O\n0.268481 0.731519 0.268481 O\n0.731519 0.731519 0.268481 O\n0.268481 0.268481 0.731519 O\n",
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{
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"structure_string": "Sr1 Pr1 Gd1 Co1 O6\n1.0\n0.000000 -4.040292 -4.040292\n4.040292 0.000000 -4.040292\n4.040292 -4.040292 0.000000\nSr Pr Gd Co O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Pr\n0.500000 0.500000 0.500000 Gd\n0.000000 0.000000 0.000000 Co\n0.770440 0.229560 0.229560 O\n0.229560 0.770440 0.770440 O\n0.770440 0.229560 0.770440 O\n0.229560 0.770440 0.229560 O\n0.770440 0.770440 0.229560 O\n0.229560 0.229560 0.770440 O\n",
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{
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{
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{
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{
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"band_gap": 1.9559,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.561000Z",
"spacegroup": 16
},
{
"id": "mp-1518228",
"created_at": "2022-09-04T14:41:20.695522Z",
"structure_string": "Eu1 Nb1 Zn1 Bi1 O6\n1.0\n0.000000 -4.042398 -4.042398\n4.042398 -0.000000 -4.042398\n4.042398 -4.042398 0.000000\nEu Nb Zn Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Eu\n0.000000 -0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Zn\n0.250000 0.250000 0.250000 Bi\n0.753442 0.246558 0.246558 O\n0.246558 0.753442 0.753442 O\n0.753442 0.246558 0.753442 O\n0.246558 0.753442 0.246558 O\n0.753442 0.753442 0.246558 O\n0.246558 0.246558 0.753442 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Eu",
"Nb",
"Zn",
"Bi",
"O"
],
"chemical_system": "Bi-Eu-Nb-O-Zn",
"density": 7.7331756615710106,
"density_atomic": 0.07569249019470302,
"volume": 132.11350259817192,
"volume_molar": 7.95606108942817,
"formula_full": "Eu1 Nb1 Zn1 Bi1 O6",
"formula_reduced": "EuNbZnBiO6",
"formula_anonymous": "ABCDE6",
"energy": -78.81568139,
"energy_per_atom": -7.881568139,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.69368139,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.8686054,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.297000Z",
"spacegroup": 216
}
]
}