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{
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{
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{
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"structure_string": "Ta1 Os3\n1.0\n1.393823 -2.414172 0.000000\n1.393823 2.414172 0.000000\n0.000000 0.000000 9.086987\nTa Os\n1 3\ndirect\n0.666667 0.333333 0.000000 Ta\n0.666667 0.333333 0.500000 Os\n0.333333 0.666667 0.264786 Os\n0.333333 0.666667 0.735214 Os\n",
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{
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{
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{
"id": "mp-20130",
"created_at": "2022-09-04T14:45:30.470047Z",
"structure_string": "Pu3 Al1\n1.0\n4.445935 0.000000 0.000000\n0.000000 4.445935 0.000000\n0.000000 0.000000 4.286206\nPu Al\n3 1\ndirect\n0.500000 0.500000 0.000000 Pu\n0.500000 0.000000 0.500000 Pu\n0.000000 0.500000 0.500000 Pu\n0.000000 0.000000 0.000000 Al\n",
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{
"id": "mp-1215171",
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"structure_string": "Zr1 W2\n1.0\n-1.623545 -1.675989 1.675989\n-1.623545 1.675989 -1.675989\n1.623545 -4.930650 -4.930650\nZr W\n1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.674909 0.674909 0.349817 W\n0.325091 0.325091 0.650183 W\n",
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{
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{
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{
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{
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"elements": [
"Gd",
"Ti",
"O"
],
"chemical_system": "Gd-O-Ti",
"density": 6.3770246736099,
"density_atomic": 0.06945111307021953,
"volume": 460.755754449118,
"volume_molar": 8.671050028976827,
"formula_full": "Gd8 Ti4 O20",
"formula_reduced": "Gd2TiO5",
"formula_anonymous": "AB2C5",
"energy": -364.27963292,
"energy_per_atom": -11.38373852875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -350.53963292,
"band_gap": 2.8953,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 56.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:56.217000Z",
"spacegroup": 14
}
]
}