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"formula_full": "Sr8 Tb4 Sn4 O24",
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{
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{
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"structure_string": "Sr1 Zr1 Ti1 Sn1 O6\n1.0\n-0.000000 -4.068819 -4.068819\n4.068819 -0.000000 -4.068819\n4.068819 -4.068819 0.000000\nSr Zr Ti Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Zr\n-0.000000 -0.000000 0.000000 Ti\n0.750000 0.750000 0.750000 Sn\n0.757915 0.242085 0.242085 O\n0.242085 0.757915 0.757915 O\n0.757915 0.242085 0.757915 O\n0.242085 0.757915 0.242085 O\n0.757915 0.757915 0.242085 O\n0.242085 0.242085 0.757915 O\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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"id": "mp-1048568",
"created_at": "2022-09-04T14:46:26.924956Z",
"structure_string": "Sr4 Y2 Sn4 O14\n1.0\n-2.744427 2.844049 13.849068\n2.744427 -2.844049 13.849068\n2.744427 2.844049 -13.849068\nSr Y Sn O\n4 2 4 14\ndirect\n0.810825 0.724073 0.913777 Sr\n0.189704 0.275927 0.086752 Sr\n0.689704 0.602952 0.913777 Sr\n0.310825 0.397048 0.086752 Sr\n0.517249 0.500000 0.017249 Y\n0.017249 0.000000 0.017249 Y\n0.437111 0.921982 0.520083 Sn\n0.598102 0.078018 0.515130 Sn\n0.098102 0.582972 0.520083 Sn\n0.937111 0.417028 0.515130 Sn\n0.006287 0.512375 0.018663 O\n0.506287 0.487625 0.493912 O\n0.216367 0.198923 0.515942 O\n0.317019 0.801077 0.017444 O\n0.817019 0.799575 0.515942 O\n0.716367 0.200425 0.017444 O\n0.716502 0.698972 0.518732 O\n0.819760 0.301028 0.017530 O\n0.319760 0.302230 0.518732 O\n0.216502 0.697770 0.017530 O\n0.871163 0.353669 0.528344 O\n0.174676 0.646331 0.517495 O\n0.674676 0.157181 0.528344 O\n0.371163 0.842819 0.517495 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"Y",
"Sn",
"O"
],
"chemical_system": "O-Sn-Sr-Y",
"density": 4.712680559757595,
"density_atomic": 0.05550625733713996,
"volume": 432.3836834147578,
"volume_molar": 10.849480849378955,
"formula_full": "Sr4 Y2 Sn4 O14",
"formula_reduced": "Sr2YSn2O7",
"formula_anonymous": "AB2C2D7",
"energy": -167.24596183,
"energy_per_atom": -6.968581742916666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -157.62796183,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000413,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.132000Z",
"spacegroup": 46
}
]
}