Sr4LiSm2Ta2O12
Alexandria ALEXAlex-ID: agm005262265 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4E12_44_spg1
Sr3LiTaO6 Sr2SmTaO6 Sr3Li6Ta2O11 Sm2O3 Ta
2023-05-08 16:35:43.838293
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005262265).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm005262265
data_agm005262265
_cell_length_a 5.94378
_cell_length_b 6.04899
_cell_length_c 8.46600
_cell_angle_alpha 90.87190
_cell_angle_beta 92.17157
_cell_angle_gamma 90.00729
_cell_volume 304.13121
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sr1 Sr 0.03497 0.57747 0.70874 1.00000
Sr2 Sr 0.99288 0.45708 0.26497 1.00000
Sr3 Sr 0.50212 0.04339 0.75410 1.00000
Sr4 Sr 0.50134 0.96241 0.25538 1.00000
Li1 Li 0.85448 0.39159 0.93069 1.00000
Sm1 Sm 0.00609 0.01362 0.49992 1.00000
Sm2 Sm 0.45939 0.50061 0.00759 1.00000
Ta1 Ta 0.99036 0.97991 0.00178 1.00000
Ta2 Ta 0.51529 0.50364 0.50454 1.00000
O1 O 0.91502 0.97162 0.76601 1.00000
O2 O 0.07997 0.02399 0.23203 1.00000
O3 O 0.60876 0.46470 0.74237 1.00000
O4 O 0.41638 0.53531 0.27132 1.00000
O5 O 0.14602 0.28846 0.95674 1.00000
O6 O 0.82153 0.69594 0.03840 1.00000
O7 O 0.32453 0.77840 0.55059 1.00000
O8 O 0.69733 0.23437 0.44878 1.00000
O9 O 0.27799 0.82193 0.95725 1.00000
O10 O 0.70267 0.17460 0.03636 1.00000
O11 O 0.23910 0.31461 0.53761 1.00000
O12 O 0.78877 0.69344 0.46452 1.00000
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