SmZrO4
Alexandria ALEXAlex-ID: agm002174117 · Space group: P4bm (#100)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_253_spg100
ZrO2 SmO2
2023-03-26 13:08:39.561626
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002174117).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm002174117
data_agm002174117
_cell_length_a 5.40974
_cell_length_b 5.48469
_cell_length_c 5.48470
_cell_angle_alpha 90.00126
_cell_angle_beta 90.00398
_cell_angle_gamma 89.99787
_cell_volume 162.73505
_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
O1 O 0.76362 0.85265 0.64734 1.00000
O2 O 0.76341 0.35255 0.85248 1.00000
O3 O 0.76329 0.14755 0.35243 1.00000
O4 O 0.76350 0.64747 0.14739 1.00000
O5 O 0.26844 0.23769 0.73774 1.00000
O6 O 0.26854 0.73768 0.76234 1.00000
O7 O 0.26848 0.76228 0.26233 1.00000
O8 O 0.26838 0.26226 0.23775 1.00000
Zr1 Zr 0.43927 0.99997 0.50006 1.00000
Zr2 Zr 0.43926 0.49995 0.00007 1.00000
Sm1 Sm 0.99691 0.00000 0.00004 1.00000
Sm2 Sm 0.99691 0.49996 0.50002 1.00000
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