Tb12Sm2Zr
Alexandria ALEXAlex-ID: agm005794841 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C12_71_spg67
Tb5Sm Tb Zr
2023-07-18 17:39:10.958175
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005794841).
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 agm005794841
data_agm005794841
_cell_length_a 6.68320
_cell_length_b 6.68320
_cell_length_c 24.06895
_cell_angle_alpha 93.62476
_cell_angle_beta 86.37523
_cell_angle_gamma 63.94008
_cell_volume 958.84026
_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
Tb1 Tb 0.48861 0.51061 0.80557 1.00000
Tb2 Tb 0.98939 0.01139 0.80557 1.00000
Tb3 Tb 0.73206 0.76794 0.87921 1.00000
Tb4 Tb 0.16736 0.82490 0.93538 1.00000
Tb5 Tb 0.94592 0.05794 0.32611 1.00000
Tb6 Tb 0.33264 0.67510 0.06462 1.00000
Tb7 Tb 0.85697 0.15293 0.55646 1.00000
Tb8 Tb 0.44206 0.55408 0.32611 1.00000
Tb9 Tb 0.23636 0.26364 0.88097 1.00000
Tb10 Tb 0.76794 0.73206 0.12079 1.00000
Tb11 Tb 0.35164 0.14836 0.57187 1.00000
Tb12 Tb 0.64303 0.34707 0.44354 1.00000
Tb13 Tb 0.05794 0.94592 0.67389 1.00000
Tb14 Tb 0.14836 0.35164 0.42813 1.00000
Tb15 Tb 0.26364 0.23636 0.11903 1.00000
Tb16 Tb 0.66108 0.83892 0.42042 1.00000
Tb17 Tb 0.83892 0.66108 0.57958 1.00000
Tb18 Tb 0.01139 0.98939 0.19443 1.00000
Tb19 Tb 0.34707 0.64303 0.55646 1.00000
Tb20 Tb 0.55408 0.44206 0.67389 1.00000
Tb21 Tb 0.67510 0.33264 0.93538 1.00000
Tb22 Tb 0.51061 0.48861 0.19443 1.00000
Tb23 Tb 0.15293 0.85697 0.44354 1.00000
Tb24 Tb 0.82490 0.16736 0.06462 1.00000
Sm1 Sm 0.47269 0.02731 0.26661 1.00000
Sm2 Sm 0.96718 0.53282 0.26553 1.00000
Sm3 Sm 0.02731 0.47269 0.73339 1.00000
Sm4 Sm 0.53282 0.96718 0.73447 1.00000
Zr1 Zr 0.48101 0.01899 0.99666 1.00000
Zr2 Zr 0.01899 0.48101 0.00334 1.00000
