CaTbTm
Alexandria ALEXAlex-ID: agm005667788 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_7850_spg12
Tb5Tm4 TbTm5 Ca
2023-06-19 08:09:06.118142
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667788).
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 agm005667788
data_agm005667788
_cell_length_a 3.66119
_cell_length_b 6.79745
_cell_length_c 9.55514
_cell_angle_alpha 70.71043
_cell_angle_beta 112.54480
_cell_angle_gamma 105.59169
_cell_volume 204.52120
_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
Ca1 Ca 0.39424 0.22595 0.53204 1.00000
Ca2 Ca 0.60576 0.77405 0.46796 1.00000
Tb1 Tb 0.92980 0.11211 0.12327 1.00000
Tb2 Tb 0.07020 0.88789 0.87673 1.00000
Tm1 Tm 0.29826 0.45256 0.82214 1.00000
Tm2 Tm 0.70174 0.54744 0.17786 1.00000
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