Ca2Tb2Er3
Alexandria ALEXAlex-ID: agm010012142 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_34_spg12
Tb5Er4 TbEr2 Ca
2024-06-24 11:43:22.413186
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010012142).
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 agm010012142
data_agm010012142
_cell_length_a 7.93717
_cell_length_b 7.93717
_cell_length_c 9.01404
_cell_angle_alpha 70.56358
_cell_angle_beta 70.56358
_cell_angle_gamma 26.05147
_cell_volume 234.39922
_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 0.13459 0.13459 0.56951 1.00000
Ca2 Ca 0.86541 0.86541 0.43049 1.00000
Tb1 Tb 0.71299 0.71299 0.86893 1.00000
Tb2 Tb 0.28701 0.28701 0.13107 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
Er2 Er 0.58080 0.58080 0.25848 1.00000
Er3 Er 0.41920 0.41920 0.74152 1.00000
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