Tm3Zr5Be
Alexandria ALEXAlex-ID: agm072260195 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1188_spg6
ZrBe5 Tm TmZr5
2024-09-23 15:50:16.760693
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072260195).
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 agm072260195
data_agm072260195
_cell_length_a 5.85114
_cell_length_b 6.14966
_cell_length_c 6.04277
_cell_angle_alpha 97.75123
_cell_angle_beta 97.68154
_cell_angle_gamma 90.87832
_cell_volume 213.39101
_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
Tm1 Tm 0.11937 0.47502 0.65967 1.00000
Tm2 Tm 0.75022 0.07898 0.39309 1.00000
Tm3 Tm 0.57878 0.57627 0.43433 1.00000
Zr1 Zr 0.26083 0.97453 0.58773 1.00000
Zr2 Zr 0.52430 0.79636 0.96582 1.00000
Zr3 Zr 0.18739 0.18200 0.10393 1.00000
Zr4 Zr 0.03896 0.68320 0.15899 1.00000
Zr5 Zr 0.65932 0.30158 0.90734 1.00000
Be1 Be 0.89283 0.89895 0.79039 1.00000
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