Tm2Zr7
Alexandria ALEXAlex-ID: agm009620172 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7_148_spg12
TmZr5 Tm
2024-03-19 19:25:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009620172).
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 agm009620172
data_agm009620172
_cell_length_a 7.77536
_cell_length_b 7.77536
_cell_length_c 7.84095
_cell_angle_alpha 76.65527
_cell_angle_beta 76.65527
_cell_angle_gamma 28.72385
_cell_volume 221.25497
_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 0.11152 0.11152 0.33237 1.00000
Tm2 Tm 0.88848 0.88848 0.66763 1.00000
Zr1 Zr 0.32957 0.32957 0.03100 1.00000
Zr2 Zr 0.67043 0.67043 0.96900 1.00000
Zr3 Zr 0.21096 0.21096 0.65124 1.00000
Zr4 Zr 0.78904 0.78904 0.34876 1.00000
Zr5 Zr 0.00000 0.00000 0.00000 1.00000
Zr6 Zr 0.44311 0.44311 0.30294 1.00000
Zr7 Zr 0.55689 0.55689 0.69706 1.00000
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