Tm8TiCu4
Alexandria ALEXAlex-ID: agm098142183 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1674_spg1
Tm Ti TmCu
2025-06-22 18:10:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098142183).
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 agm098142183
data_agm098142183
_cell_length_a 4.56890
_cell_length_b 8.56835
_cell_length_c 9.58422
_cell_angle_alpha 124.51909
_cell_angle_beta 90.02322
_cell_angle_gamma 90.00332
_cell_volume 309.14322
_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 0.30779 0.38674 0.44598 1.00000
Tm2 Tm 0.30823 0.15000 0.83239 1.00000
Tm3 Tm 0.30810 0.62235 0.22456 1.00000
Tm4 Tm 0.30750 0.60441 0.86571 1.00000
Tm5 Tm 0.80797 0.30482 0.15668 1.00000
Tm6 Tm 0.80760 0.23870 0.62624 1.00000
Tm7 Tm 0.80789 0.90131 0.20839 1.00000
Tm8 Tm 0.80858 0.79127 0.53955 1.00000
Ti1 Ti 0.30753 0.01842 0.06730 1.00000
Cu1 Cu 0.80692 0.91247 0.90160 1.00000
Cu2 Cu 0.30708 0.01157 0.47479 1.00000
Cu3 Cu 0.80737 0.47835 0.98655 1.00000
Cu4 Cu 0.80745 0.57959 0.67026 1.00000
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