Ba8Li4Tm
Alexandria ALEXAlex-ID: agm097665698 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1728_spg6
Ba Li Tm
2025-06-16 10:19:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097665698).
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 agm097665698
data_agm097665698
_cell_length_a 4.14219
_cell_length_b 13.15412
_cell_length_c 11.60068
_cell_angle_alpha 76.89200
_cell_angle_beta 88.50040
_cell_angle_gamma 83.70703
_cell_volume 611.90548
_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
Ba1 Ba 0.28070 0.17910 0.18796 1.00000
Ba2 Ba 0.36632 0.73358 0.06000 1.00000
Ba3 Ba 0.58424 0.60004 0.77155 1.00000
Ba4 Ba 0.29610 0.18157 0.56808 1.00000
Ba5 Ba 0.41139 0.75453 0.41678 1.00000
Ba6 Ba 0.68685 0.45043 0.31347 1.00000
Ba7 Ba 0.72966 0.29038 0.84924 1.00000
Ba8 Ba 0.89842 0.89635 0.72558 1.00000
Li1 Li 0.83737 0.94168 0.15894 1.00000
Li2 Li 0.11608 0.46685 0.02651 1.00000
Li3 Li 0.13090 0.47402 0.57962 1.00000
Li4 Li 0.83431 0.99994 0.40873 1.00000
Tm1 Tm 0.32767 0.03153 0.93353 1.00000
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