NaTmCl4
Alexandria ALEXAlex-ID: agm076131214 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_14_spg65
Na3TmCl6 TmCl3
2025-02-07 10:14:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076131214).
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 agm076131214
data_agm076131214
_cell_length_a 4.02399
_cell_length_b 6.53694
_cell_length_c 6.58123
_cell_angle_alpha 85.38630
_cell_angle_beta 90.03277
_cell_angle_gamma 90.02581
_cell_volume 172.55562
_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
Na1 Na 0.29170 0.99995 0.99970 1.00000
Tm1 Tm 0.79166 0.49990 0.49986 1.00000
Cl1 Cl 0.79149 0.21807 0.79422 1.00000
Cl2 Cl 0.29198 0.68628 0.67480 1.00000
Cl3 Cl 0.79187 0.78250 0.20626 1.00000
Cl4 Cl 0.29129 0.31329 0.32517 1.00000
