Tm(BeH2)4
Alexandria ALEXAlex-ID: agm098375496 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_770_spg1
TmH3 BeH2 TmBe13
2025-04-29 23:15:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098375496).
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 agm098375496
data_agm098375496
_cell_length_a 4.30505
_cell_length_b 4.25030
_cell_length_c 6.05076
_cell_angle_alpha 93.03343
_cell_angle_beta 85.91929
_cell_angle_gamma 118.34725
_cell_volume 97.16888
_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 0.12849 0.07770 0.66154 1.00000
Be1 Be 0.01821 0.08391 0.11584 1.00000
Be2 Be 0.54137 0.60945 0.00985 1.00000
Be3 Be 0.51606 0.09642 0.06413 1.00000
Be4 Be 0.02509 0.57490 0.97038 1.00000
H1 H 0.30065 0.16219 0.27115 1.00000
H2 H 0.76605 0.68295 0.40046 1.00000
H3 H 0.76543 0.11796 0.41749 1.00000
H4 H 0.30102 0.69622 0.32772 1.00000
H5 H 0.67434 0.10282 0.55088 1.00000
H6 H 0.23657 0.63917 0.45325 1.00000
H7 H 0.04971 0.54877 0.73202 1.00000
H8 H 0.67702 0.60755 0.52529 1.00000
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