NaTm2H7
Alexandria ALEXAlex-ID: agm006203391 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_526_spg2
TmH3 NaH
2023-11-23 04:43:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006203391).
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 agm006203391
data_agm006203391
_cell_length_a 5.50566
_cell_length_b 6.23192
_cell_length_c 6.23778
_cell_angle_alpha 147.24171
_cell_angle_beta 63.80415
_cell_angle_gamma 116.22240
_cell_volume 102.80771
_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
H1 H 0.13227 0.01502 0.33688 1.00000
H2 H 0.81321 0.69646 0.65676 1.00000
H3 H 0.42118 0.51857 0.83302 1.00000
H4 H 0.09464 0.19293 0.16060 1.00000
H5 H 0.47342 0.85574 0.49681 1.00000
H6 H 0.52517 0.19274 0.16078 1.00000
H7 H 0.85209 0.51872 0.83285 1.00000
Tm1 Tm 0.27390 0.65636 0.69657 1.00000
Tm2 Tm 0.67307 0.05513 0.29705 1.00000
Na1 Na 0.97343 0.35574 0.99685 1.00000
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