Tm2CrH7
Alexandria ALEXAlex-ID: agm006209092 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_484_spg166
CrH TmH3
2024-02-06 19:17:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006209092).
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 agm006209092
data_agm006209092
_cell_length_a 4.69364
_cell_length_b 4.69363
_cell_length_c 6.74581
_cell_angle_alpha 110.27180
_cell_angle_beta 69.69063
_cell_angle_gamma 119.99672
_cell_volume 117.93620
_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 0.09752 0.75583 0.14869 1.00000
H2 H 0.84899 0.95573 0.84495 1.00000
H3 H 0.37360 0.48035 0.84501 1.00000
H4 H 0.09761 0.23107 0.14855 1.00000
H5 H 0.47320 0.85555 0.49680 1.00000
H6 H 0.57286 0.23114 0.14863 1.00000
H7 H 0.84885 0.48044 0.84510 1.00000
Tm1 Tm 0.36294 0.96632 0.82770 1.00000
Tm2 Tm 0.58355 0.74515 0.16591 1.00000
Cr1 Cr 0.97327 0.35580 0.99681 1.00000
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