TbCr2H7
Alexandria ALEXAlex-ID: agm006209115 · Space group: Cmm2 (#35)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_743_spg12
CrH TbH3 H2
2024-02-01 07:25:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006209115).
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 agm006209115
data_agm006209115
_cell_length_a 4.39003
_cell_length_b 6.22216
_cell_length_c 4.38163
_cell_angle_alpha 134.82104
_cell_angle_beta 59.90917
_cell_angle_gamma 110.69701
_cell_volume 73.45374
_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 0.75664 0.93427 0.57405 1.00000
H2 H 0.19079 0.93569 0.57801 1.00000
H3 H 0.47350 0.61638 0.75761 1.00000
H4 H 0.97313 0.12997 0.27133 1.00000
H5 H 0.47228 0.56102 0.20242 1.00000
H6 H 0.47310 0.13126 0.27234 1.00000
H7 H 0.97288 0.61773 0.75847 1.00000
Cr1 Cr 0.32543 0.86781 0.80752 1.00000
Cr2 Cr 0.62171 0.87008 0.21194 1.00000
Tb1 Tb 0.97294 0.39317 0.03447 1.00000
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