Er12TlRh7
Alexandria ALEXAlex-ID: agm013206327 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB7C12_8_spg140
Er2TlRh Er5Rh3
2025-02-06 12:11:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013206327).
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 agm013206327
data_agm013206327
_cell_length_a 10.73788
_cell_length_b 10.73788
_cell_length_c 10.73788
_cell_angle_alpha 116.15077
_cell_angle_beta 116.15077
_cell_angle_gamma 96.80730
_cell_volume 919.37416
_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
Er1 Er 0.28210 0.56349 0.13526 1.00000
Er2 Er 0.57177 0.85316 0.13526 1.00000
Er3 Er 0.71790 0.43651 0.86474 1.00000
Er4 Er 0.78210 0.64684 0.71861 1.00000
Er5 Er 0.43651 0.57177 0.71861 1.00000
Er6 Er 0.85316 0.71790 0.28139 1.00000
Er7 Er 0.07177 0.93651 0.71861 1.00000
Er8 Er 0.35316 0.07177 0.13526 1.00000
Er9 Er 0.93651 0.21790 0.86474 1.00000
Er10 Er 0.42823 0.14684 0.86474 1.00000
Er11 Er 0.17461 0.67461 0.84923 1.00000
Er12 Er 0.21790 0.35316 0.28139 1.00000
Er13 Er 0.56349 0.42823 0.28139 1.00000
Er14 Er 0.14684 0.28210 0.71861 1.00000
Er15 Er 0.86523 0.36523 0.50000 1.00000
Er16 Er 0.36523 0.86523 0.50000 1.00000
Er17 Er 0.63477 0.13477 0.50000 1.00000
Er18 Er 0.13477 0.63477 0.50000 1.00000
Er19 Er 0.32539 0.17461 0.50000 1.00000
Er20 Er 0.64684 0.92823 0.86474 1.00000
Er21 Er 0.67461 0.82539 0.50000 1.00000
Er22 Er 0.82539 0.32539 0.15077 1.00000
Er23 Er 0.92823 0.06349 0.28139 1.00000
Er24 Er 0.06349 0.78210 0.13526 1.00000
Tl1 Tl 0.50000 0.50000 0.00000 1.00000
Tl2 Tl 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.48026 0.63608 0.50000 1.00000
Rh2 Rh 0.51974 0.36392 0.50000 1.00000
Rh3 Rh 0.86392 0.01974 0.50000 1.00000
Rh4 Rh 0.63608 0.13608 0.15582 1.00000
Rh5 Rh 0.01974 0.51974 0.15582 1.00000
Rh6 Rh 0.36392 0.86392 0.84418 1.00000
Rh7 Rh 0.62581 0.12581 0.75162 1.00000
Rh8 Rh 0.87419 0.62581 0.50000 1.00000
Rh9 Rh 0.12581 0.37419 0.50000 1.00000
Rh10 Rh 0.37419 0.87419 0.24838 1.00000
Rh11 Rh 0.75000 0.75000 0.00000 1.00000
Rh12 Rh 0.25000 0.25000 0.00000 1.00000
Rh13 Rh 0.13608 0.98026 0.50000 1.00000
Rh14 Rh 0.98026 0.48026 0.84418 1.00000
