SmEr2(ZnGe)2
Alexandria ALEXAlex-ID: agm004546397 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_144_spg166
Sm2Er3Ge4 SmZnGe Er3(Zn2Ge)2 ErZn2
2022-06-23 04:04:30.551424
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004546397).
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 agm004546397
data_agm004546397
_cell_length_a 4.13508
_cell_length_b 4.13508
_cell_length_c 11.32791
_cell_angle_alpha 79.48359
_cell_angle_beta 79.48359
_cell_angle_gamma 60.00000
_cell_volume 163.97660
_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
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.12443 0.12443 0.62673 1.00000
Er2 Er 0.87557 0.87557 0.37327 1.00000
Zn1 Zn 0.60812 0.60812 0.17565 1.00000
Zn2 Zn 0.39188 0.39188 0.82435 1.00000
Ge1 Ge 0.73667 0.73667 0.79000 1.00000
Ge2 Ge 0.26333 0.26333 0.21000 1.00000
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