Tb(ZrGe)4
Alexandria ALEXAlex-ID: agm012903530 · Space group: P2_12_12_1 (#19)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4_63_spg19
Tb2Zr3Ge4 Zr5Ge4
2025-02-04 16:07:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012903530).
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 agm012903530
data_agm012903530
_cell_length_a 7.21306
_cell_length_b 7.32570
_cell_length_c 13.87789
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 733.31747
_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
Tb1 Tb 0.75474 0.32395 0.65576 1.00000
Tb2 Tb 0.25474 0.17605 0.34424 1.00000
Tb3 Tb 0.74526 0.67605 0.15576 1.00000
Tb4 Tb 0.24526 0.82395 0.84424 1.00000
Zr1 Zr 0.42298 0.49941 0.50046 1.00000
Zr2 Zr 0.92298 0.00059 0.49954 1.00000
Zr3 Zr 0.07702 0.50059 0.00046 1.00000
Zr4 Zr 0.57702 0.99941 0.99954 1.00000
Zr5 Zr 0.40485 0.33177 0.12524 1.00000
Zr6 Zr 0.90485 0.16823 0.87476 1.00000
Zr7 Zr 0.09515 0.66823 0.62524 1.00000
Zr8 Zr 0.59515 0.83177 0.37476 1.00000
Zr9 Zr 0.09797 0.67054 0.37355 1.00000
Zr10 Zr 0.59797 0.82946 0.62645 1.00000
Zr11 Zr 0.40203 0.32946 0.87355 1.00000
Zr12 Zr 0.90203 0.17054 0.12645 1.00000
Zr13 Zr 0.74583 0.67949 0.84973 1.00000
Zr14 Zr 0.24583 0.82051 0.15027 1.00000
Zr15 Zr 0.75417 0.32051 0.34973 1.00000
Zr16 Zr 0.25417 0.17949 0.65027 1.00000
Ge1 Ge 0.56145 0.03462 0.20777 1.00000
Ge2 Ge 0.06145 0.46538 0.79223 1.00000
Ge3 Ge 0.93855 0.96538 0.70777 1.00000
Ge4 Ge 0.43855 0.53462 0.29223 1.00000
Ge5 Ge 0.93311 0.96397 0.29097 1.00000
Ge6 Ge 0.43311 0.53603 0.70903 1.00000
Ge7 Ge 0.56689 0.03603 0.79097 1.00000
Ge8 Ge 0.06689 0.46397 0.20903 1.00000
Ge9 Ge 0.55892 0.14080 0.49992 1.00000
Ge10 Ge 0.05892 0.35920 0.50008 1.00000
Ge11 Ge 0.94108 0.85920 0.99992 1.00000
Ge12 Ge 0.44108 0.64080 0.00008 1.00000
Ge13 Ge 0.79709 0.61834 0.49841 1.00000
Ge14 Ge 0.29709 0.88166 0.50159 1.00000
Ge15 Ge 0.70291 0.38166 0.99841 1.00000
Ge16 Ge 0.20291 0.11834 0.00159 1.00000
