Tb2Nd5Cd
Alexandria ALEXAlex-ID: agm003469736 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_414_spg107
Tb2Cd Nd
2022-05-02 15:10:11.437433
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003469736).
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 agm003469736
data_agm003469736
_cell_length_a 7.18969
_cell_length_b 7.18964
_cell_length_c 7.12337
_cell_angle_alpha 120.27487
_cell_angle_beta 120.27676
_cell_angle_gamma 90.06671
_cell_volume 258.02613
_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 0.22205 0.72206 0.44427 1.00000
Tb2 Tb 0.72228 0.22218 0.44427 1.00000
Nd1 Nd 0.72270 0.22160 0.94429 1.00000
Nd2 Nd 0.22255 0.22253 0.94406 1.00000
Nd3 Nd 0.72145 0.72143 0.94392 1.00000
Nd4 Nd 0.22176 0.72293 0.94468 1.00000
Nd5 Nd 0.72210 0.72208 0.44417 1.00000
Cd1 Cd 0.22213 0.22219 0.44435 1.00000
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