CsTcPd
Alexandria ALEXAlex-ID: agm003149082 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_143_spg164
Tc3Pd Cs Cs2Pd3
2015-05-10 01:43:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003149082).
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 agm003149082
data_agm003149082
_cell_length_a 4.26743
_cell_length_b 12.45631
_cell_length_c 4.26531
_cell_angle_alpha 87.99332
_cell_angle_beta 119.97714
_cell_angle_gamma 92.36669
_cell_volume 196.20344
_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
Cs1 Cs 0.53716 0.84634 0.57050 1.00000
Cs2 Cs 0.92195 0.44337 0.20151 1.00000
Tc1 Tc 0.56323 0.14667 0.55213 1.00000
Tc2 Tc 0.89626 0.14305 0.21901 1.00000
Pd1 Pd 0.24003 0.25582 0.87941 1.00000
Pd2 Pd 0.21945 0.03394 0.89183 1.00000
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