Ca4PmPd2
Alexandria ALEXAlex-ID: agm024063724 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_4625_spg5
Pm7Pd3 Pm3Pd Ca5Pd2
2024-12-02 23:21:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024063724).
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 agm024063724
data_agm024063724
_cell_length_a 6.69073
_cell_length_b 6.69073
_cell_length_c 9.06669
_cell_angle_alpha 66.44625
_cell_angle_beta 113.55375
_cell_angle_gamma 145.18898
_cell_volume 210.40746
_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
Ca1 Ca 0.12241 0.87759 0.93282 1.00000
Ca2 Ca 0.87759 0.12241 0.06718 1.00000
Ca3 Ca 0.66665 0.33335 0.31446 1.00000
Ca4 Ca 0.33335 0.66665 0.68554 1.00000
Pm1 Pm 0.00000 0.00000 0.50000 1.00000
Pd1 Pd 0.66757 0.33243 0.71504 1.00000
Pd2 Pd 0.33243 0.66757 0.28496 1.00000
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