HfPa(TaC2)2
Alexandria ALEXAlex-ID: agm004861902 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_343_spg10
HfTaC2 PaTaC2
2022-07-13 10:18:51.531367
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004861902).
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 agm004861902
data_agm004861902
_cell_length_a 3.26538
_cell_length_b 5.78042
_cell_length_c 5.72463
_cell_angle_alpha 70.97179
_cell_angle_beta 89.99972
_cell_angle_gamma 89.99969
_cell_volume 102.14969
_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
Hf1 Hf 0.00000 0.49999 0.50000 1.00000
Pa1 Pa 0.50000 0.50000 1.00000 1.00000
Ta1 Ta 0.00000 0.00000 1.00000 1.00000
Ta2 Ta 0.50000 0.00000 0.50000 1.00000
C1 C 0.00000 0.77224 0.73531 1.00000
C2 C 1.00000 0.22776 0.26469 1.00000
C3 C 0.50000 0.76370 0.24996 1.00000
C4 C 0.50000 0.23630 0.75004 1.00000
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