Pr2Mo2C3
Alexandria ALEXAlex-ID: agm005270643 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_172_spg14
Pr2Mo2C3
2022-12-13 00:12:48.624346
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005270643).
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 agm005270643
data_agm005270643
_cell_length_a 6.71586
_cell_length_b 6.02030
_cell_length_c 12.10195
_cell_angle_alpha 67.83890
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 453.15388
_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
Pr1 Pr 0.78353 0.68791 0.90920 1.00000
Pr2 Pr 0.28353 0.31209 0.59080 1.00000
Pr3 Pr 0.21647 0.31209 0.09080 1.00000
Pr4 Pr 0.71647 0.68791 0.40920 1.00000
Pr5 Pr 0.99908 0.72832 0.63747 1.00000
Pr6 Pr 0.49908 0.27168 0.86253 1.00000
Pr7 Pr 0.00092 0.27168 0.36253 1.00000
Pr8 Pr 0.50092 0.72832 0.13747 1.00000
Mo1 Mo 0.99468 0.81928 0.11943 1.00000
Mo2 Mo 0.49468 0.18072 0.38057 1.00000
Mo3 Mo 0.00532 0.18072 0.88057 1.00000
Mo4 Mo 0.50532 0.81928 0.61943 1.00000
Mo5 Mo 0.75579 0.17683 0.65706 1.00000
Mo6 Mo 0.24421 0.82317 0.34294 1.00000
Mo7 Mo 0.74421 0.17683 0.15706 1.00000
Mo8 Mo 0.25579 0.82317 0.84294 1.00000
C1 C 0.62843 0.50297 0.64042 1.00000
C2 C 0.12843 0.49703 0.85958 1.00000
C3 C 0.37157 0.49703 0.35958 1.00000
C4 C 0.87157 0.50297 0.14042 1.00000
C5 C 0.21864 0.94249 0.98939 1.00000
C6 C 0.71864 0.05751 0.51061 1.00000
C7 C 0.78136 0.05751 0.01061 1.00000
C8 C 0.28136 0.94249 0.48939 1.00000
C9 C 0.48595 0.03305 0.24785 1.00000
C10 C 0.01405 0.03305 0.74785 1.00000
C11 C 0.98595 0.96695 0.25215 1.00000
C12 C 0.51405 0.96695 0.75215 1.00000
