Pm6H2C3
Alexandria ALEXAlex-ID: agm005602408 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_107_spg12
Pm2HC2 PmH2 Pm2C
2023-06-12 10:56:50.020664
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005602408).
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 agm005602408
data_agm005602408
_cell_length_a 6.41232
_cell_length_b 6.41136
_cell_length_c 6.52023
_cell_angle_alpha 80.58668
_cell_angle_beta 70.90947
_cell_angle_gamma 59.99504
_cell_volume 219.36658
_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
Pm1 Pm 0.40832 0.66394 0.77404 1.00000
Pm2 Pm 0.74424 1.00000 0.77524 1.00000
Pm3 Pm 0.07226 0.33606 0.77404 1.00000
Pm4 Pm 0.25576 0.00000 0.22476 1.00000
Pm5 Pm 0.59168 0.33606 0.22596 1.00000
Pm6 Pm 0.92774 0.66394 0.22596 1.00000
H1 H 0.16695 0.66609 0.50000 1.00000
H2 H 0.83305 0.33391 0.50000 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
C2 C 0.33358 0.33285 0.00000 1.00000
C3 C 0.66642 0.66715 1.00000 1.00000
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