PmH7C2
Alexandria ALEXAlex-ID: agm006201579 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1614_spg5
Pm4H9 H4C C
2024-02-06 19:19:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201579).
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 agm006201579
data_agm006201579
_cell_length_a 6.62357
_cell_length_b 8.62118
_cell_length_c 7.47913
_cell_angle_alpha 150.19048
_cell_angle_beta 55.64271
_cell_angle_gamma 101.42252
_cell_volume 123.31266
_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
H1 H 0.58063 0.00033 0.06823 1.00000
H2 H 0.92311 0.95577 0.41884 1.00000
H3 H 0.59754 0.58403 0.96974 1.00000
H4 H 0.38850 0.81897 0.89245 1.00000
H5 H 0.26568 0.91173 0.63683 1.00000
H6 H 0.24882 0.32712 0.38738 1.00000
H7 H 0.45840 0.09210 0.63027 1.00000
C1 C 0.46654 0.99192 0.99765 1.00000
C2 C 0.38008 0.91945 0.46815 1.00000
Pm1 Pm 0.92308 0.45597 0.99864 1.00000
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