Pm2H7C
Alexandria ALEXAlex-ID: agm006201575 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_875_spg8
Pm4H9 H4C C
2023-11-03 11:11:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201575).
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 agm006201575
data_agm006201575
_cell_length_a 6.71075
_cell_length_b 3.75982
_cell_length_c 6.01337
_cell_angle_alpha 90.03373
_cell_angle_beta 46.44146
_cell_angle_gamma 90.08336
_cell_volume 109.95022
_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 0.93755 0.73629 0.33975 1.00000
H2 H 0.73008 0.00632 0.99066 1.00000
H3 H 0.38359 0.50597 0.48437 1.00000
H4 H 0.49750 0.00572 0.80074 1.00000
H5 H 0.24655 0.00563 0.34832 1.00000
H6 H 0.93346 0.27277 0.34027 1.00000
H7 H 0.85118 0.50806 0.16145 1.00000
C1 C 0.00068 0.50503 0.18914 1.00000
Pm1 Pm 0.17491 0.00573 0.76693 1.00000
Pm2 Pm 0.47689 0.50587 0.04654 1.00000
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