NaH7C2
Alexandria ALEXAlex-ID: agm006201286 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1186_spg1
H4C NaH C
2023-10-26 13:59:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201286).
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 agm006201286
data_agm006201286
_cell_length_a 7.24510
_cell_length_b 7.72680
_cell_length_c 3.78447
_cell_angle_alpha 117.40962
_cell_angle_beta 37.42505
_cell_angle_gamma 111.37416
_cell_volume 114.29823
_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 0.23796 0.02922 0.22594 1.00000
H2 H 0.82434 0.76726 0.61402 1.00000
H3 H 0.62958 0.53955 0.67843 1.00000
H4 H 0.27276 0.15197 0.87597 1.00000
H5 H 0.52023 0.71751 0.33291 1.00000
H6 H 0.23131 0.29111 0.46470 1.00000
H7 H 0.87632 0.59336 0.71921 1.00000
C1 C 0.15619 0.15650 0.31651 1.00000
C2 C 0.71272 0.65438 0.83661 1.00000
Na1 Na 0.77097 0.15652 0.40387 1.00000
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