H2
Alexandria ALEXAlex-ID: agm070979375 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A_992_spg2
H2
2024-08-13 16:18:16.009296
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070979375).
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 agm070979375
data_agm070979375
_cell_length_a 4.18316
_cell_length_b 5.31728
_cell_length_c 8.81708
_cell_angle_alpha 76.66742
_cell_angle_beta 115.55055
_cell_angle_gamma 91.29270
_cell_volume 171.50846
_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 0.88579 0.62610 0.54886 1.00000
H2 H 0.40685 0.63705 0.22614 1.00000
H3 H 0.59315 0.36295 0.77386 1.00000
H4 H 0.11421 0.37390 0.45114 1.00000
H5 H 0.88416 0.08408 0.72126 1.00000
H6 H 0.93658 0.35967 0.17079 1.00000
H7 H 0.06342 0.64033 0.82921 1.00000
H8 H 0.11584 0.91592 0.27874 1.00000
H9 H 0.20537 0.15094 0.02556 1.00000
H10 H 0.60713 0.90819 0.93355 1.00000
H11 H 0.39287 0.09181 0.06645 1.00000
H12 H 0.79463 0.84906 0.97444 1.00000
H13 H 0.53477 0.60685 0.19285 1.00000
H14 H 0.17756 0.60397 0.92495 1.00000
H15 H 0.82244 0.39603 0.07505 1.00000
H16 H 0.46523 0.39315 0.80715 1.00000
H17 H 0.40736 0.83760 0.66808 1.00000
H18 H 0.70015 0.62972 0.54054 1.00000
H19 H 0.29985 0.37028 0.45946 1.00000
H20 H 0.59264 0.16240 0.33192 1.00000
H21 H 0.01804 0.16070 0.70016 1.00000
H22 H 0.32543 0.91517 0.57594 1.00000
H23 H 0.67457 0.08483 0.42406 1.00000
H24 H 0.98196 0.83930 0.29984 1.00000
