Ac2(PH3)3
Alexandria ALEXAlex-ID: agm006201622 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_890_spg1
Ac2PH3 PH4 AcP
2024-02-02 07:44:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201622).
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 agm006201622
data_agm006201622
_cell_length_a 8.13721
_cell_length_b 4.28103
_cell_length_c 6.30700
_cell_angle_alpha 93.65449
_cell_angle_beta 71.91160
_cell_angle_gamma 106.23902
_cell_volume 200.45352
_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
Ac1 Ac 0.35770 0.67978 0.74754 1.00000
Ac2 Ac 0.63441 0.32224 0.14566 1.00000
P1 P 0.32668 0.70858 0.26699 1.00000
P2 P 0.98219 0.97434 0.93256 1.00000
P3 P 0.63595 0.30762 0.63552 1.00000
H1 H 0.88255 0.59745 0.35799 1.00000
H2 H 0.03129 0.21869 0.08503 1.00000
H3 H 0.57306 0.78178 0.97800 1.00000
H4 H 0.36704 0.17001 0.52741 1.00000
H5 H 0.80193 0.39870 0.69478 1.00000
H6 H 0.15773 0.59750 0.44567 1.00000
H7 H 0.98665 0.19964 0.77016 1.00000
H8 H 0.95900 0.65473 0.24727 1.00000
H9 H 0.30384 0.38897 0.16542 1.00000
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