Pr2(PH3)3
Alexandria ALEXAlex-ID: agm006201612 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_1394_spg1
Pr2PH3 PH4 PrP
2024-02-02 07:46:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201612).
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 agm006201612
data_agm006201612
_cell_length_a 9.38418
_cell_length_b 4.12181
_cell_length_c 5.99491
_cell_angle_alpha 86.80745
_cell_angle_beta 71.14105
_cell_angle_gamma 116.04099
_cell_volume 191.75887
_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
Pr1 Pr 0.37139 0.71208 0.74934 1.00000
Pr2 Pr 0.66602 0.49998 0.07259 1.00000
P1 P 0.39088 0.70276 0.23911 1.00000
P2 P 0.07320 0.92298 0.88132 1.00000
P3 P 0.65455 0.49568 0.56571 1.00000
H1 H 0.77059 0.11400 0.97003 1.00000
H2 H 0.97283 0.29073 0.39702 1.00000
H3 H 0.24499 0.64847 0.17093 1.00000
H4 H 0.10183 0.75295 0.68019 1.00000
H5 H 0.80720 0.60659 0.61984 1.00000
H6 H 0.24688 0.46598 0.47381 1.00000
H7 H 0.07819 0.64969 0.03703 1.00000
H8 H 0.96130 0.28533 0.52797 1.00000
H9 H 0.66015 0.85278 0.61510 1.00000
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