Ca2Ac4Pm3
Alexandria ALEXAlex-ID: agm005641267 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_764_spg71
Ca Ac Pm
2023-06-26 20:18:06.873352
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005641267).
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 agm005641267
data_agm005641267
_cell_length_a 3.79175
_cell_length_b 6.24526
_cell_length_c 15.89760
_cell_angle_alpha 101.39861
_cell_angle_beta 96.84924
_cell_angle_gamma 89.99976
_cell_volume 366.29623
_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
Ca1 Ca 0.38062 0.88077 0.76123 1.00000
Ca2 Ca 0.61938 0.11923 0.23877 1.00000
Ac1 Ac 0.44360 0.44399 0.88720 1.00000
Ac2 Ac 0.76690 0.76706 0.53380 1.00000
Ac3 Ac 0.55640 0.55601 0.11280 1.00000
Ac4 Ac 0.23310 0.23294 0.46620 1.00000
Pm1 Pm 0.83736 0.33728 0.67472 1.00000
Pm2 Pm 0.16264 0.66272 0.32528 1.00000
Pm3 Pm 0.00000 0.00000 0.00000 1.00000
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