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Sr8AcP4

Alexandria ALEX

Alex-ID: agm097986393 · Space group: Pm (#6)

Basic Information

Formula
Sr8AcP4
Alex-ID
agm097986393
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
535.31
ų
Cell a
4.4316
Å
Cell b
11.3222
Å
Cell c
12.1795
Å
α angle
61.16
°
β angle
90.03
°
γ angle
90.06
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr8AcP4
Sr
8.00 · 61.5%
Ac
1.00 · 7.7%
P
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1373
eV/atom
Formation energy
-0.7039
eV/atom
Corrected total energy
-48.4142
eV
Raw total energy
-48.4142
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0127
eV
DOS at Fermi level
7.8371
Total magnetisation
1.9871
μB

Additional Information

Prototype ID

AB4C8_786_spg8

Decomposition

Sr3AcP3 Sr3P2 Sr

Computed at

2025-06-18 04:06:07

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097986393).

Reference

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

BibTeX
@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…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm097986393
data_agm097986393
_cell_length_a     4.43158
_cell_length_b     11.32217
_cell_length_c     12.17952
_cell_angle_alpha  61.16001
_cell_angle_beta   90.02835
_cell_angle_gamma  90.06159
_cell_volume       535.31304
_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
  Sr1 Sr 0.30602 0.34305 0.02088 1.00000
  Sr2 Sr 0.80876 0.71825 0.37556 1.00000
  Sr3 Sr 0.30805 0.64547 0.66546 1.00000
  Sr4 Sr 0.30812 0.98216 0.65113 1.00000
  Sr5 Sr 0.80583 0.09384 0.32243 1.00000
  Sr6 Sr 0.30698 0.45129 0.29120 1.00000
  Sr7 Sr 0.80813 0.32328 0.66863 1.00000
  Sr8 Sr 0.80774 0.69309 0.95359 1.00000
  Ac1 Ac 0.30873 0.98566 0.99382 1.00000
  P1 P 0.80853 0.01233 0.82213 1.00000
  P2 P 0.80650 0.39672 0.15715 1.00000
  P3 P 0.30839 0.51079 0.50627 1.00000
  P4 P 0.80823 0.84409 0.57176 1.00000
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