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Ac8PmHo4

Alexandria ALEX

Alex-ID: agm097680247 · Space group: P1 (#1)

Basic Information

Formula
Ac8PmHo4
Alex-ID
agm097680247
Elements
3
Sites
13
Space group
P1 (#1)
Crystal system
triclinic
Volume
521.82
ų
Cell a
3.8110
Å
Cell b
12.5462
Å
Cell c
12.5784
Å
α angle
60.19
°
β angle
89.77
°
γ angle
90.14
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac8PmHo4
Ac
8.00 · 61.5%
Pm
1.00 · 7.7%
Ho
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1157
eV/atom
Formation energy
0.1137
eV/atom
Corrected total energy
-54.4543
eV
Raw total energy
-54.4543
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
21.2227
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_799_spg65

Decomposition

PmHo8 Pm2Ho7 Ac

Computed at

2025-06-18 02:59:52

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: agm097680247).

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 agm097680247
data_agm097680247
_cell_length_a     3.81097
_cell_length_b     12.54620
_cell_length_c     12.57845
_cell_angle_alpha  60.18896
_cell_angle_beta   89.77377
_cell_angle_gamma  90.13532
_cell_volume       521.81967
_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 0.19384 0.14273 0.21506 1.00000
  Ac2 Ac 0.19262 0.68111 0.10996 1.00000
  Ac3 Ac 0.18865 0.56629 0.67905 1.00000
  Ac4 Ac 0.17025 0.31445 0.58969 1.00000
  Ac5 Ac 0.69879 0.86284 0.45345 1.00000
  Ac6 Ac 0.69170 0.36160 0.29885 1.00000
  Ac7 Ac 0.69054 0.25836 0.90515 1.00000
  Ac8 Ac 0.69669 0.77046 0.80068 1.00000
  Pm1 Pm 0.69753 0.91991 0.13292 1.00000
  Ho1 Ho 0.20448 0.00841 0.86187 1.00000
  Ho2 Ho 0.19321 0.46556 0.99991 1.00000
  Ho3 Ho 0.67885 0.59959 0.40195 1.00000
  Ho4 Ho 0.20285 0.04870 0.55146 1.00000
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