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EuZn9Pt2

Alexandria ALEX

Alex-ID: agm078068463 · Space group: I4_1/amd (#141)

Basic Information

Formula
EuZn9Pt2
Alex-ID
agm078068463
Elements
3
Sites
24
Space group
I4_1/amd (#141)
Crystal system
tetragonal
Volume
398.51
ų
Cell a
8.3146
Å
Cell b
8.3146
Å
Cell c
8.3146
Å
α angle
100.24
°
β angle
100.24
°
γ angle
130.13
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
EuZn9Pt2
Eu
2.00 · 8.3%
Zn
18.00 · 75.0%
Pt
4.00 · 16.7%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.3892
eV/atom
Corrected total energy
-77.2493
eV
Raw total energy
-77.2493
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0099
eV
DOS at Fermi level
20.4840
Total magnetisation
14.2796
μB

Additional Information

Prototype ID

AB2C9_2_spg141

Decomposition

EuZn9Pt2

Computed at

2025-01-10 10:22:55

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: agm078068463).

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 agm078068463
data_agm078068463
_cell_length_a     8.31461
_cell_length_b     8.31461
_cell_length_c     8.31461
_cell_angle_alpha  100.23659
_cell_angle_beta   100.23659
_cell_angle_gamma  130.13372
_cell_volume       398.50895
_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
  Eu1 Eu 0.50000 0.50000 0.00000 1.00000
  Eu2 Eu 0.75000 0.25000 0.50000 1.00000
  Zn1 Zn 0.92709 0.01344 0.33017 1.00000
  Zn2 Zn 0.84691 0.67709 0.41364 1.00000
  Zn3 Zn 0.68327 0.59691 0.66983 1.00000
  Zn4 Zn 0.26344 0.43327 0.58636 1.00000
  Zn5 Zn 0.56673 0.73656 0.41364 1.00000
  Zn6 Zn 0.98656 0.07291 0.66983 1.00000
  Zn7 Zn 0.32291 0.15309 0.58636 1.00000
  Zn8 Zn 0.40309 0.31673 0.33017 1.00000
  Zn9 Zn 0.32291 0.73656 0.16983 1.00000
  Zn10 Zn 0.40309 0.07291 0.08636 1.00000
  Zn11 Zn 0.56673 0.15309 0.83017 1.00000
  Zn12 Zn 0.98656 0.31673 0.91364 1.00000
  Zn13 Zn 0.68327 0.01344 0.08636 1.00000
  Zn14 Zn 0.26344 0.67709 0.83017 1.00000
  Zn15 Zn 0.92709 0.59691 0.91364 1.00000
  Zn16 Zn 0.84691 0.43327 0.16983 1.00000
  Zn17 Zn 0.00000 0.00000 0.00000 1.00000
  Zn18 Zn 0.25000 0.75000 0.50000 1.00000
  Pt1 Pt 0.12500 0.37500 0.25000 1.00000
  Pt2 Pt 0.12500 0.87500 0.25000 1.00000
  Pt3 Pt 0.12500 0.87500 0.75000 1.00000
  Pt4 Pt 0.62500 0.87500 0.75000 1.00000
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