EuAs
传统材料 TRAMP-ID: mp-1101926 · Space group: P-62m (#189)
Basic Information
Formula
EuAs
MP-ID
mp-1101926
Elements
2
Sites
12
Density
6.5683
g/cm³
Volume
344.16
ų
Cell a
8.0002
Å
Cell b
8.0002
Å
Cell c
6.2090
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-62m
Point Group
-6m2
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
Yes
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 26.51 | 3.3627 | 100.0 | (2,-1,-1,1) |
| 28.76 | 3.1045 | 4.6 | (0,0,0,2) |
| 36.64 | 2.4525 | 56.8 | (2,-1,-1,2) |
| 39.00 | 2.3095 | 54.6 | (3,0,-3,0) |
| 47.78 | 1.9037 | 19.9 | (4,-2,-2,1) |
| 49.17 | 1.8530 | 6.3 | (3,0,-3,2) |
| 49.59 | 1.8382 | 18.1 | (2,-1,-1,3) |
| 54.58 | 1.6813 | 17.6 | (4,-2,-2,2) |
| 59.56 | 1.5523 | 4.9 | (0,0,0,4) |
| 63.31 | 1.4690 | 5.6 | (4,1,-5,1) |
| 63.31 | 1.4690 | 11.2 | (5,-1,-4,1) |
| 64.83 | 1.4382 | 2.7 | (2,2,-4,3) |
| 64.83 | 1.4382 | 5.3 | (4,-2,-2,3) |
| 69.10 | 1.3593 | 5.7 | (4,1,-5,2) |
| 69.10 | 1.3593 | 11.5 | (5,-1,-4,2) |
| 70.64 | 1.3334 | 3.1 | (3,3,-6,0) |
| 70.64 | 1.3334 | 6.1 | (6,-3,-3,0) |
| 73.51 | 1.2883 | 15.7 | (3,0,-3,4) |
| 77.99 | 1.2252 | 1.1 | (6,-3,-3,2) |
| 78.32 | 1.2209 | 9.3 | (5,-1,-4,3) |
| 81.09 | 1.1860 | 4.4 | (2,-1,-1,5) |
| 83.77 | 1.1547 | 3.9 | (6,0,-6,0) |
| 83.77 | 1.1547 | 2.0 | (6,-6,0,0) |
| 89.80 | 1.0921 | 4.4 | (7,-2,-5,1) |
Energy Properties
Formation Energy/atom
-1.14388
eV/atom
Energy/atom
-8.62300
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-8.6230
eV/atom
Volume/atom
28.68
ų
c/a Ratio
0.7761
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
40.9965
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.119120
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Eu · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.544
Family
Binary Alloy
Matrix Element
Eu · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1101926
Reference Citation
The crystal structure and related material properties of EuAs were obtained from the Materials Project database (MP-ID: mp-1101926, database version v2026.04.13).
Literature Citation
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_EuAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.00021352
_cell_length_b 8.00021352
_cell_length_c 6.20900600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999599
_symmetry_Int_Tables_number 1
_chemical_formula_structural EuAs
_chemical_formula_sum 'Eu6 As6'
_cell_volume 344.15642724
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Eu Eu0 1 0.34176900 0.34176900 0.50000000 1.0
Eu Eu1 1 0.65823100 0.00000000 0.50000000 1.0
Eu Eu2 1 0.00000000 0.65823100 0.50000000 1.0
Eu Eu3 1 0.67464700 0.67464700 0.00000000 1.0
Eu Eu4 1 0.32535300 0.00000000 0.00000000 1.0
Eu Eu5 1 0.00000000 0.32535300 0.00000000 1.0
As As6 1 0.00000000 0.00000000 0.72778900 1.0
As As7 1 0.00000000 0.00000000 0.27221100 1.0
As As8 1 0.66666700 0.33333300 0.76665500 1.0
As As9 1 0.66666700 0.33333300 0.23334500 1.0
As As10 1 0.33333300 0.66666700 0.76665500 1.0
As As11 1 0.33333300 0.66666700 0.23334500 1.0
