EuAs
传统材料 TRAMP-ID: mp-1102993 · Space group: P-62m (#189)
Basic Information
Formula
EuAs
MP-ID
mp-1102993
Elements
2
Sites
12
Density
6.6050
g/cm³
Volume
342.24
ų
Cell a
6.2927
Å
Cell b
7.9237
Å
Cell c
7.9266
Å
α Angle
120.01
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P-62m
Point Group
-6m2
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
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 |
|---|---|---|---|
| 26.58 | 3.3536 | 94.7 | (1,1,-2,-2) |
| 26.58 | 3.3536 | 94.7 | (1,-1,0,2) |
| 26.59 | 3.3527 | 95.9 | (1,2,-3,-1) |
| 26.59 | 3.3527 | 94.6 | (1,1,-2,1) |
| 26.59 | 3.3527 | 94.6 | (1,-1,0,-1) |
| 26.59 | 3.3527 | 95.8 | (1,-2,1,1) |
| 28.37 | 3.1464 | 30.4 | (2,0,-2,0) |
| 29.65 | 3.0130 | 3.6 | (1,2,-3,-2) |
| 29.65 | 3.0130 | 3.6 | (1,0,-1,-2) |
| 29.65 | 3.0130 | 3.6 | (1,0,-1,2) |
| 29.65 | 3.0130 | 3.6 | (1,-2,1,2) |
| 29.66 | 3.0121 | 3.5 | (1,2,-3,0) |
| 29.66 | 3.0121 | 3.5 | (1,-2,1,0) |
| 34.57 | 2.5946 | 1.6 | (0,1,-1,-3) |
| 34.57 | 2.5946 | 1.6 | (0,2,-2,-3) |
| 34.58 | 2.5939 | 1.5 | (0,1,-1,2) |
| 34.58 | 2.5939 | 1.5 | (0,3,-3,-2) |
| 34.59 | 2.5935 | 1.6 | (0,2,-2,1) |
| 34.59 | 2.5935 | 1.5 | (0,3,-3,-1) |
| 36.46 | 2.4643 | 53.5 | (2,1,-3,-2) |
| 36.46 | 2.4642 | 53.5 | (2,-1,-1,2) |
| 36.47 | 2.4639 | 52.6 | (2,2,-4,-1) |
| 36.47 | 2.4639 | 53.6 | (2,1,-3,1) |
| 36.47 | 2.4639 | 53.6 | (2,-1,-1,-1) |
Energy Properties
Formation Energy/atom
-1.14283
eV/atom
Energy/atom
-8.62194
eV/atom
Energy above Hull
0.0011
eV/atom
Uncorrected Energy
-27.9540
eV/atom
Volume/atom
28.52
ų
c/a Ratio
1.2597
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
13.4541
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.039310
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
0.543
Family
Binary Alloy
Matrix Element
Eu · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1102993
Reference Citation
The crystal structure and related material properties of EuAs were obtained from the Materials Project database (MP-ID: mp-1102993, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_EuAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.29271853
_cell_length_b 7.92369792
_cell_length_c 7.92664365
_cell_angle_alpha 120.01227818
_cell_angle_beta 90.00023090
_cell_angle_gamma 89.99969914
_symmetry_Int_Tables_number 1
_chemical_formula_structural EuAs
_chemical_formula_sum 'Eu6 As6'
_cell_volume 342.24131622
_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 -0.00000052 0.31953203 0.99908592 1.0
Eu Eu1 1 -0.00000274 0.68076792 0.68100426 1.0
Eu Eu2 1 -0.00000228 0.00134427 0.31987869 1.0
Eu Eu3 1 0.50000071 0.64716030 0.00067154 1.0
Eu Eu4 1 0.49999439 0.35226528 0.35251197 1.0
Eu Eu5 1 0.49999455 0.99881732 0.64652081 1.0
As As6 1 0.29296727 0.00021283 0.00009666 1.0
As As7 1 0.70707103 0.00020359 0.00008396 1.0
As As8 1 0.23088772 0.33318355 0.66679653 1.0
As As9 1 0.76910375 0.33318059 0.66678538 1.0
As As10 1 0.22759373 0.66657228 0.33328089 1.0
As As11 1 0.77239439 0.66656005 0.33327938 1.0
