Basic Information
Formula
ErAsPt
MP-ID
mp-1102478
Elements
3
Sites
12
Density
12.2931
g/cm³
Volume
236.26
ų
Cell a
4.2447
Å
Cell b
4.2447
Å
Cell c
15.1412
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
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 21)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 23.50 | 3.7853 | 4.3 | (0,0,0,4) |
| 24.21 | 3.6761 | 1.3 | (1,0,-1,0) |
| 24.93 | 3.5723 | 16.4 | (1,0,-1,1) |
| 30.07 | 2.9714 | 1.7 | (1,0,-1,3) |
| 34.00 | 2.6371 | 100.0 | (1,0,-1,4) |
| 38.52 | 2.3373 | 12.0 | (1,0,-1,5) |
| 42.60 | 2.1224 | 58.5 | (2,-1,-1,0) |
| 48.07 | 1.8927 | 11.3 | (0,0,0,8) |
| 49.22 | 1.8512 | 3.6 | (2,-1,-1,4) |
| 49.99 | 1.8246 | 2.6 | (2,0,-2,1) |
| 55.58 | 1.6534 | 24.8 | (2,0,-2,4) |
| 58.77 | 1.5713 | 3.6 | (2,0,-2,5) |
| 60.52 | 1.5298 | 5.0 | (1,0,-1,9) |
| 66.15 | 1.4126 | 26.2 | (2,-1,-1,8) |
| 67.72 | 1.3836 | 2.2 | (3,-1,-2,1) |
| 72.46 | 1.3043 | 22.5 | (3,-1,-2,4) |
| 75.25 | 1.2628 | 3.5 | (3,-1,-2,5) |
| 76.81 | 1.2410 | 2.5 | (2,0,-2,9) |
| 77.97 | 1.2254 | 10.1 | (3,0,-3,0) |
| 80.48 | 1.1934 | 6.4 | (1,0,-1,12) |
| 87.95 | 1.1103 | 2.2 | (1,0,-1,13) |
Energy Properties
Formation Energy/atom
-1.36368
eV/atom
Energy/atom
-34.73724
eV/atom
Energy above Hull
0.0073
eV/atom
Uncorrected Energy
-34.7372
eV/atom
Volume/atom
19.69
ų
c/a Ratio
3.5671
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Er · 0.333
Element Family
N/A
Solute Fraction
0.667
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.385
Family
Er-rich Multi-Component
Matrix Element
Er · 0.333
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1102478
Reference Citation
The crystal structure and related material properties of ErAsPt were obtained from the Materials Project database (MP-ID: mp-1102478, 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_ErAsPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.24473300
_cell_length_b 4.24473300
_cell_length_c 15.14121408
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000060
_symmetry_Int_Tables_number 1
_chemical_formula_structural ErAsPt
_chemical_formula_sum 'Er4 As4 Pt4'
_cell_volume 236.26102514
_cell_formula_units_Z 4
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
Er Er0 1 -0.00000000 -0.00000000 0.50000000 1.0
Er Er1 1 -0.00000000 -0.00000000 -0.00000000 1.0
Er Er2 1 -0.00000000 -0.00000000 0.25000000 1.0
Er Er3 1 -0.00000000 -0.00000000 0.75000000 1.0
As As4 1 0.33333300 0.66666700 0.88473892 1.0
As As5 1 0.66666700 0.33333300 0.11526108 1.0
As As6 1 0.66666700 0.33333300 0.38473892 1.0
As As7 1 0.33333300 0.66666700 0.61526108 1.0
Pt Pt8 1 0.33333300 0.66666700 0.36336736 1.0
Pt Pt9 1 0.66666700 0.33333300 0.63663264 1.0
Pt Pt10 1 0.66666700 0.33333300 0.86336736 1.0
Pt Pt11 1 0.33333300 0.66666700 0.13663264 1.0
