Basic Information
Formula
Er4(Al8Pt3)3
MP-ID
mp-31475
Elements
3
Sites
37
Density
8.2239
g/cm³
Volume
620.36
ų
Cell a
7.4716
Å
Cell b
7.4694
Å
Cell c
13.0572
Å
α Angle
84.54
°
β Angle
100.93
°
γ Angle
119.88
°
Space Group
P-1
Point Group
-1
Crystal System
Triclinic
Bravais Lattice
aP
Stability
Yes
Packing Fraction
-
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 |
|---|---|---|---|
| 6.89 | 12.8202 | 3.0 | (0,0,1) |
| 13.67 | 6.4764 | 4.1 | (0,1,0) |
| 13.86 | 6.3898 | 10.4 | (1,0,0) |
| 13.89 | 6.3768 | 11.7 | (1,-1,0) |
| 14.43 | 6.1368 | 1.2 | (1,0,-1) |
| 14.46 | 6.1276 | 5.4 | (1,-1,-1) |
| 15.32 | 5.7825 | 9.9 | (0,1,1) |
| 15.33 | 5.7788 | 4.5 | (0,1,-1) |
| 16.49 | 5.3760 | 5.2 | (1,0,1) |
| 17.91 | 4.9518 | 5.8 | (1,0,-2) |
| 17.93 | 4.9481 | 1.3 | (1,-1,-2) |
| 19.49 | 4.5541 | 3.4 | (0,1,-2) |
| 20.79 | 4.2734 | 75.8 | (0,0,3) |
| 21.21 | 4.1880 | 2.6 | (1,-1,2) |
| 23.06 | 3.8570 | 1.9 | (1,-1,-3) |
| 23.89 | 3.7248 | 79.1 | (1,1,0) |
| 23.93 | 3.7179 | 78.8 | (2,-1,-1) |
| 23.94 | 3.7171 | 78.5 | (1,-2,0) |
| 24.95 | 3.5682 | 1.5 | (0,1,3) |
| 26.50 | 3.3633 | 13.8 | (1,1,-2) |
| 26.51 | 3.3619 | 13.9 | (2,-1,1) |
| 26.53 | 3.3598 | 13.9 | (1,-2,-2) |
| 26.94 | 3.3091 | 1.9 | (1,0,3) |
| 27.64 | 3.2274 | 1.5 | (2,0,-1) |
Energy Properties
Formation Energy/atom
-1.00077
eV/atom
Energy/atom
-21.55919
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-21.5592
eV/atom
Volume/atom
16.77
ų
c/a Ratio
1.7476
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
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
Al · 0.649
Element Family
N/A
Solute Fraction
0.351
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.760
Family
Al-based Alloy
Matrix Element
Al · 0.649
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-31475
Reference Citation
The crystal structure and related material properties of Er4(Al8Pt3)3 were obtained from the Materials Project database (MP-ID: mp-31475, 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_Er4(Al8Pt3)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.47160123
_cell_length_b 7.46935052
_cell_length_c 13.05719937
_cell_angle_alpha 84.53897485
_cell_angle_beta 100.93307725
_cell_angle_gamma 119.88066117
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er4(Al8Pt3)3
_chemical_formula_sum 'Er4 Al24 Pt9'
_cell_volume 620.35876949
_cell_formula_units_Z 1
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 0.73268327 0.99889293 0.19223605 1.0
Er Er1 1 0.26731673 0.00110707 0.80776395 1.0
Er Er2 1 0.06235319 0.66819618 0.19223039 1.0
Er Er3 1 0.93764681 0.33180382 0.80776961 1.0
Al Al4 1 0.80779641 0.86912464 0.81559544 1.0
Al Al5 1 0.19220359 0.13087536 0.18440456 1.0
Al Al6 1 0.98208622 0.66631999 0.94477832 1.0
Al Al7 1 0.01791378 0.33368001 0.05522168 1.0
Al Al8 1 0.39793227 0.66385713 0.81685476 1.0
Al Al9 1 0.60206773 0.33614287 0.18314524 1.0
Al Al10 1 0.88278523 0.66540835 0.67124535 1.0
Al Al11 1 0.11721477 0.33459165 0.32875465 1.0
Al Al12 1 0.60296570 0.45809535 0.81642087 1.0
Al Al13 1 0.39703430 0.54190465 0.18357913 1.0
Al Al14 1 0.23019590 0.33993706 0.66985352 1.0
Al Al15 1 0.76980410 0.66006294 0.33014648 1.0
Al Al16 1 0.85305342 0.33334564 0.55901559 1.0
Al Al17 1 0.18594558 0.99939296 0.55898854 1.0
Al Al18 1 0.81405442 0.00060704 0.44101146 1.0
Al Al19 1 0.35207953 0.99952175 0.05534789 1.0
Al Al20 1 0.64792047 0.00047825 0.94465211 1.0
Al Al21 1 0.55629351 0.99345146 0.67145160 1.0
Al Al22 1 0.44370649 0.00654854 0.32854840 1.0
Al Al23 1 0.52078538 0.66748364 0.56135338 1.0
Al Al24 1 0.47921462 0.33251636 0.43864662 1.0
Al Al25 1 0.68280657 0.66751770 0.04640431 1.0
Al Al26 1 0.31719343 0.33248230 0.95359569 1.0
Al Al27 1 0.14694658 0.66665436 0.44098441 1.0
Pt Pt28 1 0.32829450 0.67169869 0.00011178 1.0
Pt Pt29 1 0.54577714 0.32493843 0.63769884 1.0
Pt Pt30 1 0.45422286 0.67506157 0.36230116 1.0
Pt Pt31 1 0.88801317 0.00833424 0.63909283 1.0
Pt Pt32 1 0.11198683 0.99166576 0.36090717 1.0
Pt Pt33 1 0.67170550 0.32830131 0.99988822 1.0
Pt Pt34 1 0.20436999 0.66662688 0.63906463 1.0
Pt Pt35 1 0.79563001 0.33337312 0.36093537 1.0
Pt Pt36 1 -0.00000000 -0.00000000 0.00000000 1.0
