Basic Information
Formula
La2AsPt8
MP-ID
mp-3251392
Elements
3
Sites
11
Density
15.1476
g/cm³
Volume
209.75
ų
Cell a
9.2780
Å
Cell b
9.2780
Å
Cell c
4.2933
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
145.42
°
Space Group
Amm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oC
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 |
|---|---|---|---|
| 9.98 | 8.8587 | 23.0 | (1,-1,0) |
| 16.84 | 5.2659 | 45.7 | (1,0,0) |
| 20.05 | 4.4293 | 17.6 | (2,-2,0) |
| 20.69 | 4.2933 | 4.9 | (0,0,1) |
| 22.05 | 4.0308 | 12.4 | (2,-1,0) |
| 23.02 | 3.8635 | 1.1 | (1,-1,1) |
| 26.79 | 3.3275 | 3.5 | (1,0,1) |
| 28.96 | 3.0828 | 6.7 | (2,-2,1) |
| 29.97 | 2.9812 | 12.3 | (3,-2,0) |
| 30.42 | 2.9386 | 34.5 | (2,-1,1) |
| 32.47 | 2.7576 | 25.1 | (1,1,0) |
| 34.05 | 2.6329 | 2.0 | (2,0,0) |
| 34.05 | 2.6329 | 2.0 | (0,2,0) |
| 36.70 | 2.4487 | 100.0 | (3,-2,1) |
| 36.70 | 2.4487 | 100.0 | (2,-3,1) |
| 36.95 | 2.4330 | 21.2 | (3,-3,1) |
| 38.45 | 2.3410 | 43.9 | (3,-1,0) |
| 38.81 | 2.3202 | 59.2 | (1,1,1) |
| 39.16 | 2.3004 | 3.3 | (4,-3,0) |
| 39.16 | 2.3004 | 3.3 | (3,-4,0) |
| 40.18 | 2.2445 | 22.3 | (2,0,1) |
| 40.74 | 2.2147 | 33.3 | (4,-4,0) |
| 42.09 | 2.1466 | 81.9 | (0,0,2) |
| 43.37 | 2.0863 | 1.4 | (1,-1,2) |
Energy Properties
Formation Energy/atom
-0.96141
eV/atom
Energy/atom
-45.15222
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-45.1522
eV/atom
Volume/atom
19.07
ų
c/a Ratio
0.4627
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0001
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
Pt · 0.727
Element Family
N/A
Solute Fraction
0.273
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.637
Family
Pt-rich Multi-Component
Matrix Element
Pt · 0.727
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3251392
Reference Citation
The crystal structure and related material properties of La2AsPt8 were obtained from the Materials Project database (MP-ID: mp-3251392, 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_La2AsPt8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.27794771
_cell_length_b 9.27794677
_cell_length_c 4.29328620
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 145.41915526
_symmetry_Int_Tables_number 1
_chemical_formula_structural La2AsPt8
_chemical_formula_sum 'La2 As1 Pt8'
_cell_volume 209.75481413
_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
La La0 1 0.62538081 0.37411631 0.50000000 1.0
La La1 1 0.37411631 0.62538081 0.50000000 1.0
As As2 1 0.22838224 0.22838224 0.00000000 1.0
Pt Pt3 1 0.10508411 0.87872234 0.00000000 1.0
Pt Pt4 1 0.87872234 0.10508411 0.00000000 1.0
Pt Pt5 1 0.49044553 0.98659903 0.00000000 1.0
Pt Pt6 1 0.98659903 0.49044553 0.00000000 1.0
Pt Pt7 1 0.19691508 0.79272454 0.50000000 1.0
Pt Pt8 1 0.79272454 0.19691508 0.50000000 1.0
Pt Pt9 1 0.98634251 0.98634251 0.50000000 1.0
Pt Pt10 1 0.64888650 0.64888650 0.00000000 1.0
