Pm3Y
Traditional Materials TRAMP-ID: mp-982880 · Space group: Pm-3m (#221)
Basic Information
Formula
Pm3Y
MP-ID
mp-982880
Elements
2
Sites
4
Density
6.3611
g/cm³
Volume
136.76
ų
Cell a
5.1521
Å
Cell b
5.1521
Å
Cell c
5.1523
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cP
Stability
No
Packing Fraction
0.5236
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 |
|---|---|---|---|
| 17.21 | 5.1523 | 4.0 | (0,0,1) |
| 17.21 | 5.1521 | 4.0 | (1,0,0) |
| 17.21 | 5.1521 | 4.0 | (0,1,0) |
| 24.43 | 3.6432 | 1.8 | (1,0,1) |
| 24.43 | 3.6432 | 1.8 | (1,0,-1) |
| 24.43 | 3.6431 | 3.6 | (0,1,1) |
| 24.43 | 3.6431 | 1.8 | (1,1,0) |
| 24.43 | 3.6431 | 1.8 | (1,-1,0) |
| 30.04 | 2.9746 | 100.0 | (1,1,1) |
| 30.04 | 2.9746 | 100.0 | (1,1,-1) |
| 30.04 | 2.9746 | 100.0 | (1,-1,1) |
| 30.04 | 2.9746 | 100.0 | (1,-1,-1) |
| 34.83 | 2.5762 | 67.4 | (0,0,2) |
| 34.83 | 2.5761 | 67.4 | (2,0,0) |
| 34.83 | 2.5760 | 67.4 | (0,2,0) |
| 39.09 | 2.3042 | 1.1 | (0,1,2) |
| 39.09 | 2.3041 | 1.1 | (0,2,1) |
| 50.08 | 1.8216 | 24.0 | (2,0,2) |
| 50.08 | 1.8216 | 24.0 | (2,0,-2) |
| 50.08 | 1.8216 | 48.0 | (0,2,2) |
| 50.08 | 1.8216 | 24.0 | (2,2,0) |
| 50.08 | 1.8215 | 24.0 | (2,-2,0) |
| 59.51 | 1.5535 | 14.3 | (1,1,3) |
| 59.51 | 1.5535 | 14.3 | (1,-1,3) |
Energy Properties
Formation Energy/atom
0.04244
eV/atom
Energy/atom
-27.19142
eV/atom
Energy above Hull
0.0424
eV/atom
Uncorrected Energy
-27.1914
eV/atom
Volume/atom
34.19
ų
c/a Ratio
1.0000
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
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pm · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.693
Family
Binary Alloy
Matrix Element
Pm · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-982880
Reference Citation
The crystal structure and related material properties of Pm3Y were obtained from the Materials Project database (MP-ID: mp-982880, 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_Pm3Y
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.15214123
_cell_length_b 5.15206473
_cell_length_c 5.15229417
_cell_angle_alpha 90.00000000
_cell_angle_beta 89.99988012
_cell_angle_gamma 89.99976023
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pm3Y
_chemical_formula_sum 'Pm3 Y1'
_cell_volume 136.76334717
_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
Pm Pm0 1 0.00000000 0.50000000 0.49999900 1.0
Pm Pm1 1 0.49999900 -0.00000000 0.49999900 1.0
Pm Pm2 1 0.49999900 0.49999800 0.00000000 1.0
Y Y3 1 -0.00000000 0.00000000 0.00000000 1.0
