Basic Information
Formula
Nd(Zn2Pt)2
MP-ID
mp-3295417
Elements
3
Sites
14
Density
10.9099
g/cm³
Volume
242.32
ų
Cell a
7.5842
Å
Cell b
7.5842
Å
Cell c
4.2128
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4_2/mnm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
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 |
|---|---|---|---|
| 23.46 | 3.7921 | 23.3 | (2,0,0) |
| 24.17 | 3.6828 | 1.4 | (1,0,1) |
| 26.28 | 3.3918 | 13.1 | (2,1,0) |
| 26.91 | 3.3129 | 50.5 | (1,1,1) |
| 33.42 | 2.6814 | 48.8 | (2,2,0) |
| 33.93 | 2.6419 | 78.7 | (2,1,1) |
| 37.50 | 2.3983 | 19.8 | (3,1,0) |
| 39.85 | 2.2621 | 31.1 | (2,2,1) |
| 41.66 | 2.1677 | 18.7 | (3,0,1) |
| 42.94 | 2.1064 | 42.6 | (0,0,2) |
| 43.42 | 2.0843 | 100.0 | (3,1,1) |
| 47.98 | 1.8961 | 3.4 | (4,0,0) |
| 48.36 | 1.8819 | 5.0 | (3,2,1) |
| 49.50 | 1.8414 | 6.6 | (2,0,2) |
| 49.56 | 1.8394 | 26.8 | (4,1,0) |
| 51.04 | 1.7894 | 4.5 | (2,1,2) |
| 51.09 | 1.7876 | 3.7 | (3,3,0) |
| 54.08 | 1.6959 | 1.7 | (4,2,0) |
| 54.43 | 1.6858 | 4.2 | (4,1,1) |
| 55.47 | 1.6564 | 23.5 | (2,2,2) |
| 55.87 | 1.6456 | 3.4 | (3,3,1) |
| 58.30 | 1.5827 | 10.5 | (3,1,2) |
| 58.69 | 1.5732 | 1.6 | (4,2,1) |
| 61.09 | 1.5169 | 1.4 | (5,0,0) |
Energy Properties
Formation Energy/atom
-0.71799
eV/atom
Energy/atom
-24.72311
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-24.7231
eV/atom
Volume/atom
17.31
ų
c/a Ratio
0.5555
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0003
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
Zn · 0.571
Element Family
N/A
Solute Fraction
0.429
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.727
Family
Zn-based Alloy
Matrix Element
Zn · 0.571
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3295417
Reference Citation
The crystal structure and related material properties of Nd(Zn2Pt)2 were obtained from the Materials Project database (MP-ID: mp-3295417, 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_Nd(Zn2Pt)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.58422525
_cell_length_b 7.58422525
_cell_length_c 4.21284408
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nd(Zn2Pt)2
_chemical_formula_sum 'Nd2 Zn8 Pt4'
_cell_volume 242.32478251
_cell_formula_units_Z 2
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
Nd Nd0 1 0.50000000 0.50000000 0.50000000 1.0
Nd Nd1 1 0.00000000 0.00000000 0.00000000 1.0
Zn Zn2 1 0.35154413 0.09400607 0.50000000 1.0
Zn Zn3 1 0.64845587 0.90599393 0.50000000 1.0
Zn Zn4 1 0.85154413 0.40599393 0.00000000 1.0
Zn Zn5 1 0.14845587 0.59400607 0.00000000 1.0
Zn Zn6 1 0.09400607 0.35154413 0.50000000 1.0
Zn Zn7 1 0.90599393 0.64845587 0.50000000 1.0
Zn Zn8 1 0.40599393 0.85154413 0.00000000 1.0
Zn Zn9 1 0.59400607 0.14845587 0.00000000 1.0
Pt Pt10 1 0.78229770 0.21770230 0.50000000 1.0
Pt Pt11 1 0.21770230 0.78229770 0.50000000 1.0
Pt Pt12 1 0.28229770 0.28229770 0.00000000 1.0
Pt Pt13 1 0.71770230 0.71770230 0.00000000 1.0
