Basic Information
Formula
Gd3P4Pd7
MP-ID
mp-647029
Elements
3
Sites
14
Density
9.4211
g/cm³
Volume
236.29
ų
Cell a
4.0103
Å
Cell b
8.2046
Å
Cell c
7.9622
Å
α Angle
71.28
°
β Angle
75.41
°
γ Angle
75.87
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
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 |
|---|---|---|---|
| 11.57 | 7.6464 | 11.4 | (0,1,0) |
| 11.95 | 7.4054 | 2.5 | (0,0,1) |
| 23.04 | 3.8597 | 2.7 | (0,2,1) |
| 23.27 | 3.8232 | 2.5 | (0,2,0) |
| 23.63 | 3.7657 | 18.8 | (0,1,2) |
| 24.12 | 3.6900 | 11.5 | (1,0,1) |
| 24.12 | 3.6894 | 11.5 | (1,1,0) |
| 27.91 | 3.1964 | 7.6 | (1,-1,0) |
| 27.92 | 3.1957 | 7.7 | (1,2,1) |
| 28.24 | 3.1598 | 5.4 | (1,1,2) |
| 28.24 | 3.1597 | 5.3 | (1,0,-1) |
| 28.55 | 3.1264 | 12.2 | (0,2,2) |
| 29.57 | 3.0211 | 3.2 | (0,1,-2) |
| 30.28 | 2.9516 | 21.2 | (1,0,2) |
| 30.29 | 2.9511 | 21.2 | (1,1,-1) |
| 30.94 | 2.8902 | 18.6 | (1,-1,-1) |
| 30.94 | 2.8899 | 18.6 | (1,2,2) |
| 34.97 | 2.5655 | 8.9 | (0,1,3) |
| 35.21 | 2.5488 | 37.1 | (0,3,0) |
| 36.08 | 2.4892 | 100.0 | (1,-2,0) |
| 36.09 | 2.4886 | 99.8 | (1,3,1) |
| 36.34 | 2.4722 | 28.4 | (1,-1,2) |
| 36.35 | 2.4717 | 28.4 | (1,2,-1) |
| 36.40 | 2.4685 | 37.2 | (0,0,3) |
Energy Properties
Formation Energy/atom
-0.98946
eV/atom
Energy/atom
-8.14299
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-24.3790
eV/atom
Volume/atom
16.88
ų
c/a Ratio
1.9854
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
7.2104
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.030520
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pd · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.286
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.510
Family
Interstitial Alloy
Matrix Element
Pd · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-647029
Reference Citation
The crystal structure and related material properties of Gd3P4Pd7 were obtained from the Materials Project database (MP-ID: mp-647029, 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_Gd3P4Pd7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01032730
_cell_length_b 8.20463443
_cell_length_c 7.96221842
_cell_angle_alpha 71.28479307
_cell_angle_beta 75.41166477
_cell_angle_gamma 75.86758884
_symmetry_Int_Tables_number 1
_chemical_formula_structural Gd3P4Pd7
_chemical_formula_sum 'Gd3 P4 Pd7'
_cell_volume 236.28712688
_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
Gd Gd0 1 0.31970691 0.67685660 0.68401299 1.0
Gd Gd1 1 0.68025870 0.32316632 0.31602307 1.0
Gd Gd2 1 0.00000315 0.99998481 0.00000621 1.0
P P3 1 0.65937313 0.74564659 0.93595332 1.0
P P4 1 0.34059024 0.25443886 0.06405430 1.0
P P5 1 0.89438903 0.81912542 0.39197868 1.0
P P6 1 0.10560652 0.18086202 0.60802084 1.0
Pd Pd7 1 0.30441098 0.02971104 0.36075170 1.0
Pd Pd8 1 0.49006876 0.28324798 0.73604376 1.0
Pd Pd9 1 0.83291975 0.41987250 0.91412995 1.0
Pd Pd10 1 0.69565074 0.97033429 0.63911745 1.0
Pd Pd11 1 0.16713718 0.58005735 0.08589126 1.0
Pd Pd12 1 0.99998488 0.49999176 0.50001612 1.0
Pd Pd13 1 0.50990003 0.71670447 0.26400034 1.0
