Gd2Ni7
Traditional Materials TRAMP-ID: mp-669713 · Space group: R-3m (#166)
Basic Information
Formula
Gd2Ni7
MP-ID
mp-669713
Elements
2
Sites
18
Density
9.4620
g/cm³
Volume
254.59
ų
Cell a
12.3472
Å
Cell b
12.3472
Å
Cell c
12.3472
Å
α Angle
23.11
°
β Angle
23.11
°
γ Angle
23.11
°
Space Group
R-3m
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
hR
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 |
|---|---|---|---|
| 7.36 | 12.0123 | 1.1 | (1,1,1) |
| 20.88 | 4.2543 | 5.1 | (1,0,0) |
| 22.20 | 4.0041 | 3.2 | (3,3,3) |
| 22.99 | 3.8691 | 1.6 | (2,1,1) |
| 29.75 | 3.0031 | 3.0 | (4,4,4) |
| 32.47 | 2.7578 | 42.3 | (4,3,3) |
| 34.46 | 2.6024 | 33.0 | (4,4,3) |
| 36.32 | 2.4735 | 49.1 | (1,0,-1) |
| 40.90 | 2.2065 | 6.7 | (5,5,4) |
| 42.26 | 2.1384 | 35.6 | (1,1,-1) |
| 42.50 | 2.1271 | 8.8 | (2,0,0) |
| 42.98 | 2.1044 | 100.0 | (4,3,2) |
| 43.42 | 2.0840 | 1.6 | (2,0,2) |
| 43.42 | 2.0840 | 3.2 | (2,2,0) |
| 44.10 | 2.0534 | 3.3 | (3,1,1) |
| 45.30 | 2.0021 | 15.1 | (6,6,6) |
| 45.88 | 1.9777 | 6.5 | (3,3,1) |
| 46.97 | 1.9345 | 11.9 | (4,2,2) |
| 47.63 | 1.9093 | 7.0 | (5,4,3) |
| 47.88 | 1.9000 | 7.6 | (6,6,5) |
| 50.93 | 1.7929 | 1.1 | (5,3,3) |
| 53.15 | 1.7234 | 1.6 | (6,5,4) |
| 53.39 | 1.7161 | 4.6 | (7,7,7) |
| 55.31 | 1.6609 | 5.3 | (7,7,6) |
Energy Properties
Formation Energy/atom
-0.36986
eV/atom
Energy/atom
-7.99355
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-7.9935
eV/atom
Volume/atom
14.14
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
25.8548
μB
Mag. Ordering
FiM
Mag. Sites
18
Magnetization/Volume
0.101550
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ni · 0.778
Element Family
N/A
Solute Fraction
0.222
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.887
Family
Ni-based Alloy
Matrix Element
Ni · 0.778
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-669713
Reference Citation
The crystal structure and related material properties of Gd2Ni7 were obtained from the Materials Project database (MP-ID: mp-669713, 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_Gd2Ni7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.34721199
_cell_length_b 12.34721204
_cell_length_c 12.34721230
_cell_angle_alpha 23.11242378
_cell_angle_beta 23.11242325
_cell_angle_gamma 23.11242432
_symmetry_Int_Tables_number 1
_chemical_formula_structural Gd2Ni7
_chemical_formula_sum 'Gd4 Ni14'
_cell_volume 254.59167744
_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
Gd Gd0 1 0.94911425 0.94911425 0.94911425 1.0
Gd Gd1 1 0.14727135 0.14727135 0.14727135 1.0
Gd Gd2 1 0.05088575 0.05088575 0.05088575 1.0
Gd Gd3 1 0.85272865 0.85272865 0.85272865 1.0
Ni Ni4 1 0.72156275 0.72156275 0.72156275 1.0
Ni Ni5 1 0.38789710 0.38789710 0.38789710 1.0
Ni Ni6 1 0.10972549 0.60974157 0.60974157 1.0
Ni Ni7 1 0.60974157 0.10972549 0.60974157 1.0
Ni Ni8 1 0.39025843 0.39025843 0.89027451 1.0
Ni Ni9 1 0.61210290 0.61210290 0.61210290 1.0
Ni Ni10 1 0.50000000 0.00000000 0.50000000 1.0
Ni Ni11 1 0.89027451 0.39025843 0.39025843 1.0
Ni Ni12 1 0.50000000 0.50000000 0.50000000 1.0
Ni Ni13 1 0.39025843 0.89027451 0.39025843 1.0
Ni Ni14 1 0.27843725 0.27843725 0.27843725 1.0
Ni Ni15 1 0.60974157 0.60974157 0.10972549 1.0
Ni Ni16 1 0.00000000 0.50000000 0.50000000 1.0
Ni Ni17 1 0.50000000 0.50000000 0.00000000 1.0
