Navigation

HEAS Data Platform · Materials Science Database

Ge3P

Traditional Materials TRA

MP-ID: mp-973157 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula
Ge3P
MP-ID
mp-973157
Elements
2
Sites
8
Density
5.6380
g/cm³
Volume
146.61
ų
Cell a
5.9053
Å
Cell b
5.9053
Å
Cell c
4.8546
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 22)
2θd (Å)Ihkl
17.34 5.1141 2.1 (1,0,-1,0)
25.30 3.5209 11.2 (1,0,-1,1)
30.27 2.9527 1.4 (1,1,-2,0)
30.27 2.9527 2.8 (2,-1,-1,0)
35.09 2.5571 23.9 (2,0,-2,0)
37.04 2.4273 27.4 (0,0,0,2)
39.85 2.2624 100.0 (2,0,-2,1)
47.01 1.9330 1.4 (3,-1,-2,0)
48.55 1.8751 2.4 (2,-1,-1,2)
50.84 1.7958 1.5 (3,-1,-2,1)
51.94 1.7605 15.1 (2,0,-2,2)
59.96 1.5428 1.1 (1,0,-1,3)
61.31 1.5121 1.3 (3,-1,-2,2)
62.96 1.4763 16.6 (4,-2,-2,0)
68.64 1.3674 19.3 (2,0,-2,3)
74.17 1.2785 1.7 (4,0,-4,0)
75.35 1.2614 19.6 (4,-2,-2,2)
77.15 1.2364 13.7 (4,0,-4,1)
78.87 1.2137 2.9 (0,0,0,4)
85.92 1.1312 2.3 (4,0,-4,2)
85.92 1.1312 1.2 (4,-4,0,2)
89.36 1.0964 3.3 (2,0,-2,4)
Get direct link

Energy Properties

Formation Energy/atom
0.43492
eV/atom
Energy/atom
-12.21958
eV/atom
Energy above Hull
0.4398
eV/atom
Uncorrected Energy
-4.3808
eV/atom
Volume/atom
18.33
ų
c/a Ratio
0.8221

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

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ge · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.250

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.521
Family
Binary Alloy
Matrix Element
Ge · 0.750

Related Tasks

Related computation task IDs (5)
aaadcfjc aaadoegk aaaduldd aaaeqcsl aaafbemr

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-973157
Reference Citation

The crystal structure and related material properties of Ge3P were obtained from the Materials Project database (MP-ID: mp-973157, 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

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data 
# generated using pymatgen
data_Ge3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.90530152
_cell_length_b   5.90530152
_cell_length_c   4.85463800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999467
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge3P
_chemical_formula_sum   'Ge6 P2'
_cell_volume   146.61272345
_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
  Ge  Ge0  1  0.83010400  0.16989600  0.75000000  1.0
  Ge  Ge1  1  0.33979100  0.16989600  0.75000000  1.0
  Ge  Ge2  1  0.83010400  0.66020900  0.75000000  1.0
  Ge  Ge3  1  0.16989600  0.83010400  0.25000000  1.0
  Ge  Ge4  1  0.66020900  0.83010400  0.25000000  1.0
  Ge  Ge5  1  0.16989600  0.33979100  0.25000000  1.0
  P  P6  1  0.66666700  0.33333300  0.25000000  1.0
  P  P7  1  0.33333300  0.66666700  0.75000000  1.0
Get direct link