Pr4Ge7

Traditional Materials TRA

MP-ID: mp-867190 · Space group: C222_1 (#20)

Materials Project API

Basic Information

Formula

Pr4Ge7

MP-ID

mp-867190

Elements

Sites

Density

6.8693

g/cm³

Volume

518.33

Å³

Cell a

7.6538

Cell b

7.6538

Cell c

12.1495

α Angle

90.00

β Angle

90.00

γ Angle

46.74

Space Group

C222_1

Point Group

222

Crystal System

Orthorhombic

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
14.56	6.0821	1.4	(1,1,1)
21.64	4.1071	6.1	(1,0,2)
25.35	3.5130	12.1	(2,2,0)
28.19	3.1654	80.5	(2,1,2)
32.10	2.7880	100.0	(1,1,4)
32.12	2.7870	99.2	(2,0,0)
32.74	2.7351	1.2	(2,1,3)
32.97	2.7164	2.5	(2,0,1)
32.98	2.7158	1.4	(1,-1,2)
33.60	2.6671	7.0	(1,0,4)
33.78	2.6537	6.6	(2,2,3)
35.19	2.5504	1.5	(3,2,0)
35.44	2.5331	2.4	(2,0,2)
35.98	2.4960	4.4	(3,2,1)
37.01	2.4292	4.1	(1,-1,3)
38.27	2.3516	93.7	(3,2,2)
38.30	2.3499	1.3	(2,1,4)
39.17	2.2996	3.2	(3,3,1)
39.24	2.2959	5.8	(2,0,3)
39.94	2.2571	4.2	(3,1,1)
40.50	2.2275	2.0	(1,0,5)
41.32	2.1852	2.2	(3,3,2)
42.05	2.1486	3.3	(3,1,2)
42.08	2.1473	73.1	(1,-1,4)

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Energy Properties

Formation Energy/atom

-0.78508

eV/atom

Energy/atom

-20.30505

eV/atom

Energy above Hull

0.0040

eV/atom

Uncorrected Energy

-20.3051

eV/atom

Volume/atom

23.56

Å³

c/a Ratio

1.5874

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ge · 0.636

Element Family

N/A

Solute Fraction

0.364

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.603

Family

Binary Alloy

Matrix Element

Ge · 0.636

Related Tasks

Related computation task IDs (5)

aaaciaxx aaadwjkz aaaemnko aaaetsdk aaafissp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-867190

Reference Citation

The crystal structure and related material properties of Pr4Ge7 were obtained from the Materials Project database (MP-ID: mp-867190, 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_Pr4Ge7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.65382978
_cell_length_b   7.65382978
_cell_length_c   12.14950889
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   46.74090634
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr4Ge7
_chemical_formula_sum   'Pr8 Ge14'
_cell_volume   518.32731682
_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
  Pr  Pr0  1  0.48062404  0.00918577  0.38076216  1.0
  Pr  Pr1  1  0.51937696  0.99081423  0.88076216  1.0
  Pr  Pr2  1  0.99081423  0.51937696  0.61923884  1.0
  Pr  Pr3  1  0.00918577  0.48062404  0.11923784  1.0
  Pr  Pr4  1  0.01088897  0.98911103  -0.00000000  1.0
  Pr  Pr5  1  0.98911103  0.01088897  0.50000000  1.0
  Pr  Pr6  1  0.50316601  0.50316601  0.25000000  1.0
  Pr  Pr7  1  0.49683399  0.49683399  0.75000000  1.0
  Ge  Ge8  1  0.67085271  0.02590645  0.16042194  1.0
  Ge  Ge9  1  0.32914829  0.97409355  0.66042194  1.0
  Ge  Ge10  1  0.97409355  0.32914829  0.83957806  1.0
  Ge  Ge11  1  0.02590645  0.67085271  0.33957806  1.0
  Ge  Ge12  1  0.41913105  0.92332297  0.12812137  1.0
  Ge  Ge13  1  0.58086995  0.07667803  0.62812137  1.0
  Ge  Ge14  1  0.07667803  0.58086995  0.87187863  1.0
  Ge  Ge15  1  0.92332297  0.41913105  0.37187763  1.0
  Ge  Ge16  1  0.42827983  0.39701800  0.00990557  1.0
  Ge  Ge17  1  0.57172017  0.60298300  0.50990557  1.0
  Ge  Ge18  1  0.60298300  0.57172017  0.99009443  1.0
  Ge  Ge19  1  0.39701800  0.42827983  0.49009443  1.0
  Ge  Ge20  1  0.06662576  0.06662576  0.25000000  1.0
  Ge  Ge21  1  0.93337324  0.93337324  0.75000000  1.0

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