Dy3Ge4

传统材料 TRA

MP-ID: mp-655448 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

Dy3Ge4

MP-ID

mp-655448

Elements

Sites

Density

8.4403

g/cm³

Volume

306.15

Å³

Cell a

4.0567

Cell b

5.6888

Cell c

14.1991

α Angle

90.00

β Angle

90.00

γ Angle

110.89

Space Group

Cmcm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

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
12.47	7.0996	1.0	(0,0,2)
20.88	4.2548	2.0	(0,1,2)
20.88	4.2547	2.0	(0,1,-2)
24.31	3.6619	2.8	(1,0,1)
24.31	3.6619	2.8	(1,0,-1)
24.31	3.6618	2.9	(1,-1,-1)
24.31	3.6618	2.9	(1,-1,1)
25.09	3.5498	3.2	(0,0,4)
25.19	3.5347	24.2	(0,1,3)
25.20	3.5346	24.2	(0,1,-3)
26.66	3.3435	15.4	(1,0,2)
26.66	3.3435	15.4	(1,0,-2)
26.66	3.3435	15.4	(1,-1,-2)
26.66	3.3434	15.4	(1,-1,2)
30.21	2.9585	18.3	(1,0,3)
30.21	2.9584	18.3	(1,0,-3)
30.21	2.9584	18.3	(1,-1,-3)
30.21	2.9584	18.3	(1,-1,3)
30.28	2.9520	27.3	(0,1,4)
30.28	2.9519	27.3	(0,1,-4)
33.58	2.6687	100.0	(1,1,0)
33.58	2.6686	99.8	(1,-2,0)
33.73	2.6575	2.0	(0,2,0)
34.19	2.6228	3.2	(1,1,1)

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Energy Properties

Formation Energy/atom

-0.87138

eV/atom

Energy/atom

-22.50471

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-22.5047

eV/atom

Volume/atom

21.87

Å³

c/a Ratio

3.5002

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

Shared across all datasets

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ge · 0.571

Element Family

N/A

Solute Fraction

0.429

Interstitial Fraction

0.000

Traditional Material Features

TRA

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.573

Family

Binary Alloy

Matrix Element

Ge · 0.571

Related Tasks

Related computation task IDs (5)

aaadnhqj aaadqyud aaaelcfw aaaeufzo aaafipcx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-655448

Reference Citation

The crystal structure and related material properties of Dy3Ge4 were obtained from the Materials Project database (MP-ID: mp-655448, 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…

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Raw CIF Data

# generated using pymatgen
data_Dy3Ge4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05667737
_cell_length_b   5.68883826
_cell_length_c   14.19909488
_cell_angle_alpha   89.99847544
_cell_angle_beta   90.00026302
_cell_angle_gamma   110.88673199
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy3Ge4
_chemical_formula_sum   'Dy6 Ge8'
_cell_volume   306.15055434
_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
  Dy  Dy0  1  0.66742475  0.33984479  0.09671556  1.0
  Dy  Dy1  1  0.32814406  0.66084750  0.90358990  1.0
  Dy  Dy2  1  0.66754951  0.34027554  0.40352682  1.0
  Dy  Dy3  1  0.32823211  0.66122417  0.59663866  1.0
  Dy  Dy4  1  0.95307138  0.91071732  0.25008985  1.0
  Dy  Dy5  1  0.04250050  0.09033630  0.75012271  1.0
  Ge  Ge6  1  0.22501057  0.45505033  0.25013937  1.0
  Ge  Ge7  1  0.77068847  0.54599198  0.75014650  1.0
  Ge  Ge8  1  0.37797440  0.76101008  0.10915631  1.0
  Ge  Ge9  1  0.99779031  0.00021350  0.00016781  1.0
  Ge  Ge10  1  0.37810832  0.76144356  0.39105569  1.0
  Ge  Ge11  1  0.61759491  0.23963164  0.89107047  1.0
  Ge  Ge12  1  0.99804114  0.00094633  0.50020553  1.0
  Ge  Ge13  1  0.61768854  0.23999795  0.60917681  1.0

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