Dy2Zn17

传统材料 TRA

MP-ID: mp-30964 · Space group: R-3m (#166)

Materials Project API

Basic Information

Formula

Dy2Zn17

MP-ID

mp-30964

Elements

Sites

Density

8.1413

g/cm³

Volume

293.09

Å³

Cell a

6.6904

Cell b

6.6904

Cell c

6.6904

α Angle

82.89

β Angle

82.89

γ Angle

82.89

Space Group

R-3m

Point Group

-3m

Crystal System

Trigonal

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
17.93	4.9463	1.6	(1,1,0)
24.20	3.6770	3.7	(1,1,-1)
27.03	3.2993	4.0	(2,0,0)
28.89	3.0903	9.6	(1,2,0)
28.89	3.0903	19.2	(2,1,0)
29.97	2.9814	1.8	(1,2,1)
29.97	2.9814	3.7	(2,1,1)
31.63	2.8289	1.4	(2,0,-1)
33.88	2.6457	10.2	(2,1,-1)
35.10	2.5567	26.6	(1,1,-2)
35.10	2.5567	13.3	(2,-1,-1)
36.33	2.4731	24.5	(2,2,0)
36.64	2.4528	3.0	(2,2,1)
40.75	2.2142	20.1	(0,2,-2)
40.75	2.2142	40.2	(2,0,-2)
41.04	2.1995	100.0	(3,0,0)
41.84	2.1592	9.3	(1,3,0)
41.84	2.1592	4.7	(3,1,0)
41.88	2.1572	32.5	(2,2,2)
42.11	2.1456	6.5	(1,3,1)
42.11	2.1456	13.0	(3,1,1)
46.08	1.9699	22.9	(3,1,-1)
46.08	1.9699	4.6	(3,-1,1)
46.85	1.9394	3.4	(3,2,1)

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Energy Properties

Formation Energy/atom

-0.27463

eV/atom

Energy/atom

-11.61378

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-11.6138

eV/atom

Volume/atom

15.43

Å³

c/a Ratio

1.0000

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

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Zn · 0.895

Element Family

N/A

Solute Fraction

0.105

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.775

Family

Zn-based Alloy

Matrix Element

Zn · 0.895

Related Tasks

Related computation task IDs (5)

aaadnoan aaadtbmf aaaelcqd aaaetppf aaafipay

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30964

Reference Citation

The crystal structure and related material properties of Dy2Zn17 were obtained from the Materials Project database (MP-ID: mp-30964, 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_Dy2Zn17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.69039542
_cell_length_b   6.69039670
_cell_length_c   6.69039588
_cell_angle_alpha   82.88865103
_cell_angle_beta   82.88865214
_cell_angle_gamma   82.88864636
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2Zn17
_chemical_formula_sum   'Dy2 Zn17'
_cell_volume   293.08709153
_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
  Dy  Dy0  1  0.66416293  0.66416293  0.66416293  1.0
  Dy  Dy1  1  0.33583707  0.33583707  0.33583707  1.0
  Zn  Zn2  1  0.35095649  0.35095649  0.83880022  1.0
  Zn  Zn3  1  0.35095649  0.83880022  0.35095649  1.0
  Zn  Zn4  1  0.09982608  0.09982608  0.09982608  1.0
  Zn  Zn5  1  0.90017392  0.90017392  0.90017392  1.0
  Zn  Zn6  1  -0.00000000  -0.00000000  0.50000000  1.0
  Zn  Zn7  1  0.50000000  -0.00000000  0.00000000  1.0
  Zn  Zn8  1  -0.00000000  0.50000000  0.00000000  1.0
  Zn  Zn9  1  0.70400846  0.29599154  0.00000000  1.0
  Zn  Zn10  1  1.00000000  0.70400846  0.29599154  1.0
  Zn  Zn11  1  0.29599154  0.00000000  0.70400846  1.0
  Zn  Zn12  1  0.29599154  0.70400846  0.00000000  1.0
  Zn  Zn13  1  0.00000000  0.29599154  0.70400846  1.0
  Zn  Zn14  1  0.70400846  1.00000000  0.29599154  1.0
  Zn  Zn15  1  0.64904351  0.16119978  0.64904351  1.0
  Zn  Zn16  1  0.64904351  0.64904351  0.16119978  1.0
  Zn  Zn17  1  0.16119978  0.64904351  0.64904351  1.0
  Zn  Zn18  1  0.83880022  0.35095649  0.35095649  1.0

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