Er2Ni17

Traditional Materials TRA

MP-ID: mp-30608 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Er2Ni17

MP-ID

mp-30608

Elements

Sites

Density

9.3947

g/cm³

Volume

470.98

Å³

Cell a

8.2482

Cell b

8.2482

Cell c

7.9938

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

Stability

Packing Fraction

0.7405

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
16.64	5.3264	2.1	(1,0,-1,1)
21.55	4.1241	3.1	(2,-1,-1,0)
22.24	3.9969	1.8	(0,0,0,2)
25.54	3.4880	3.9	(1,0,-1,2)
27.35	3.2609	8.0	(2,0,-2,1)
31.16	2.8702	37.0	(2,-1,-1,2)
33.65	2.6632	5.3	(2,0,-2,2)
35.08	2.5579	10.6	(3,-1,-2,1)
35.97	2.4966	6.4	(1,0,-1,3)
37.78	2.3810	42.1	(3,0,-3,0)
40.31	2.2373	5.2	(3,-1,-2,2)
40.31	2.2373	2.6	(3,-2,-1,2)
42.32	2.1357	39.1	(2,0,-2,3)
43.91	2.0621	20.6	(2,2,-4,0)
43.91	2.0621	41.3	(4,-2,-2,0)
44.28	2.0456	100.0	(3,0,-3,2)
45.38	1.9985	31.2	(0,0,0,4)
47.23	1.9246	1.5	(1,0,-1,4)
47.97	1.8965	14.7	(3,-1,-2,3)
49.76	1.8325	6.6	(2,2,-4,2)
49.76	1.8325	13.3	(4,-2,-2,2)
50.77	1.7984	1.6	(2,-1,-1,4)
52.47	1.7440	2.3	(2,0,-2,4)
52.47	1.7440	1.2	(2,-2,0,4)

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Energy Properties

Formation Energy/atom

-0.20763

eV/atom

Energy/atom

-5.86014

eV/atom

Energy above Hull

0.0049

eV/atom

Uncorrected Energy

-5.8601

eV/atom

Volume/atom

12.39

Å³

c/a Ratio

0.9692

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

14.0559

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.029840

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ni · 0.895

Element Family

N/A

Solute Fraction

0.105

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.772

Family

Ni-based Alloy

Matrix Element

Ni · 0.895

Related Tasks

Related computation task IDs (3)

aaacboyu aaadvfty aaaefpqx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30608

Reference Citation

The crystal structure and related material properties of Er2Ni17 were obtained from the Materials Project database (MP-ID: mp-30608, 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_Er2Ni17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.24818101
_cell_length_b   8.24818101
_cell_length_c   7.99383700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999203
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er2Ni17
_chemical_formula_sum   'Er4 Ni34'
_cell_volume   470.97984343
_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
  Er  Er0  1  0.66666700  0.33333300  0.25000000  1.0
  Er  Er1  1  0.33333300  0.66666700  0.75000000  1.0
  Er  Er2  1  0.00000000  0.00000000  0.75000000  1.0
  Er  Er3  1  0.00000000  0.00000000  0.25000000  1.0
  Ni  Ni4  1  0.16539300  0.83460700  0.52147700  1.0
  Ni  Ni5  1  0.16539300  0.33078500  0.52147700  1.0
  Ni  Ni6  1  0.66921500  0.83460700  0.52147700  1.0
  Ni  Ni7  1  0.33078500  0.16539300  0.02147700  1.0
  Ni  Ni8  1  0.33333300  0.66666700  0.10137900  1.0
  Ni  Ni9  1  0.66666700  0.33333300  0.60137900  1.0
  Ni  Ni10  1  0.66666700  0.33333300  0.89862100  1.0
  Ni  Ni11  1  0.33333300  0.66666700  0.39862100  1.0
  Ni  Ni12  1  0.50000000  0.00000000  0.00000000  1.0
  Ni  Ni13  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni14  1  0.00000000  0.50000000  0.50000000  1.0
  Ni  Ni15  1  0.00000000  0.50000000  0.00000000  1.0
  Ni  Ni16  1  0.50000000  0.50000000  0.00000000  1.0
  Ni  Ni17  1  0.50000000  0.00000000  0.50000000  1.0
  Ni  Ni18  1  0.32760600  0.95779100  0.25000000  1.0
  Ni  Ni19  1  0.36981500  0.32760600  0.75000000  1.0
  Ni  Ni20  1  0.95779100  0.63018500  0.75000000  1.0
  Ni  Ni21  1  0.04220900  0.36981500  0.25000000  1.0
  Ni  Ni22  1  0.63018500  0.67239400  0.25000000  1.0
  Ni  Ni23  1  0.36981500  0.04220900  0.75000000  1.0
  Ni  Ni24  1  0.67239400  0.63018500  0.75000000  1.0
  Ni  Ni25  1  0.67239400  0.04220900  0.75000000  1.0
  Ni  Ni26  1  0.95779100  0.32760600  0.75000000  1.0
  Ni  Ni27  1  0.04220900  0.67239400  0.25000000  1.0
  Ni  Ni28  1  0.63018500  0.95779100  0.25000000  1.0
  Ni  Ni29  1  0.32760600  0.36981500  0.25000000  1.0
  Ni  Ni30  1  0.16539300  0.33078500  0.97852300  1.0
  Ni  Ni31  1  0.83460700  0.16539300  0.47852300  1.0
  Ni  Ni32  1  0.33078500  0.16539300  0.47852300  1.0
  Ni  Ni33  1  0.66921500  0.83460700  0.97852300  1.0
  Ni  Ni34  1  0.16539300  0.83460700  0.97852300  1.0
  Ni  Ni35  1  0.83460700  0.66921500  0.02147700  1.0
  Ni  Ni36  1  0.83460700  0.16539300  0.02147700  1.0
  Ni  Ni37  1  0.83460700  0.66921500  0.47852300  1.0

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