Gd2Ni17

Traditional Materials TRA

MP-ID: mp-580102 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Gd2Ni17

MP-ID

mp-580102

Elements

Sites

Density

9.1407

g/cm³

Volume

476.79

Å³

Cell a

8.2900

Cell b

8.2900

Cell c

8.0110

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

Hexagonal P

Stability

Packing Fraction

0.7400

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
21.44	4.1450	1.3	(2,-1,-1,0)
22.19	4.0055	1.3	(0,0,0,2)
25.46	3.4979	3.5	(1,0,-1,2)
27.22	3.2758	7.8	(2,0,-2,1)
31.05	2.8804	34.9	(2,-1,-1,2)
33.52	2.6733	5.4	(2,0,-2,2)
34.91	2.5701	10.1	(3,-1,-2,1)
35.88	2.5028	5.9	(1,0,-1,3)
37.58	2.3931	40.9	(3,0,-3,0)
40.14	2.2466	7.5	(3,-1,-2,2)
42.18	2.1425	26.2	(2,0,-2,3)
42.18	2.1425	13.1	(2,-2,0,3)
43.68	2.0725	21.1	(2,2,-4,0)
43.68	2.0725	42.3	(4,-2,-2,0)
44.08	2.0544	100.0	(3,0,-3,2)
45.28	2.0028	32.0	(0,0,0,4)
47.79	1.9033	15.1	(3,-1,-2,3)
49.52	1.8407	23.3	(4,-2,-2,2)
50.62	1.8033	2.4	(2,-1,-1,4)
52.23	1.7514	3.8	(4,0,-4,1)
52.31	1.7490	3.6	(2,0,-2,4)
57.09	1.6133	7.2	(5,-2,-3,1)
57.16	1.6114	3.3	(3,-1,-2,4)
57.76	1.5963	1.1	(4,-1,-3,3)

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Energy Properties

Formation Energy/atom

0.40357

eV/atom

Energy/atom

-6.24983

eV/atom

Energy above Hull

0.5995

eV/atom

Uncorrected Energy

-6.2498

eV/atom

Volume/atom

12.55

Å³

c/a Ratio

0.9663

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

5.2380

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.010990

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

0.655

Family

Ni-based Alloy

Matrix Element

Ni · 0.895

Related Tasks

Related computation task IDs (2)

aaadavqw aaaduqbc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-580102

Reference Citation

The crystal structure and related material properties of Gd2Ni17 were obtained from the Materials Project database (MP-ID: mp-580102, 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

BibTeX

@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_Gd2Ni17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.29000308
_cell_length_b   8.29000308
_cell_length_c   8.01101300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999266
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd2Ni17
_chemical_formula_sum   'Gd4 Ni34'
_cell_volume   476.79037993
_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
  Gd  Gd0  1  0.00000000  0.00000000  0.25000000  1.0
  Gd  Gd1  1  0.00000000  0.00000000  0.75000000  1.0
  Gd  Gd2  1  0.66666700  0.33333300  0.25000000  1.0
  Gd  Gd3  1  0.33333300  0.66666700  0.75000000  1.0
  Ni  Ni4  1  0.04388900  0.67204000  0.25000000  1.0
  Ni  Ni5  1  0.33173400  0.16586700  0.02052400  1.0
  Ni  Ni6  1  0.83413300  0.66826600  0.02052400  1.0
  Ni  Ni7  1  0.50000000  0.00000000  0.00000000  1.0
  Ni  Ni8  1  0.66666700  0.33333300  0.60228500  1.0
  Ni  Ni9  1  0.16586700  0.83413300  0.52052400  1.0
  Ni  Ni10  1  0.67204000  0.04388900  0.75000000  1.0
  Ni  Ni11  1  0.37184900  0.32796000  0.75000000  1.0
  Ni  Ni12  1  0.95611100  0.62815100  0.75000000  1.0
  Ni  Ni13  1  0.16586700  0.33173400  0.97947600  1.0
  Ni  Ni14  1  0.33333300  0.66666700  0.39771500  1.0
  Ni  Ni15  1  0.66826600  0.83413300  0.52052400  1.0
  Ni  Ni16  1  0.16586700  0.83413300  0.97947600  1.0
  Ni  Ni17  1  0.32796000  0.95611100  0.25000000  1.0
  Ni  Ni18  1  0.00000000  0.50000000  0.50000000  1.0
  Ni  Ni19  1  0.83413300  0.66826600  0.47947600  1.0
  Ni  Ni20  1  0.37184900  0.04388900  0.75000000  1.0
  Ni  Ni21  1  0.33333300  0.66666700  0.10228500  1.0
  Ni  Ni22  1  0.95611100  0.32796000  0.75000000  1.0
  Ni  Ni23  1  0.66826600  0.83413300  0.97947600  1.0
  Ni  Ni24  1  0.62815100  0.67204000  0.25000000  1.0
  Ni  Ni25  1  0.16586700  0.33173400  0.52052400  1.0
  Ni  Ni26  1  0.00000000  0.50000000  0.00000000  1.0
  Ni  Ni27  1  0.83413300  0.16586700  0.47947600  1.0
  Ni  Ni28  1  0.67204000  0.62815100  0.75000000  1.0
  Ni  Ni29  1  0.62815100  0.95611100  0.25000000  1.0
  Ni  Ni30  1  0.83413300  0.16586700  0.02052400  1.0
  Ni  Ni31  1  0.33173400  0.16586700  0.47947600  1.0
  Ni  Ni32  1  0.66666700  0.33333300  0.89771500  1.0
  Ni  Ni33  1  0.04388900  0.37184900  0.25000000  1.0
  Ni  Ni34  1  0.32796000  0.37184900  0.25000000  1.0
  Ni  Ni35  1  0.50000000  0.50000000  0.00000000  1.0
  Ni  Ni36  1  0.50000000  0.00000000  0.50000000  1.0
  Ni  Ni37  1  0.50000000  0.50000000  0.50000000  1.0

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