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NdHo3

Traditional Materials TRA

MP-ID: mp-978094 · Space group: Pm-3m (#221)

Basic Information

Formula
NdHo3
MP-ID
mp-978094
Elements
2
Sites
4
Density
8.2586
g/cm³
Volume
128.49
ų
Cell a
5.0516
Å
Cell b
5.0436
Å
Cell c
5.0432
Å
α Angle
89.93
°
β Angle
90.01
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
Cubic P
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
30.67 2.9147 100.0 (1,-1,-1)
30.68 2.9144 100.0 (1,1,1)
30.70 2.9123 99.8 (1,1,-1)
30.70 2.9120 99.8 (1,-1,1)
35.54 2.5258 67.6 (2,0,0)
35.60 2.5218 67.3 (0,2,0)
35.60 2.5216 67.3 (0,0,2)
51.19 1.7846 24.1 (2,0,-2)
51.19 1.7846 24.1 (2,-2,0)
51.19 1.7846 24.1 (2,2,0)
51.19 1.7844 24.1 (2,0,2)
51.20 1.7842 24.1 (0,2,2)
51.27 1.7820 24.0 (0,2,-2)
60.82 1.5229 14.3 (3,-1,-1)
60.83 1.5228 14.3 (3,1,1)
60.84 1.5225 14.3 (3,1,-1)
60.85 1.5224 14.3 (3,-1,1)
60.89 1.5215 14.3 (1,-3,-1)
60.89 1.5214 14.3 (1,-1,-3)
60.89 1.5214 14.3 (1,3,1)
60.90 1.5213 14.3 (1,1,3)
60.94 1.5204 14.3 (1,3,-1)
60.94 1.5204 14.3 (1,-3,1)
60.94 1.5204 14.3 (1,1,-3)
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Energy Properties

Formation Energy/atom
0.04588
eV/atom
Energy/atom
-31.96963
eV/atom
Energy above Hull
0.0459
eV/atom
Uncorrected Energy
-31.9696
eV/atom
Volume/atom
32.12
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.0406
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000320
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ho · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.691
Family
Binary Alloy
Matrix Element
Ho · 0.750

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-978094
Reference Citation

The crystal structure and related material properties of NdHo3 were obtained from the Materials Project database (MP-ID: mp-978094, 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…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_NdHo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05157866
_cell_length_b   5.04355569
_cell_length_c   5.04318558
_cell_angle_alpha   89.92799849
_cell_angle_beta   90.00758411
_cell_angle_gamma   90.00139375
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdHo3
_chemical_formula_sum   'Nd1 Ho3'
_cell_volume   128.48976737
_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
  Nd  Nd0  1  0.99999342  0.99999396  0.99999102  1.0
  Ho  Ho1  1  0.50000346  0.00000699  0.50001577  1.0
  Ho  Ho2  1  0.00000211  0.50000066  0.49999515  1.0
  Ho  Ho3  1  0.50000201  0.49999839  0.99999906  1.0
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