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HEAS Data Platform · Materials Science Database

Ac2URu2

Traditional Materials TRA

MP-ID: mp-3253648 · Space group: Immm (#71)

Basic Information

Formula
Ac2URu2
MP-ID
mp-3253648
Elements
3
Sites
5
Density
10.9836
g/cm³
Volume
135.18
ų
Cell a
6.4251
Å
Cell b
6.4251
Å
Cell c
6.4251
Å
α Angle
142.22
°
β Angle
122.09
°
γ Angle
71.24
°
Space Group
Immm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic I
Stability
Yes
Packing Fraction
0.6800

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
16.59 5.3448 9.6 (0,1,-1)
16.98 5.2230 7.5 (1,1,-1)
23.01 3.8653 16.4 (0,1,0)
25.76 3.4584 11.8 (0,0,1)
25.76 3.4584 11.8 (1,-1,0)
28.70 3.1104 33.0 (1,-1,1)
29.40 3.0384 61.3 (1,2,-2)
29.40 3.0384 61.3 (2,1,-1)
31.01 2.8836 33.3 (1,1,-2)
31.01 2.8836 100.0 (2,0,-1)
33.53 2.6724 8.7 (0,2,-2)
33.53 2.6724 8.7 (2,0,0)
33.56 2.6703 14.6 (1,2,-1)
33.56 2.6703 14.6 (2,1,-2)
34.34 2.6115 20.1 (2,2,-2)
37.10 2.4232 26.9 (0,1,-2)
37.10 2.4232 80.6 (1,0,1)
43.42 2.0841 1.5 (2,2,-3)
43.42 2.0841 3.0 (1,3,-2)
43.42 2.0841 1.5 (3,1,-2)
43.50 2.0803 38.2 (1,-1,-1)
45.82 1.9805 1.1 (2,3,-3)
45.82 1.9805 1.1 (3,2,-2)
46.86 1.9387 1.1 (1,0,-2)
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Energy Properties

Formation Energy/atom
-0.30331
eV/atom
Energy/atom
-53.91652
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-53.9165
eV/atom
Volume/atom
27.04
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
1.6281
μB
Mag. Ordering
FiM
Mag. Sites
3
Magnetization/Volume
0.012040
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ac · 0.400
Element Family
N/A
Solute Fraction
0.600
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.441
Family
Ac-rich Multi-Component
Matrix Element
Ac · 0.400

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3253648
Reference Citation

The crystal structure and related material properties of Ac2URu2 were obtained from the Materials Project database (MP-ID: mp-3253648, 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_Ac2URu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42512550
_cell_length_b   6.42512736
_cell_length_c   6.42512752
_cell_angle_alpha   142.21683911
_cell_angle_beta   122.09350548
_cell_angle_gamma   71.23800613
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ac2URu2
_chemical_formula_sum   'Ac2 U1 Ru2'
_cell_volume   135.18405197
_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
  Ac  Ac0  1  0.68974197  0.18974297  0.50000000  1.0
  Ac  Ac1  1  0.31025703  0.81025703  0.50000000  1.0
  U  U2  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru3  1  0.77259631  0.50000000  0.27259631  1.0
  Ru  Ru4  1  0.22740269  0.50000000  0.72740269  1.0
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