Yb3(LuPb2)2

高熵材料 HEA 传统材料 TRA

MP-ID: mp-3293641 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Yb3(LuPb2)2

MP-ID

mp-3293641

Elements

Sites

Density

10.8683

g/cm³

Volume

1,037.65

Å³

Cell a

7.7713

Cell b

8.4391

Cell c

15.8220

α Angle

90.06

β Angle

90.01

γ Angle

90.16

Space Group

Point Group

Crystal System

Triclinic

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
11.18	7.9110	7.7	(0,0,2)
11.88	7.4491	2.0	(0,1,-1)
11.89	7.4431	1.9	(0,1,1)
15.48	5.7248	8.6	(1,-1,0)
15.52	5.7086	8.6	(1,1,0)
19.13	4.6391	5.8	(1,-1,2)
19.14	4.6366	5.3	(1,-1,-2)
19.17	4.6309	5.5	(1,1,-2)
19.18	4.6275	6.3	(1,1,2)
21.05	4.2195	2.7	(0,2,0)
22.48	3.9555	10.7	(0,0,4)
22.89	3.8856	10.4	(2,0,0)
22.92	3.8800	5.1	(1,-1,3)
22.93	3.8778	5.7	(1,-1,-3)
22.95	3.8753	5.5	(1,1,-3)
22.97	3.8724	5.1	(1,1,3)
23.89	3.7246	1.4	(0,2,-2)
23.91	3.7216	1.3	(0,2,2)
28.53	3.1285	1.8	(2,0,-3)
28.54	3.1281	1.6	(2,0,3)
29.41	3.0370	59.2	(1,-2,3)
29.43	3.0347	60.4	(1,-2,-3)
29.46	3.0323	64.5	(1,2,-3)
29.48	3.0297	61.3	(1,2,3)

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Energy Properties

Formation Energy/atom

-0.54168

eV/atom

Energy/atom

-46.19595

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-46.1960

eV/atom

Volume/atom

28.82

Å³

c/a Ratio

2.0360

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.4779

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.002390

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pb · 0.444

Element Family

N/A

Solute Fraction

0.556

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.567

Family

Pb-rich Multi-Component

Matrix Element

Pb · 0.444

Related Tasks

Related computation task IDs (1)

aaahfkgn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293641

Reference Citation

The crystal structure and related material properties of Yb3(LuPb2)2 were obtained from the Materials Project database (MP-ID: mp-3293641, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_Yb3(LuPb2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.77129432
_cell_length_b   8.43911723
_cell_length_c   15.82200108
_cell_angle_alpha   90.05576293
_cell_angle_beta   90.00714664
_cell_angle_gamma   90.16258817
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb3(LuPb2)2
_chemical_formula_sum   'Yb12 Lu8 Pb16'
_cell_volume   1037.64746271
_cell_formula_units_Z   4
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
  Yb  Yb0  1  0.17975648  0.34050770  0.62048291  1.0
  Yb  Yb1  1  0.49945250  0.69242722  0.59198938  1.0
  Yb  Yb2  1  0.00032905  0.80810441  0.91018425  1.0
  Yb  Yb3  1  0.49710795  0.30673662  0.09144051  1.0
  Yb  Yb4  1  0.00016305  0.19382371  0.40767018  1.0
  Yb  Yb5  1  0.49805367  0.30747349  0.40878226  1.0
  Yb  Yb6  1  0.99940419  0.19173308  0.09183673  1.0
  Yb  Yb7  1  0.49833010  0.69153154  0.90828946  1.0
  Yb  Yb8  1  0.00226898  0.80872019  0.59018921  1.0
  Yb  Yb9  1  0.33436771  0.99207660  0.74968318  1.0
  Yb  Yb10  1  0.16502598  0.49024719  0.24907476  1.0
  Yb  Yb11  1  0.66638397  0.00906642  0.25072290  1.0
  Lu  Lu12  1  0.67505922  0.15875232  0.62212066  1.0
  Lu  Lu13  1  0.17467503  0.33935358  0.87901374  1.0
  Lu  Lu14  1  0.32437743  0.83939822  0.12168504  1.0
  Lu  Lu15  1  0.82630016  0.65882678  0.37782350  1.0
  Lu  Lu16  1  0.32344207  0.84050254  0.37752351  1.0
  Lu  Lu17  1  0.82424329  0.65959112  0.12164200  1.0
  Lu  Lu18  1  0.67573013  0.15696834  0.87930475  1.0
  Lu  Lu19  1  0.83673013  0.50739280  0.74844201  1.0
  Pb  Pb20  1  0.68387678  0.96181524  0.45752775  1.0
  Pb  Pb21  1  0.17920238  0.53660551  0.04250537  1.0
  Pb  Pb22  1  0.32004732  0.03654705  0.95724815  1.0
  Pb  Pb23  1  0.81563166  0.46558063  0.54426463  1.0
  Pb  Pb24  1  0.32773427  0.03591405  0.54232892  1.0
  Pb  Pb25  1  0.81856555  0.46440262  0.95469618  1.0
  Pb  Pb26  1  0.68010385  0.96238378  0.04324475  1.0
  Pb  Pb27  1  0.17705689  0.53869470  0.45489851  1.0
  Pb  Pb28  1  0.48000295  0.37455872  0.75485479  1.0
  Pb  Pb29  1  0.97440173  0.13265523  0.74960442  1.0
  Pb  Pb30  1  0.52425958  0.63466153  0.25010181  1.0
  Pb  Pb31  1  0.02449495  0.86625316  0.24833424  1.0
  Pb  Pb32  1  0.71657162  0.86008845  0.75149672  1.0
  Pb  Pb33  1  0.20864610  0.63628962  0.75256847  1.0
  Pb  Pb34  1  0.28562278  0.13398804  0.24937907  1.0
  Pb  Pb35  1  0.78258148  0.36632982  0.24904430  1.0

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