YbPm3

Traditional Materials TRA

MP-ID: mp-981563 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

YbPm3

MP-ID

mp-981563

Elements

Sites

Density

7.4757

g/cm³

Volume

270.12

Å³

Cell a

7.3708

Cell b

7.3708

Cell c

5.7412

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 17)

2θ	d (Å)	I	hkl
27.96	3.1916	23.8	(2,0,-2,0)
31.16	2.8706	24.0	(0,0,0,2)
32.09	2.7896	100.0	(2,0,-2,1)
42.35	2.1343	15.6	(2,0,-2,2)
49.46	1.8427	19.9	(4,-2,-2,0)
56.03	1.6413	20.6	(2,0,-2,3)
57.77	1.5958	3.1	(4,0,-4,0)
59.62	1.5507	22.8	(4,-2,-2,2)
60.19	1.5375	16.6	(4,0,-4,1)
64.97	1.4353	2.9	(0,0,0,4)
67.11	1.3948	4.0	(4,0,-4,2)
72.16	1.3090	3.2	(2,0,-2,4)
77.95	1.2256	7.8	(4,0,-4,3)
79.44	1.2063	2.5	(6,-2,-4,0)
81.54	1.1806	14.0	(6,-2,-4,1)
85.82	1.1323	8.3	(4,-2,-2,4)
87.77	1.1121	4.0	(6,-2,-4,2)

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Energy Properties

Formation Energy/atom

0.01425

eV/atom

Energy/atom

-31.27356

eV/atom

Energy above Hull

0.0143

eV/atom

Uncorrected Energy

-31.2736

eV/atom

Volume/atom

33.77

Å³

c/a Ratio

0.7789

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0007

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pm · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.632

Family

Binary Alloy

Matrix Element

Pm · 0.750

Related Tasks

Related computation task IDs (3)

aaacfnxm aaadvdxy aaahbaif

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-981563

Reference Citation

The crystal structure and related material properties of YbPm3 were obtained from the Materials Project database (MP-ID: mp-981563, 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_YbPm3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.37078703
_cell_length_b   7.37078703
_cell_length_c   5.74120723
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000014
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbPm3
_chemical_formula_sum   'Yb2 Pm6'
_cell_volume   270.12301002
_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
  Yb  Yb0  1  0.33333300  0.66666700  0.75000000  1.0
  Yb  Yb1  1  0.66666700  0.33333300  0.25000000  1.0
  Pm  Pm2  1  0.16856721  0.33713542  0.25000000  1.0
  Pm  Pm3  1  0.66286458  0.83143279  0.25000000  1.0
  Pm  Pm4  1  0.16856721  0.83143279  0.25000000  1.0
  Pm  Pm5  1  0.83143279  0.66286458  0.75000000  1.0
  Pm  Pm6  1  0.33713542  0.16856721  0.75000000  1.0
  Pm  Pm7  1  0.83143279  0.16856721  0.75000000  1.0

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