Ho3Tm(P3Rh4)2
MP-ID: mp-3293520 · Space group: Pmmn (#59)
Basic Information
Formula
Ho3Tm(P3Rh4)2
MP-ID
mp-3293520
Elements
4
Sites
36
Density
9.8023
g/cm³
Volume
566.76
ų
Cell a
3.9410
Å
Cell b
11.2103
Å
Cell c
12.8284
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pmmn
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 6.89 | 12.8284 | 3.0 | (0,0,1) |
| 23.62 | 3.7673 | 3.3 | (1,0,1) |
| 24.82 | 3.5877 | 1.2 | (0,3,1) |
| 24.93 | 3.5710 | 3.2 | (1,1,1) |
| 26.55 | 3.3579 | 4.4 | (1,0,2) |
| 27.63 | 3.2288 | 16.5 | (0,3,2) |
| 27.82 | 3.2071 | 5.7 | (0,0,4) |
| 28.55 | 3.1267 | 2.4 | (1,2,1) |
| 30.86 | 2.8980 | 1.6 | (1,0,3) |
| 31.05 | 2.8805 | 2.4 | (1,2,2) |
| 31.80 | 2.8138 | 2.9 | (0,3,3) |
| 31.93 | 2.8026 | 2.3 | (0,4,0) |
| 32.71 | 2.7380 | 1.5 | (0,4,1) |
| 33.03 | 2.7116 | 1.7 | (1,3,0) |
| 33.79 | 2.6530 | 3.0 | (1,3,1) |
| 34.85 | 2.5743 | 4.0 | (1,2,3) |
| 34.94 | 2.5681 | 4.0 | (0,4,2) |
| 34.97 | 2.5657 | 2.2 | (0,0,5) |
| 35.91 | 2.5010 | 4.1 | (0,1,5) |
| 35.96 | 2.4976 | 100.0 | (1,3,2) |
| 36.11 | 2.4875 | 42.5 | (1,0,4) |
| 36.94 | 2.4337 | 6.7 | (0,3,4) |
| 37.02 | 2.4285 | 10.5 | (1,1,4) |
| 38.40 | 2.3440 | 3.7 | (0,4,3) |
Energy Properties
Formation Energy/atom
-1.27056
eV/atom
Energy/atom
-22.42986
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-22.4299
eV/atom
Volume/atom
15.74
ų
c/a Ratio
3.2551
Electronic Properties
Metallic
Non-metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293520
Reference Citation
The crystal structure and related material properties of Ho3Tm(P3Rh4)2 were obtained from the Materials Project database (MP-ID: mp-3293520, 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
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Raw CIF Data
# generated using pymatgen
data_Ho3Tm(P3Rh4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94102457
_cell_length_b 11.21025914
_cell_length_c 12.82837026
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho3Tm(P3Rh4)2
_chemical_formula_sum 'Ho6 Tm2 P12 Rh16'
_cell_volume 566.75620118
_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
Ho Ho0 1 0.00000000 0.50000000 0.52408700 1.0
Ho Ho1 1 0.50000000 0.00000000 0.47591300 1.0
Ho Ho2 1 0.50000000 0.82147056 0.20421229 1.0
Ho Ho3 1 0.50000000 0.17852944 0.20421229 1.0
Ho Ho4 1 0.00000000 0.67852944 0.79578771 1.0
Ho Ho5 1 0.00000000 0.32147056 0.79578771 1.0
Tm Tm6 1 0.50000000 0.50000000 0.15983529 1.0
Tm Tm7 1 0.00000000 0.00000000 0.84016471 1.0
P P8 1 0.50000000 0.31301858 0.61712455 1.0
P P9 1 0.50000000 0.68698142 0.61712455 1.0
P P10 1 0.00000000 0.18698142 0.38287545 1.0
P P11 1 0.00000000 0.81301858 0.38287545 1.0
P P12 1 0.50000000 0.50000000 0.88038982 1.0
P P13 1 0.00000000 0.00000000 0.11961018 1.0
P P14 1 0.50000000 0.83818320 0.88832839 1.0
P P15 1 0.50000000 0.16181680 0.88832839 1.0
P P16 1 0.00000000 0.66181680 0.11167161 1.0
P P17 1 0.00000000 0.33818320 0.11167161 1.0
P P18 1 0.50000000 0.50000000 0.36569141 1.0
P P19 1 0.00000000 0.00000000 0.63430859 1.0
Rh Rh20 1 0.00000000 0.50000000 0.98461647 1.0
Rh Rh21 1 0.50000000 0.00000000 0.01538353 1.0
Rh Rh22 1 0.50000000 0.29231298 0.43332655 1.0
Rh Rh23 1 0.50000000 0.70768702 0.43332655 1.0
Rh Rh24 1 0.00000000 0.20768702 0.56667345 1.0
Rh Rh25 1 0.00000000 0.79231298 0.56667345 1.0
Rh Rh26 1 0.50000000 0.87186126 0.70469779 1.0
Rh Rh27 1 0.50000000 0.12813874 0.70469779 1.0
Rh Rh28 1 0.00000000 0.62813874 0.29530221 1.0
Rh Rh29 1 0.00000000 0.37186126 0.29530221 1.0
Rh Rh30 1 0.50000000 0.33124824 0.98902119 1.0
Rh Rh31 1 0.50000000 0.66875176 0.98902119 1.0
Rh Rh32 1 0.00000000 0.16875176 0.01097881 1.0
Rh Rh33 1 0.00000000 0.83124824 0.01097881 1.0
Rh Rh34 1 0.50000000 0.50000000 0.70186898 1.0
Rh Rh35 1 0.00000000 0.00000000 0.29813102 1.0
