Mn(BO4)4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1180660 · Space group: P-1 (#2)

Materials Project API

Basic Information

Formula

Mn(BO4)4

MP-ID

mp-1180660

Elements

Sites

Density

1.7517

g/cm³

Volume

671.49

Å³

Cell a

7.5229

Cell b

8.4842

Cell c

11.2658

α Angle

97.82

β Angle

97.90

γ Angle

106.42

Space Group

P-1

Point Group

-1

Crystal System

Triclinic

Bravais Lattice

Triclinic P

Stability

Packing Fraction

0.5240

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
8.06	10.9680	36.0	(0,0,1)
11.06	7.9990	72.4	(0,1,0)
12.44	7.1167	25.1	(0,1,-1)
12.48	7.0913	13.6	(1,0,0)
13.56	6.5319	28.6	(1,0,-1)
13.91	6.3648	89.9	(1,-1,0)
14.86	5.9613	22.3	(0,1,1)
15.96	5.5526	72.2	(1,-1,-1)
16.16	5.4840	73.1	(0,0,2)
16.24	5.4586	97.2	(1,-1,1)
18.53	4.7883	11.6	(1,0,-2)
19.11	4.6451	29.5	(1,1,0)
21.18	4.1956	5.8	(1,-1,-2)
21.26	4.1785	40.2	(0,1,2)
21.60	4.1147	100.0	(1,-1,2)
21.91	4.0575	2.7	(1,-2,0)
22.08	4.0265	24.6	(1,1,-2)
22.21	4.0021	68.9	(0,2,-1)
22.23	3.9995	20.4	(0,2,0)
22.25	3.9949	18.6	(1,0,2)
22.42	3.9647	1.3	(1,1,1)
22.74	3.9097	1.2	(1,-2,1)
23.99	3.7091	42.1	(1,-2,-1)
24.13	3.6882	11.9	(2,-1,0)

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Energy Properties

Formation Energy/atom

-0.76954

eV/atom

Energy/atom

-6.24797

eV/atom

Energy above Hull

0.8232

eV/atom

Uncorrected Energy

-6.1685

eV/atom

Volume/atom

15.99

Å³

c/a Ratio

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

10.0000

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.014890

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.762

Element Family

Metalloid-Nonmetal

Solute Fraction

0.238

Interstitial Fraction

0.190

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.6680

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

5.5539

J/mol·K

Ω Parameter

2.1489

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

25.383%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.6452

smaller = more stable mixing

VEC

3.952

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.451

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6081

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.482

Family

Interstitial Alloy

Matrix Element

O · 0.762

Related Tasks

Related computation task IDs (1)

aaaednmu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1180660

Reference Citation

The crystal structure and related material properties of Mn(BO4)4 were obtained from the Materials Project database (MP-ID: mp-1180660, 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…

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Raw CIF Data

# generated using pymatgen
data_Mn(BO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.52292800
_cell_length_b   8.48424428
_cell_length_c   11.26574672
_cell_angle_alpha   97.82101395
_cell_angle_beta   97.90203615
_cell_angle_gamma   106.42175438
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn(BO4)4
_chemical_formula_sum   'Mn2 B8 O32'
_cell_volume   671.48854530
_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
  Mn  Mn0  1  0.65791400  0.88893900  0.80967000  1.0
  Mn  Mn1  1  0.34208600  0.11106100  0.19033000  1.0
  B  B2  1  0.01684800  0.22149500  0.59904600  1.0
  B  B3  1  0.98315200  0.77850500  0.40095400  1.0
  B  B4  1  0.18545700  0.46652700  0.90164800  1.0
  B  B5  1  0.81454300  0.53347300  0.09835200  1.0
  B  B6  1  0.29817900  0.29779600  0.75690100  1.0
  B  B7  1  0.70182100  0.70220400  0.24309900  1.0
  B  B8  1  0.98936500  0.17953100  0.80716500  1.0
  B  B9  1  0.01063500  0.82046900  0.19283500  1.0
  O  O10  1  0.94075300  0.18942200  0.47787100  1.0
  O  O11  1  0.05924700  0.81057800  0.52212900  1.0
  O  O12  1  0.20895000  0.30412900  0.63604300  1.0
  O  O13  1  0.79105000  0.69587100  0.36395700  1.0
  O  O14  1  0.33290700  0.44654300  0.84539400  1.0
  O  O15  1  0.66709300  0.55345700  0.15460600  1.0
  O  O16  1  0.21760700  0.62128600  0.97098000  1.0
  O  O17  1  0.78239300  0.37871400  0.02902000  1.0
  O  O18  1  0.01801600  0.33995800  0.88473400  1.0
  O  O19  1  0.98198400  0.66004200  0.11526600  1.0
  O  O20  1  0.87966900  0.04362900  0.86023600  1.0
  O  O21  1  0.12033100  0.95637100  0.13976400  1.0
  O  O22  1  0.90065700  0.17371500  0.68058600  1.0
  O  O23  1  0.09934300  0.82628500  0.31941400  1.0
  O  O24  1  0.50671000  0.29539200  0.75825000  1.0
  O  O25  1  0.49329000  0.70460800  0.24175000  1.0
  O  O26  1  0.17819200  0.15231100  0.79951600  1.0
  O  O27  1  0.82180800  0.84768900  0.20048400  1.0
  O  O28  1  0.55225900  0.82461200  0.44374800  1.0
  O  O29  1  0.44774100  0.17538800  0.55625200  1.0
  O  O30  1  0.59081400  0.60946500  0.64252200  1.0
  O  O31  1  0.40918600  0.39053500  0.35747800  1.0
  O  O32  1  0.59921500  0.79328400  0.91686400  1.0
  O  O33  1  0.40078500  0.20671600  0.08313600  1.0
  O  O34  1  0.72869300  0.73482600  0.69904000  1.0
  O  O35  1  0.27130700  0.26517400  0.30096000  1.0
  O  O36  1  0.50769000  0.94988300  0.73044600  1.0
  O  O37  1  0.49231000  0.05011700  0.26955400  1.0
  O  O38  1  0.56580600  0.27019900  0.64342700  1.0
  O  O39  1  0.43419400  0.72980100  0.35657300  1.0
  O  O40  1  0.87157700  0.05131600  0.11708300  1.0
  O  O41  1  0.12842300  0.94868400  0.88291700  1.0

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