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  1. Third-Parties
  2. MatprojStructure
  3. mp-25296

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-25296
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 3
  • Element list: ['Mn', 'B', 'O']
  • Chemical System: B-Mn-O
  • Density: 3.015730413818371
  • Atomic Density: 0.07983117768040618
  • Unit Cell Volume: 187.8965140668545
  • Molar Volume: 7.5435950401594525
  • Full Formula: Mn3 B3 O9
  • Reduced Formula: MnBO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 174
  • Spacegroup Symbol: P-6
  • Crystal System: hexagonal
  • Pointgroup: -6

Thermodynamics:

  • Final energy: -125.10547562
  • Final energy per atom: -8.340365041333333
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.