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  1. Third-Parties
  2. MatprojStructure
  3. mp-1078108

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-1078108
  • 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: 7
  • Number of elements: 3
  • Element list: ['Mn', 'B', 'Mo']
  • Chemical System: B-Mn-Mo
  • Density: 6.883262902680868
  • Atomic Density: 0.11650355009366896
  • Unit Cell Volume: 60.08400597554318
  • Molar Volume: 5.169062020134317
  • Full Formula: Mn2 B4 Mo1
  • Reduced Formula: Mn2B4Mo
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -59.12761888
  • Final energy per atom: -8.446802697142857
  • 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.