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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195649

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-1195649
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 3
  • Element list: ['Mn', 'B', 'H']
  • Chemical System: B-H-Mn
  • Density: 1.6995964609622114
  • Atomic Density: 0.13304485623259063
  • Unit Cell Volume: 330.71552892716625
  • Molar Volume: 4.5263987879937435
  • Full Formula: Mn4 B8 H32
  • Reduced Formula: Mn(BH4)2
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 70
  • Spacegroup Symbol: Fddd1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -203.63327965
  • Final energy per atom: -4.628029082954545
  • 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.