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  1. Third-Parties
  2. MatprojStructure
  3. mp-1190456

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-1190456
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Mn', 'B', 'H']
  • Chemical System: B-H-Mn
  • Density: 1.5055221054222898
  • Atomic Density: 0.11785266483639094
  • Unit Cell Volume: 186.6737593973078
  • Molar Volume: 5.109889342222547
  • Full Formula: Mn2 B4 H16
  • Reduced Formula: Mn(BH4)2
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 118
  • Spacegroup Symbol: P-4n2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -102.42412331
  • Final energy per atom: -4.655641968636363
  • 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.