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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194910

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-1194910
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 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: 1.56691213722985
  • Atomic Density: 0.12265829260954302
  • Unit Cell Volume: 358.72014083927274
  • Molar Volume: 4.909689049048011
  • Full Formula: Mn4 B8 H32
  • Reduced Formula: Mn(BH4)2
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 142
  • Spacegroup Symbol: I4_1/acd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -204.75159065
  • Final energy per atom: -4.653445242045454
  • 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.