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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191586

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-1191586
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Zn', 'B', 'H']
  • Chemical System: B-H-Zn
  • Density: 1.0510606790070132
  • Atomic Density: 0.07321766695195134
  • Unit Cell Volume: 300.473928163231
  • Molar Volume: 8.22498313685957
  • Full Formula: Zn2 B4 H16
  • Reduced Formula: Zn(BH4)2
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 98
  • Spacegroup Symbol: I4_122
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -87.31897497
  • Final energy per atom: -3.9690443168181817
  • 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.