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  1. Third-Parties
  2. MatprojStructure
  3. mp-28018

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-28018
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 3
  • Element list: ['Be', 'H', 'N']
  • Chemical System: Be-H-N
  • Density: 1.2561841672296468
  • Atomic Density: 0.12897674951067728
  • Unit Cell Volume: 868.3735667468354
  • Molar Volume: 4.669167724297052
  • Full Formula: Be16 H64 N32
  • Reduced Formula: Be(H2N)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 142
  • Spacegroup Symbol: I4_1/acd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -619.18732156
  • Final energy per atom: -5.528458228214285
  • 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.