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  1. Third-Parties
  2. MatprojStructure
  3. mp-35687

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-35687
  • 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: 10
  • Number of elements: 3
  • Element list: ['Be', 'C', 'N']
  • Chemical System: Be-C-N
  • Density: 1.3109508105520853
  • Atomic Density: 0.06466110243835642
  • Unit Cell Volume: 154.6524822946428
  • Molar Volume: 9.313390172617467
  • Full Formula: Be2 C4 N4
  • Reduced Formula: Be(CN)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 102
  • Spacegroup Symbol: P4_2nm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -80.01103139
  • Final energy per atom: -8.001103139
  • 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.