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  1. Third-Parties
  2. MatprojStructure
  3. mp-13588

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-13588
  • 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: 20
  • Number of elements: 4
  • Element list: ['Cs', 'B', 'C', 'N']
  • Chemical System: B-C-Cs-N
  • Density: 1.8589130141276764
  • Atomic Density: 0.04517863596317046
  • Unit Cell Volume: 442.6871146863301
  • Molar Volume: 13.329620586396716
  • Full Formula: Cs2 B2 C8 N8
  • Reduced Formula: CsB(CN)4
  • Formula Anonymous: ABC4D4
  • Spacegroup Number: 88
  • Spacegroup Symbol: I4_1/a
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -158.78472445
  • Final energy per atom: -7.9392362225
  • 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.