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  1. Third-Parties
  2. MatprojStructure
  3. mp-13590

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-13590
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Li', 'B', 'C', 'N']
  • Chemical System: B-C-Li-N
  • Density: 1.1825348451798459
  • Atomic Density: 0.058457541960857846
  • Unit Cell Volume: 171.06432574082274
  • Molar Volume: 10.301734486257256
  • Full Formula: Li1 B1 C4 N4
  • Reduced Formula: LiB(CN)4
  • Formula Anonymous: ABC4D4
  • Spacegroup Number: 215
  • Spacegroup Symbol: P-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -80.45262299000001
  • Final energy per atom: -8.045262299000001
  • 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.