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  1. Third-Parties
  2. MatprojStructure
  3. mp-567129

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-567129
  • 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: 30
  • Number of elements: 5
  • Element list: ['K', 'La', 'Si', 'C', 'N']
  • Chemical System: C-K-La-N-Si
  • Density: 2.3830216347210986
  • Atomic Density: 0.0587853085159304
  • Unit Cell Volume: 510.3315906196225
  • Molar Volume: 10.244295576620207
  • Full Formula: K2 La2 Si2 C8 N16
  • Reduced Formula: KLaSi(CN2)4
  • Formula Anonymous: ABCD4E8
  • Spacegroup Number: 18
  • Spacegroup Symbol: P2_12_12
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -251.68638991
  • Final energy per atom: -8.389546330333333
  • 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.