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  1. Third-Parties
  2. MatprojStructure
  3. mp-669435

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-669435
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['K', 'La', 'C', 'O']
  • Chemical System: C-K-La-O
  • Density: 2.865818762691946
  • Atomic Density: 0.04756016039427118
  • Unit Cell Volume: 588.728039768611
  • Molar Volume: 12.66215401730519
  • Full Formula: K4 La4 C4 O16
  • Reduced Formula: KLaCO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 54
  • Spacegroup Symbol: Pcca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -193.52216599
  • Final energy per atom: -6.911505928214285
  • 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.