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  1. Third-Parties
  2. MatprojStructure
  3. mp-818429

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-818429
  • 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: 38
  • Number of elements: 5
  • Element list: ['La', 'Cr', 'C', 'N', 'O']
  • Chemical System: C-Cr-La-N-O
  • Density: 1.8268157749297271
  • Atomic Density: 0.04895176563229181
  • Unit Cell Volume: 776.2743490284382
  • Molar Volume: 12.30219315322796
  • Full Formula: La2 Cr2 C12 N12 O10
  • Reduced Formula: LaCrC6N6O5
  • Formula Anonymous: ABC5D6E6
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -280.29402537
  • Final energy per atom: -7.3761585623684205
  • 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.