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  1. Third-Parties
  2. MatprojStructure
  3. mp-673846

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-673846
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 3
  • Element list: ['La', 'Cu', 'O']
  • Chemical System: Cu-La-O
  • Density: 6.983206971022394
  • Atomic Density: 0.07262210198797851
  • Unit Cell Volume: 578.3363308177511
  • Molar Volume: 8.292435216205769
  • Full Formula: La12 Cu6 O24
  • Reduced Formula: La2CuO4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -327.09225457
  • Final energy per atom: -7.787910823095238
  • 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.