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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223628

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-1223628
  • 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: 14
  • Number of elements: 3
  • Element list: ['La', 'Cd', 'As']
  • Chemical System: As-Cd-La
  • Density: 6.137526908219947
  • Atomic Density: 0.03691341842456056
  • Unit Cell Volume: 379.2658766787369
  • Molar Volume: 16.31423210588682
  • Full Formula: La2 Cd6 As6
  • Reduced Formula: La(CdAs)3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 40
  • Spacegroup Symbol: Ama2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -50.84462778
  • Final energy per atom: -3.6317591271428573
  • 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.