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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223375

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-1223375
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['La', 'Cu', 'S', 'O']
  • Chemical System: Cu-La-O-S
  • Density: 5.867289678321468
  • Atomic Density: 0.05697905699914053
  • Unit Cell Volume: 772.2135520892123
  • Molar Volume: 10.569042516956427
  • Full Formula: La10 Cu12 S14 O8
  • Reduced Formula: La5Cu6S7O4
  • Formula Anonymous: A4B5C6D7
  • Spacegroup Number: 46
  • Spacegroup Symbol: Ima2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -286.54989188
  • Final energy per atom: -6.5124975427272735
  • 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.