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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105499

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-1105499
  • 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: 18
  • Number of elements: 3
  • Element list: ['Lu', 'Te', 'Au']
  • Chemical System: Au-Lu-Te
  • Density: 10.827895155904054
  • Atomic Density: 0.03850894020943073
  • Unit Cell Volume: 467.4239255120257
  • Molar Volume: 15.638292633473188
  • Full Formula: Lu10 Te4 Au4
  • Reduced Formula: Lu5(TeAu)2
  • Formula Anonymous: A2B2C5
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -88.32069421
  • Final energy per atom: -4.906705233888889
  • 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.