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  1. Third-Parties
  2. MatprojStructure
  3. mp-641710

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-641710
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 160
  • Number of elements: 4
  • Element list: ['Cu', 'Si', 'Sb', 'O']
  • Chemical System: Cu-O-Sb-Si
  • Density: 5.813317633829719
  • Atomic Density: 0.08961307835799864
  • Unit Cell Volume: 1785.453674081031
  • Molar Volume: 6.7201583411094585
  • Full Formula: Cu40 Si8 Sb16 O96
  • Reduced Formula: Cu5Si(SbO6)2
  • Formula Anonymous: AB2C5D12
  • Spacegroup Number: 54
  • Spacegroup Symbol: Pcca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -996.07889044
  • Final energy per atom: -6.22549306525
  • 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.