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  1. Third-Parties
  2. MatprojStructure
  3. mp-709325

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-709325
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 4
  • Element list: ['Cu', 'Si', 'H', 'O']
  • Chemical System: Cu-H-O-Si
  • Density: 3.6516962298153386
  • Atomic Density: 0.08379712133470821
  • Unit Cell Volume: 1193.3584162225948
  • Molar Volume: 7.186572359623134
  • Full Formula: Cu20 Si16 H8 O56
  • Reduced Formula: Cu5Si4(HO7)2
  • Formula Anonymous: A2B4C5D14
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -670.76915983
  • Final energy per atom: -6.7076915983
  • 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.