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  1. Third-Parties
  2. MatprojStructure
  3. mp-649957

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-649957
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['Cu', 'Mo', 'O']
  • Chemical System: Cu-Mo-O
  • Density: 4.394420684576827
  • Atomic Density: 0.07036744781122345
  • Unit Cell Volume: 795.8225250719996
  • Molar Volume: 8.558134403503947
  • Full Formula: Cu12 Mo8 O36
  • Reduced Formula: Cu3Mo2O9
  • Formula Anonymous: A2B3C9
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -396.81436855
  • Final energy per atom: -7.085970866964286
  • 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.