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  1. Third-Parties
  2. MatprojStructure
  3. mp-556252

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-556252
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Na', 'Cu', 'Mo', 'O']
  • Chemical System: Cu-Mo-Na-O
  • Density: 3.4928278584638734
  • Atomic Density: 0.06621661936144388
  • Unit Cell Volume: 1208.15590967155
  • Molar Volume: 9.094606185084901
  • Full Formula: Na16 Cu4 Mo12 O48
  • Reduced Formula: Na4Cu(MoO4)3
  • Formula Anonymous: AB3C4D12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -564.20692914
  • Final energy per atom: -7.052586614250001
  • 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.