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  1. Third-Parties
  2. MatprojStructure
  3. mp-558443

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-558443
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 4
  • Element list: ['Na', 'U', 'Mo', 'O']
  • Chemical System: Mo-Na-O-U
  • Density: 4.069006499014638
  • Atomic Density: 0.06317201171045526
  • Unit Cell Volume: 791.4897538671349
  • Molar Volume: 9.532925415771281
  • Full Formula: Na8 U2 Mo8 O32
  • Reduced Formula: Na4U(MoO4)4
  • Formula Anonymous: AB4C4D16
  • Spacegroup Number: 88
  • Spacegroup Symbol: I4_1/a
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -393.34184125
  • Final energy per atom: -7.866836825
  • 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.