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  1. Third-Parties
  2. MatprojStructure
  3. mp-1234547

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-1234547
  • 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: 31
  • Number of elements: 4
  • Element list: ['Mg', 'Zr', 'U', 'O']
  • Chemical System: Mg-O-U-Zr
  • Density: 9.145854216876359
  • Atomic Density: 0.07474961285295753
  • Unit Cell Volume: 414.71786698054393
  • Molar Volume: 8.056417324657392
  • Full Formula: Mg1 Zr3 U7 O20
  • Reduced Formula: MgZr3U7O20
  • Formula Anonymous: AB3C7D20
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -314.13818598
  • Final energy per atom: -10.133489870322581
  • 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.