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  1. Third-Parties
  2. MatprojStructure
  3. mp-1179675

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-1179675
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 3
  • Element list: ['U', 'P', 'O']
  • Chemical System: O-P-U
  • Density: 3.4981470096859173
  • Atomic Density: 0.06122168065010969
  • Unit Cell Volume: 947.3768015529982
  • Molar Volume: 9.836614571915073
  • Full Formula: U4 P12 O42
  • Reduced Formula: U2(P2O7)3
  • Formula Anonymous: A2B6C21
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -429.46579501
  • Final energy per atom: -7.404582672586208
  • 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.