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  1. Third-Parties
  2. MatprojStructure
  3. mp-510226

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-510226
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 82
  • Number of elements: 5
  • Element list: ['U', 'Cu', 'As', 'H', 'O']
  • Chemical System: As-Cu-H-O-U
  • Density: 3.750510539077473
  • Atomic Density: 0.09029489626748918
  • Unit Cell Volume: 908.1354914798682
  • Molar Volume: 6.669414340053105
  • Full Formula: U4 Cu2 As4 H32 O40
  • Reduced Formula: U2CuAs2(H4O5)4
  • Formula Anonymous: AB2C2D16E20
  • Spacegroup Number: 85
  • Spacegroup Symbol: P4/n1
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -525.28914057
  • Final energy per atom: -6.405965128902439
  • 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.