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  1. Third-Parties
  2. MatprojStructure
  3. mp-645095

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-645095
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 152
  • Number of elements: 4
  • Element list: ['U', 'Ag', 'As', 'O']
  • Chemical System: Ag-As-O-U
  • Density: 5.6554304118959235
  • Atomic Density: 0.06613900674151074
  • Unit Cell Volume: 2298.1899409838043
  • Molar Volume: 9.105278498566161
  • Full Formula: U8 Ag24 As24 O96
  • Reduced Formula: UAg3(AsO4)3
  • Formula Anonymous: AB3C3D12
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1011.3789702
  • Final energy per atom: -6.653809014473684
  • 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.