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  1. Third-Parties
  2. MatprojStructure
  3. mp-555912

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-555912
  • 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: 96
  • Number of elements: 4
  • Element list: ['Pr', 'Cu', 'Mo', 'O']
  • Chemical System: Cu-Mo-O-Pr
  • Density: 4.359150941684885
  • Atomic Density: 0.06008005222062801
  • Unit Cell Volume: 1597.8681184807485
  • Molar Volume: 10.023527838966068
  • Full Formula: Pr8 Cu8 Mo16 O64
  • Reduced Formula: PrCu(MoO4)2
  • Formula Anonymous: ABC2D8
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -778.9552427599999
  • Final energy per atom: -8.114117112083333
  • 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.