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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219823

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-1219823
  • 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: 32
  • Number of elements: 3
  • Element list: ['Pr', 'U', 'S']
  • Chemical System: Pr-S-U
  • Density: 7.29939333511667
  • Atomic Density: 0.04524226228258723
  • Unit Cell Volume: 707.303268791581
  • Molar Volume: 13.310874514596927
  • Full Formula: Pr4 U8 S20
  • Reduced Formula: PrU2S5
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -254.02348048
  • Final energy per atom: -7.938233765
  • 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.