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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173362

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-1173362
  • 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: 6
  • Number of elements: 3
  • Element list: ['Pr', 'S', 'O']
  • Chemical System: O-Pr-S
  • Density: 5.489078426375397
  • Atomic Density: 0.052477606510172366
  • Unit Cell Volume: 114.33448282053314
  • Molar Volume: 11.475639154450873
  • Full Formula: Pr2 S2 O2
  • Reduced Formula: PrSO
  • Formula Anonymous: ABC
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -44.872347780000005
  • Final energy per atom: -7.478724630000001
  • 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.