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  1. Third-Parties
  2. MatprojStructure
  3. mp-18863

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-18863
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Pr', 'Cr', 'O']
  • Chemical System: Cr-O-Pr
  • Density: 4.70336375453851
  • Atomic Density: 0.0661522064833866
  • Unit Cell Volume: 181.39984496229417
  • Molar Volume: 9.103461668375937
  • Full Formula: Pr2 Cr2 O8
  • Reduced Formula: PrCrO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -101.19464383
  • Final energy per atom: -8.432886985833333
  • 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.