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  1. Third-Parties
  2. MatprojStructure
  3. mp-1186387

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-1186387
  • 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: 9
  • Number of elements: 3
  • Element list: ['Pa', 'Cr', 'O']
  • Chemical System: Cr-O-Pa
  • Density: 6.7145196932684215
  • Atomic Density: 0.05632936630061255
  • Unit Cell Volume: 159.77456504605007
  • Molar Volume: 10.690943561945438
  • Full Formula: Pa2 Cr2 O5
  • Reduced Formula: Pa2Cr2O5
  • Formula Anonymous: A2B2C5
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -86.03924613999999
  • Final energy per atom: -9.559916237777777
  • 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.