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  1. Third-Parties
  2. MatprojStructure
  3. mp-20212

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-20212
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Ba', 'Pr', 'Cu', 'O']
  • Chemical System: Ba-Cu-O-Pr
  • Density: 6.80615936619933
  • Atomic Density: 0.065558643129949
  • Unit Cell Volume: 274.5633396396074
  • Molar Volume: 9.185883771363354
  • Full Formula: Ba2 Pr4 Cu2 O10
  • Reduced Formula: BaPr2CuO5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -133.55781365
  • Final energy per atom: -7.419878536111112
  • 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.