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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214104

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-1214104
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Ca', 'Pr', 'Be', 'O']
  • Chemical System: Be-Ca-O-Pr
  • Density: 4.6376358709212315
  • Atomic Density: 0.08106368511565665
  • Unit Cell Volume: 444.0952807491718
  • Molar Volume: 7.428900809786753
  • Full Formula: Ca8 Pr4 Be4 O20
  • Reduced Formula: Ca2PrBeO5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -262.68577135
  • Final energy per atom: -7.296826981944444
  • 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.