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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196034

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-1196034
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 128
  • Number of elements: 4
  • Element list: ['Pr', 'Si', 'B', 'O']
  • Chemical System: B-O-Pr-Si
  • Density: 5.145522730255607
  • Atomic Density: 0.07631118917729449
  • Unit Cell Volume: 1677.3424890892006
  • Molar Volume: 7.891556696893696
  • Full Formula: Pr24 Si16 B8 O80
  • Reduced Formula: Pr3Si2BO10
  • Formula Anonymous: AB2C3D10
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1107.23552286
  • Final energy per atom: -8.65027752234375
  • 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.