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  1. Third-Parties
  2. MatprojStructure
  3. mp-559590

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-559590
  • 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: 72
  • Number of elements: 4
  • Element list: ['Pr', 'Ge', 'B', 'O']
  • Chemical System: B-Ge-O-Pr
  • Density: 5.159670735625628
  • Atomic Density: 0.08167356434731061
  • Unit Cell Volume: 881.5581954257008
  • Molar Volume: 7.3734271402571645
  • Full Formula: Pr9 Ge9 B9 O45
  • Reduced Formula: PrGeBO5
  • Formula Anonymous: ABCD5
  • Spacegroup Number: 144
  • Spacegroup Symbol: P3_1
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -580.4770235
  • Final energy per atom: -8.062180881944444
  • 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.