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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228512

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-1228512
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 5
  • Element list: ['Ba', 'Fe', 'P', 'Pb', 'O']
  • Chemical System: Ba-Fe-O-P-Pb
  • Density: 4.115119828983285
  • Atomic Density: 0.07088189873981822
  • Unit Cell Volume: 620.7508656266117
  • Molar Volume: 8.496020658398413
  • Full Formula: Ba3 Fe4 P8 Pb1 O28
  • Reduced Formula: Ba3Fe4P8PbO28
  • Formula Anonymous: AB3C4D8E28
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -344.60963411
  • Final energy per atom: -7.832037138863637
  • 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.