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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228537

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-1228537
  • 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: 54
  • Number of elements: 5
  • Element list: ['Ba', 'Ca', 'La', 'Fe', 'O']
  • Chemical System: Ba-Ca-Fe-La-O
  • Density: 5.522953559427977
  • Atomic Density: 0.06327336046310038
  • Unit Cell Volume: 853.439735218293
  • Molar Volume: 9.517655954929056
  • Full Formula: Ba9 Ca3 La4 Fe8 O30
  • Reduced Formula: Ba9Ca3La4(Fe4O15)2
  • Formula Anonymous: A3B4C8D9E30
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -407.60993365
  • Final energy per atom: -7.54833210462963
  • 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.