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  1. Third-Parties
  2. MatprojStructure
  3. mp-771029

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-771029
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 5
  • Element list: ['Li', 'Fe', 'B', 'As', 'O']
  • Chemical System: As-B-Fe-Li-O
  • Density: 3.1677742554341477
  • Atomic Density: 0.09037952833687873
  • Unit Cell Volume: 287.67576550176443
  • Molar Volume: 6.6631690503552985
  • Full Formula: Li6 Fe2 B2 As2 O14
  • Reduced Formula: Li3FeBAsO7
  • Formula Anonymous: ABCD3E7
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -177.0175209
  • Final energy per atom: -6.808366188461538
  • 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.