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  1. Third-Parties
  2. MatprojStructure
  3. mp-756303

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-756303
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['Li', 'Y', 'Mn', 'O']
  • Chemical System: Li-Mn-O-Y
  • Density: 4.052551409756929
  • Atomic Density: 0.08179062832814478
  • Unit Cell Volume: 782.4857359358017
  • Molar Volume: 7.362873819527481
  • Full Formula: Li16 Y12 Mn4 O32
  • Reduced Formula: Li4Y3MnO8
  • Formula Anonymous: AB3C4D8
  • Spacegroup Number: 21
  • Spacegroup Symbol: C222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -490.40177769
  • Final energy per atom: -7.66252777640625
  • 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.