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  1. Third-Parties
  2. MatprojStructure
  3. mp-758407

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-758407
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 4
  • Element list: ['Li', 'Mn', 'C', 'O']
  • Chemical System: C-Li-Mn-O
  • Density: 3.20116807497856
  • Atomic Density: 0.10413376287828993
  • Unit Cell Volume: 653.0062692488837
  • Molar Volume: 5.783081868498877
  • Full Formula: Li12 Mn8 C8 O40
  • Reduced Formula: Li3Mn2(CO5)2
  • Formula Anonymous: A2B2C3D10
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -497.03130737
  • Final energy per atom: -7.309283931911764
  • 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.