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  1. Third-Parties
  2. MatprojStructure
  3. mp-728301

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-728301
  • 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: 34
  • Number of elements: 4
  • Element list: ['K', 'Mn', 'C', 'O']
  • Chemical System: C-K-Mn-O
  • Density: 2.1693841109747445
  • Atomic Density: 0.06509739413165314
  • Unit Cell Volume: 522.2943322621842
  • Molar Volume: 9.250970550097302
  • Full Formula: K4 Mn2 C8 O20
  • Reduced Formula: K2Mn(C2O5)2
  • Formula Anonymous: AB2C4D10
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -247.39044235
  • Final energy per atom: -7.276189480882353
  • 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.