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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223747

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-1223747
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 5
  • Element list: ['K', 'Mn', 'H', 'I', 'O']
  • Chemical System: H-I-K-Mn-O
  • Density: 3.774752496766574
  • Atomic Density: 0.06541413979724321
  • Unit Cell Volume: 764.3607353850304
  • Molar Volume: 9.206175879811532
  • Full Formula: K4 Mn2 H8 I8 O28
  • Reduced Formula: K2MnH4(I2O7)2
  • Formula Anonymous: AB2C4D4E14
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -264.6388663
  • Final energy per atom: -5.292777326
  • 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.