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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223767

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-1223767
  • 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: 25
  • Number of elements: 5
  • Element list: ['K', 'Mg', 'H', 'I', 'O']
  • Chemical System: H-I-K-Mg-O
  • Density: 3.634640828253794
  • Atomic Density: 0.06528815150216957
  • Unit Cell Volume: 382.91787138695804
  • Molar Volume: 9.223941284047351
  • Full Formula: K2 Mg1 H4 I4 O14
  • Reduced Formula: K2MgH4(I2O7)2
  • Formula Anonymous: AB2C4D4E14
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -126.89829189
  • Final energy per atom: -5.0759316756
  • 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.