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  1. Third-Parties
  2. MatprojStructure
  3. mp-1181060

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-1181060
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 82
  • Number of elements: 4
  • Element list: ['K', 'Mo', 'I', 'O']
  • Chemical System: I-K-Mo-O
  • Density: 3.2581888188506682
  • Atomic Density: 0.05906469686084088
  • Unit Cell Volume: 1388.308149505884
  • Molar Volume: 10.195837920218974
  • Full Formula: K10 Mo12 I2 O58
  • Reduced Formula: K5Mo6IO29
  • Formula Anonymous: AB5C6D29
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -550.81082293
  • Final energy per atom: -6.717205157682926
  • 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.