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  1. Third-Parties
  2. MatprojStructure
  3. mp-650228

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-650228
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['K', 'In', 'Mo', 'O']
  • Chemical System: In-K-Mo-O
  • Density: 3.9255153007702477
  • Atomic Density: 0.0598744528889395
  • Unit Cell Volume: 801.677471509171
  • Molar Volume: 10.057947036560662
  • Full Formula: K4 In4 Mo8 O32
  • Reduced Formula: KIn(MoO4)2
  • Formula Anonymous: ABC2D8
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -359.57770006000004
  • Final energy per atom: -7.4912020845833345
  • 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.