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  1. Third-Parties
  2. MatprojStructure
  3. mp-729028

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-729028
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 192
  • Number of elements: 5
  • Element list: ['K', 'Cr', 'H', 'S', 'O']
  • Chemical System: Cr-H-K-O-S
  • Density: 1.8543307927882269
  • Atomic Density: 0.10733175681905148
  • Unit Cell Volume: 1788.8461503866845
  • Molar Volume: 5.610772560214971
  • Full Formula: K4 Cr4 H96 S8 O80
  • Reduced Formula: KCrH24(SO10)2
  • Formula Anonymous: ABC2D20E24
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -1081.07011047
  • Final energy per atom: -5.63057349203125
  • 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.