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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195983

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-1195983
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 5
  • Element list: ['K', 'Zn', 'Cr', 'H', 'O']
  • Chemical System: Cr-H-K-O-Zn
  • Density: 2.771960615712618
  • Atomic Density: 0.07705331620973359
  • Unit Cell Volume: 493.16501701973124
  • Molar Volume: 7.815550395791097
  • Full Formula: K4 Zn2 Cr4 H8 O20
  • Reduced Formula: K2ZnCr2(H2O5)2
  • Formula Anonymous: AB2C2D4E10
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -236.66296546
  • Final energy per atom: -6.227972775263158
  • 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.