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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195334

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-1195334
  • 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: 92
  • Number of elements: 7
  • Element list: ['K', 'Cr', 'H', 'C', 'S', 'N', 'O']
  • Chemical System: C-Cr-H-K-N-O-S
  • Density: 1.6789370483172987
  • Atomic Density: 0.05596019311274628
  • Unit Cell Volume: 1644.0257776566675
  • Molar Volume: 10.76147244143143
  • Full Formula: K8 Cr4 H20 C16 S16 N16 O12
  • Reduced Formula: K2CrH5C4S4N4O3
  • Formula Anonymous: AB2C3D4E4F4G5
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -594.6136031899999
  • Final energy per atom: -6.463191339021739
  • 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.