Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1224192

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-1224192
  • 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: 61
  • Number of elements: 3
  • Element list: ['K', 'Cr', 'O']
  • Chemical System: Cr-K-O
  • Density: 3.847629380399479
  • Atomic Density: 0.08222408096365087
  • Unit Cell Volume: 741.8751208294625
  • Molar Volume: 7.324059678650871
  • Full Formula: K1 Cr20 O40
  • Reduced Formula: KCr20O40
  • Formula Anonymous: AB20C40
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -515.90450467
  • Final energy per atom: -8.45745089622951
  • 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.