Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1223921

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-1223921
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 6
  • Element list: ['K', 'V', 'Co', 'Cu', 'As', 'O']
  • Chemical System: As-Co-Cu-K-O-V
  • Density: 4.475119240348486
  • Atomic Density: 0.0787762279725013
  • Unit Cell Volume: 507.7673941682374
  • Molar Volume: 7.644616802548821
  • Full Formula: K2 V1 Co6 Cu2 As5 O24
  • Reduced Formula: K2VCo6Cu2As5O24
  • Formula Anonymous: AB2C2D5E6F24
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -271.16944009
  • Final energy per atom: -6.77923600225
  • 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.