Download Simmate

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

learn more

Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-10018
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['K', 'Si', 'As']
  • Chemical System: As-K-Si
  • Density: 2.8725822227682025
  • Atomic Density: 0.03377076473148492
  • Unit Cell Volume: 296.11411170315813
  • Molar Volume: 17.832408616987816
  • Full Formula: K4 Si2 As4
  • Reduced Formula: K2SiAs2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 72
  • Spacegroup Symbol: Ibam
  • Crystal System: orthorhombic
  • Pointgroup: mmm