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-120159
  • 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: 3
  • Number of elements: 3
  • Element list: ['Y', 'Mn', 'F']
  • Chemical System: F-Mn-Y
  • Density: 5.0355420369039114
  • Atomic Density: 0.055866460916133245
  • Unit Cell Volume: 53.69948177858628
  • Molar Volume: 10.779527933656725
  • Full Formula: Y1 Mn1 F1
  • Reduced Formula: YMnF
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2