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-118287
  • 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: 4
  • Number of elements: 3
  • Element list: ['Zr', 'Mn', 'F']
  • Chemical System: F-Mn-Zr
  • Density: 5.044499737452996
  • Atomic Density: 0.06598365978562615
  • Unit Cell Volume: 60.621069110073186
  • Molar Volume: 9.126715280063715
  • Full Formula: Zr1 Mn1 F2
  • Reduced Formula: ZrMnF2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm