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-120743
  • 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: 13
  • Number of elements: 3
  • Element list: ['Mn', 'Ni', 'O']
  • Chemical System: Mn-Ni-O
  • Density: 4.935853482003855
  • Atomic Density: 0.09507344657818563
  • Unit Cell Volume: 136.73639136779562
  • Molar Volume: 6.334198429471647
  • Full Formula: Mn4 Ni1 O8
  • Reduced Formula: Mn4NiO8
  • Formula Anonymous: AB4C8
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m