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-79639
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ni', 'H', 'O']
  • Chemical System: H-Ni-O
  • Density: 4.577943278530995
  • Atomic Density: 0.12025725947261065
  • Unit Cell Volume: 33.262025241071
  • Molar Volume: 5.0077149491100625
  • Full Formula: Ni1 H1 O2
  • Reduced Formula: NiHO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m