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-119466
  • 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: 22
  • Number of elements: 3
  • Element list: ['Hf', 'Cr', 'Si']
  • Chemical System: Cr-Hf-Si
  • Density: 7.818744583361195
  • Atomic Density: 0.0734260465850777
  • Unit Cell Volume: 299.62119742493445
  • Molar Volume: 8.201641025330476
  • Full Formula: Hf4 Cr8 Si10
  • Reduced Formula: Hf2Cr4Si5
  • Formula Anonymous: A2B4C5
  • Spacegroup Number: 72
  • Spacegroup Symbol: Ibam
  • Crystal System: orthorhombic
  • Pointgroup: mmm