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-11195
  • 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: 18
  • Number of elements: 3
  • Element list: ['Hf', 'P', 'S']
  • Chemical System: Hf-P-S
  • Density: 3.044696112302958
  • Atomic Density: 0.038126109811456005
  • Unit Cell Volume: 472.1174042936691
  • Molar Volume: 15.795319243901686
  • Full Formula: Hf2 P4 S12
  • Reduced Formula: Hf(PS3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 43
  • Spacegroup Symbol: Fdd2
  • Crystal System: orthorhombic
  • Pointgroup: mm2