Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1224215

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1224215
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 4
  • Element list: ['Hf', 'Zr', 'Sb', 'Rh']
  • Chemical System: Hf-Rh-Sb-Zr
  • Density: 8.656997139958914
  • Atomic Density: 0.043502413913259624
  • Unit Cell Volume: 137.92338080281075
  • Molar Volume: 13.843233554826803
  • Full Formula: Hf1 Zr1 Sb2 Rh2
  • Reduced Formula: HfZr(SbRh)2
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -42.69476479
  • Final energy per atom: -7.115794131666667
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.