Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1216450

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-1216450
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['V', 'Ga', 'Sb']
  • Chemical System: Ga-Sb-V
  • Density: 7.148721455894655
  • Atomic Density: 0.06927835162702399
  • Unit Cell Volume: 115.47618862339347
  • Molar Volume: 8.692673278979827
  • Full Formula: V6 Ga1 Sb1
  • Reduced Formula: V6GaSb
  • Formula Anonymous: ABC6
  • Spacegroup Number: 200
  • Spacegroup Symbol: Pm-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -63.22567432
  • Final energy per atom: -7.90320929
  • 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.