Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-558774

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-558774
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 39
  • Number of elements: 4
  • Element list: ['Sr', 'V', 'S', 'O']
  • Chemical System: O-S-Sr-V
  • Density: 3.3912969814720535
  • Atomic Density: 0.046264029209506376
  • Unit Cell Volume: 842.9875362430872
  • Molar Volume: 13.016896415849931
  • Full Formula: Sr6 V9 S22 O2
  • Reduced Formula: Sr6V9(S11O)2
  • Formula Anonymous: A2B6C9D22
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -249.13842482000004
  • Final energy per atom: -6.38816473897436
  • 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.