Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1199642

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-1199642
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 5
  • Element list: ['Sr', 'V', 'Te', 'H', 'O']
  • Chemical System: H-O-Sr-Te-V
  • Density: 3.7328648530314013
  • Atomic Density: 0.0668297521730914
  • Unit Cell Volume: 808.0233465498736
  • Molar Volume: 9.011167278314073
  • Full Formula: Sr4 V8 Te4 H4 O34
  • Reduced Formula: Sr2V4Te2H2O17
  • Formula Anonymous: A2B2C2D4E17
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -396.71465571
  • Final energy per atom: -7.346567698333333
  • 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.