Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-720670

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-720670
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 86
  • Number of elements: 6
  • Element list: ['Na', 'Zn', 'Sn', 'H', 'S', 'O']
  • Chemical System: H-Na-O-S-Sn-Zn
  • Density: 2.8972559489188834
  • Atomic Density: 0.0584169735739005
  • Unit Cell Volume: 1472.174861835414
  • Molar Volume: 10.308888652681878
  • Full Formula: Na10 Zn7 Sn7 H24 S26 O12
  • Reduced Formula: Na10Zn7Sn7H24(S13O6)2
  • Formula Anonymous: A7B7C10D12E24F26
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -396.21246736
  • Final energy per atom: -4.607121713488372
  • 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.