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  1. Third-Parties
  2. MatprojStructure
  3. mp-757858

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-757858
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 66
  • Number of elements: 5
  • Element list: ['V', 'Zn', 'H', 'S', 'O']
  • Chemical System: H-O-S-V-Zn
  • Density: 4.107123027120484
  • Atomic Density: 0.08593823499868171
  • Unit Cell Volume: 767.9934315734137
  • Molar Volume: 7.00752204195534
  • Full Formula: V6 Zn14 H6 S2 O38
  • Reduced Formula: V3Zn7H3SO19
  • Formula Anonymous: AB3C3D7E19
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -415.7101363
  • Final energy per atom: -6.2986384287878785
  • 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.