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  1. Third-Parties
  2. MatprojStructure
  3. mp-1234830

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-1234830
  • 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: 47
  • Number of elements: 5
  • Element list: ['Mg', 'Zr', 'H', 'S', 'O']
  • Chemical System: H-Mg-O-S-Zr
  • Density: 2.230374478552895
  • Atomic Density: 0.07364470856395997
  • Unit Cell Volume: 638.1992802535269
  • Molar Volume: 8.177289145994527
  • Full Formula: Mg1 Zr2 H10 S6 O28
  • Reduced Formula: MgZr2H10(S3O14)2
  • Formula Anonymous: AB2C6D10E28
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -307.69236493
  • Final energy per atom: -6.546646062340425
  • 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.