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  1. Third-Parties
  2. MatprojStructure
  3. mp-1234553

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-1234553
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 6
  • Element list: ['Mg', 'Zn', 'Cu', 'H', 'S', 'O']
  • Chemical System: Cu-H-Mg-O-S-Zn
  • Density: 2.9730253733860708
  • Atomic Density: 0.10032285738379301
  • Unit Cell Volume: 398.71272652230033
  • Molar Volume: 6.002760404801695
  • Full Formula: Mg1 Zn3 Cu2 H14 S2 O18
  • Reduced Formula: MgZn3Cu2H14(SO9)2
  • Formula Anonymous: AB2C2D3E14F18
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -217.3546779
  • Final energy per atom: -5.4338669475
  • 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.