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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195604

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-1195604
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 53
  • Number of elements: 5
  • Element list: ['Mg', 'H', 'C', 'S', 'O']
  • Chemical System: C-H-Mg-O-S
  • Density: 1.302724880600274
  • Atomic Density: 0.09654303414192252
  • Unit Cell Volume: 548.9779813848368
  • Molar Volume: 6.237778637811597
  • Full Formula: Mg1 H30 C2 S2 O18
  • Reduced Formula: MgH30C2(SO9)2
  • Formula Anonymous: AB2C2D18E30
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -286.43408151
  • Final energy per atom: -5.404416632264151
  • 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.