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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201714

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-1201714
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 136
  • Number of elements: 5
  • Element list: ['Sc', 'H', 'C', 'S', 'O']
  • Chemical System: C-H-O-S-Sc
  • Density: 1.7010156459576369
  • Atomic Density: 0.09063031581006571
  • Unit Cell Volume: 1500.6016340604583
  • Molar Volume: 6.644731077204479
  • Full Formula: Sc4 H60 C12 S12 O48
  • Reduced Formula: ScH15C3(SO4)3
  • Formula Anonymous: AB3C3D12E15
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -799.15659068
  • Final energy per atom: -5.876151402058824
  • 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.