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  1. Third-Parties
  2. MatprojStructure
  3. mp-23771

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-23771
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 4
  • Element list: ['Sm', 'H', 'C', 'O']
  • Chemical System: C-H-O-Sm
  • Density: 3.5706785916089894
  • Atomic Density: 0.09794275111622577
  • Unit Cell Volume: 132.7305987614467
  • Molar Volume: 6.148633453080875
  • Full Formula: Sm1 H3 C3 O6
  • Reduced Formula: SmH3(CO2)3
  • Formula Anonymous: AB3C3D6
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -95.09626241
  • Final energy per atom: -7.315097108461538
  • 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.