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  1. Third-Parties
  2. MatprojStructure
  3. mp-23772

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-23772
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 6
  • Element list: ['Tb', 'Ag', 'H', 'C', 'N', 'O']
  • Chemical System: Ag-C-H-N-O-Tb
  • Density: 3.1393318551963447
  • Atomic Density: 0.06823314208999416
  • Unit Cell Volume: 732.7817314063292
  • Molar Volume: 8.825829465770855
  • Full Formula: Tb2 Ag6 H12 C12 N12 O6
  • Reduced Formula: TbAg3H6C6(N2O)3
  • Formula Anonymous: AB3C3D6E6F6
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -331.33969764
  • Final energy per atom: -6.6267939528
  • 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.