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  1. Third-Parties
  2. MatprojStructure
  3. mp-722674

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-722674
  • 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: 82
  • Number of elements: 5
  • Element list: ['K', 'Tc', 'H', 'C', 'O']
  • Chemical System: C-H-K-O-Tc
  • Density: 2.238386712063779
  • Atomic Density: 0.06991339636265205
  • Unit Cell Volume: 1172.8796520577084
  • Molar Volume: 8.613715072233346
  • Full Formula: K8 Tc4 H12 C16 O42
  • Reduced Formula: K4Tc2H6C8O21
  • Formula Anonymous: A2B4C6D8E21
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -578.00888933
  • Final energy per atom: -7.048888894268292
  • 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.