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  1. Third-Parties
  2. MatprojStructure
  3. mp-738684

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-738684
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 5
  • Element list: ['K', 'Y', 'H', 'C', 'O']
  • Chemical System: C-H-K-O-Y
  • Density: 2.0610797625223682
  • Atomic Density: 0.07317816794063069
  • Unit Cell Volume: 1038.5611192351612
  • Molar Volume: 8.22942269460169
  • Full Formula: K10 Y2 H16 C16 O32
  • Reduced Formula: K5YH8(CO2)8
  • Formula Anonymous: AB5C8D8E16
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -508.0925199799999
  • Final energy per atom: -6.685427894473683
  • 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.