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  1. Third-Parties
  2. MatprojStructure
  3. mp-1178731

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-1178731
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['Y', 'B', 'H', 'O']
  • Chemical System: B-H-O-Y
  • Density: 2.6766956547733627
  • Atomic Density: 0.10167412822634705
  • Unit Cell Volume: 432.75512431291423
  • Molar Volume: 5.9229824391446995
  • Full Formula: Y2 B12 H6 O24
  • Reduced Formula: YB6(HO4)3
  • Formula Anonymous: AB3C6D12
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -350.9216925
  • Final energy per atom: -7.975493011363636
  • 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.