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  1. Third-Parties
  2. MatprojStructure
  3. mp-758840

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-758840
  • 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: 104
  • Number of elements: 5
  • Element list: ['K', 'B', 'P', 'H', 'O']
  • Chemical System: B-H-K-O-P
  • Density: 2.0829400058757774
  • Atomic Density: 0.08985464735511325
  • Unit Cell Volume: 1157.4248306710626
  • Molar Volume: 6.702091585981062
  • Full Formula: K4 B24 P4 H16 O56
  • Reduced Formula: KB6P(H2O7)2
  • Formula Anonymous: ABC4D6E14
  • Spacegroup Number: 130
  • Spacegroup Symbol: P4/ncc1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -774.86877485
  • Final energy per atom: -7.450661296634616
  • 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.