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  1. Third-Parties
  2. MatprojStructure
  3. mp-554155

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-554155
  • 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: 12
  • Number of elements: 4
  • Element list: ['K', 'Sb', 'P', 'O']
  • Chemical System: K-O-P-Sb
  • Density: 3.3135993732744873
  • Atomic Density: 0.0682607877051217
  • Unit Cell Volume: 175.79638916325638
  • Molar Volume: 8.82225500534057
  • Full Formula: K1 Sb1 P2 O8
  • Reduced Formula: KSb(PO4)2
  • Formula Anonymous: ABC2D8
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -85.15794625
  • Final energy per atom: -7.096495520833333
  • 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.