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  1. Third-Parties
  2. MatprojStructure
  3. mp-560580

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-560580
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 4
  • Element list: ['K', 'Mo', 'P', 'O']
  • Chemical System: K-Mo-O-P
  • Density: 3.795925783826638
  • Atomic Density: 0.06600264441425079
  • Unit Cell Volume: 1696.9017074082235
  • Molar Volume: 9.124090123122016
  • Full Formula: K6 Mo24 P2 O80
  • Reduced Formula: K3Mo12PO40
  • Formula Anonymous: AB3C12D40
  • Spacegroup Number: 224
  • Spacegroup Symbol: Pn-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -905.10163403
  • Final energy per atom: -8.081264589553571
  • 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.