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  1. Third-Parties
  2. MatprojStructure
  3. mp-560013

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-560013
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 144
  • Number of elements: 4
  • Element list: ['K', 'Mo', 'P', 'O']
  • Chemical System: K-Mo-O-P
  • Density: 3.2462527316530405
  • Atomic Density: 0.06820977508814977
  • Unit Cell Volume: 2111.134361811104
  • Molar Volume: 8.828852979235581
  • Full Formula: K8 Mo16 P24 O96
  • Reduced Formula: KMo2(PO4)3
  • Formula Anonymous: AB2C3D12
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1144.51964128
  • Final energy per atom: -7.948053064444445
  • 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.