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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211807

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-1211807
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 4
  • Element list: ['K', 'Y', 'P', 'O']
  • Chemical System: K-O-P-Y
  • Density: 2.8879580012094994
  • Atomic Density: 0.061088635064731646
  • Unit Cell Volume: 1244.0939287556148
  • Molar Volume: 9.858037838983847
  • Full Formula: K8 Y8 P12 O48
  • Reduced Formula: K2Y2(PO4)3
  • Formula Anonymous: A2B2C3D12
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -597.69587357
  • Final energy per atom: -7.8644193890789476
  • 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.