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  1. Third-Parties
  2. MatprojStructure
  3. mp-556817

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-556817
  • 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: 52
  • Number of elements: 5
  • Element list: ['K', 'Yb', 'Mo', 'P', 'O']
  • Chemical System: K-Mo-O-P-Yb
  • Density: 3.864926894830922
  • Atomic Density: 0.05978057737977833
  • Unit Cell Volume: 869.8477378304776
  • Molar Volume: 10.07374137881291
  • Full Formula: K8 Yb4 Mo4 P4 O32
  • Reduced Formula: K2YbMoPO8
  • Formula Anonymous: ABCD2E8
  • Spacegroup Number: 73
  • Spacegroup Symbol: Ibca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -372.76116909
  • Final energy per atom: -7.168484020961539
  • 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.