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  1. Third-Parties
  2. MatprojStructure
  3. mp-672176

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-672176
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 4
  • Element list: ['K', 'Sc', 'Mo', 'O']
  • Chemical System: K-Mo-O-Sc
  • Density: 2.894385426616018
  • Atomic Density: 0.0515801746941485
  • Unit Cell Volume: 1473.4343272517415
  • Molar Volume: 11.675301209639331
  • Full Formula: K12 Sc4 Mo12 O48
  • Reduced Formula: K3Sc(MoO4)3
  • Formula Anonymous: AB3C3D12
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -589.33327291
  • Final energy per atom: -7.754385169868421
  • 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.