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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228737

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-1228737
  • 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: 126
  • Number of elements: 5
  • Element list: ['Ca', 'Mn', 'P', 'O', 'F']
  • Chemical System: Ca-F-Mn-O-P
  • Density: 3.15947154121775
  • Atomic Density: 0.07846005877721587
  • Unit Cell Volume: 1605.9126384007925
  • Molar Volume: 7.675422187867106
  • Full Formula: Ca28 Mn2 P18 O72 F6
  • Reduced Formula: Ca14MnP9(O12F)3
  • Formula Anonymous: AB3C9D14E36
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -963.11469428
  • Final energy per atom: -7.643767414920635
  • 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.