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  1. Third-Parties
  2. MatprojStructure
  3. mp-863745

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-863745
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 7
  • Number of elements: 5
  • Element list: ['Rb', 'Sr', 'C', 'O', 'F']
  • Chemical System: C-F-O-Rb-Sr
  • Density: 3.439093404000905
  • Atomic Density: 0.05750803175849519
  • Unit Cell Volume: 121.7221279524307
  • Molar Volume: 10.471825544803835
  • Full Formula: Rb1 Sr1 C1 O3 F1
  • Reduced Formula: RbSrCO3F
  • Formula Anonymous: ABCDE3
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -48.142706020000006
  • Final energy per atom: -6.877529431428572
  • 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.