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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195951

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-1195951
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 5
  • Element list: ['Rb', 'Sc', 'Si', 'O', 'F']
  • Chemical System: F-O-Rb-Sc-Si
  • Density: 3.0509136372895695
  • Atomic Density: 0.06520064430272483
  • Unit Cell Volume: 552.1417830298267
  • Molar Volume: 9.236320935786098
  • Full Formula: Rb4 Sc2 Si8 O20 F2
  • Reduced Formula: Rb2ScSi4O10F
  • Formula Anonymous: ABC2D4E10
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -280.99565861
  • Final energy per atom: -7.805434961388889
  • 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.