Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1198458

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-1198458
  • 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: 72
  • Number of elements: 5
  • Element list: ['Rb', 'Sc', 'Si', 'O', 'F']
  • Chemical System: F-O-Rb-Sc-Si
  • Density: 3.0713505426477004
  • Atomic Density: 0.06563739851976248
  • Unit Cell Volume: 1096.9356132894545
  • Molar Volume: 9.174862038730586
  • Full Formula: Rb8 Sc4 Si16 O40 F4
  • Reduced Formula: Rb2ScSi4O10F
  • Formula Anonymous: ABC2D4E10
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -562.30262655
  • Final energy per atom: -7.809758702083333
  • 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.