Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-686635

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-686635
  • 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: 152
  • Number of elements: 5
  • Element list: ['Rb', 'Er', 'Ti', 'P', 'O']
  • Chemical System: Er-O-P-Rb-Ti
  • Density: 3.9583422623224847
  • Atomic Density: 0.0690366629856984
  • Unit Cell Volume: 2201.7286674399115
  • Molar Volume: 8.723105230691038
  • Full Formula: Rb16 Er7 Ti9 P24 O96
  • Reduced Formula: Rb16Er7Ti9(PO4)24
  • Formula Anonymous: A7B9C16D24E96
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -1192.38394553
  • Final energy per atom: -7.844631220592104
  • 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.