Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-707406

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-707406
  • 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: 81
  • Number of elements: 5
  • Element list: ['Rb', 'Te', 'P', 'H', 'O']
  • Chemical System: H-O-P-Rb-Te
  • Density: 2.899790594477282
  • Atomic Density: 0.08093802760215425
  • Unit Cell Volume: 1000.7656771443749
  • Molar Volume: 7.440434290790297
  • Full Formula: Rb6 Te3 P6 H26 O40
  • Reduced Formula: Rb6Te3P6(H13O20)2
  • Formula Anonymous: A3B6C6D26E40
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -480.44685812
  • Final energy per atom: -5.931442692839506
  • 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.