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  1. Third-Parties
  2. MatprojStructure
  3. mp-1187832

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-1187832
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 31
  • Number of elements: 5
  • Element list: ['Tl', 'Zn', 'P', 'H', 'O']
  • Chemical System: H-O-P-Tl-Zn
  • Density: 3.7575777529533734
  • Atomic Density: 0.08136742099376534
  • Unit Cell Volume: 380.9878649389088
  • Molar Volume: 7.401169517787023
  • Full Formula: Tl2 Zn1 P4 H8 O16
  • Reduced Formula: Tl2ZnP4(HO2)8
  • Formula Anonymous: AB2C4D8E16
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -195.0810334
  • Final energy per atom: -6.292936561290323
  • 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.