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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208648

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-1208648
  • 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: 132
  • Number of elements: 4
  • Element list: ['Tl', 'Mo', 'P', 'O']
  • Chemical System: Mo-O-P-Tl
  • Density: 4.745002271045544
  • Atomic Density: 0.06402652403758707
  • Unit Cell Volume: 2061.6455755509824
  • Molar Volume: 9.405696858484266
  • Full Formula: Tl12 Mo16 P16 O88
  • Reduced Formula: Tl3Mo4(P2O11)2
  • Formula Anonymous: A3B4C4D22
  • Spacegroup Number: 20
  • Spacegroup Symbol: C222_1
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -1017.10079867
  • Final energy per atom: -7.7053090808333335
  • 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.