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  1. Third-Parties
  2. MatprojStructure
  3. mp-1041684

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-1041684
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Mg', 'Ti', 'P', 'O']
  • Chemical System: Mg-O-P-Ti
  • Density: 3.241315604980786
  • Atomic Density: 0.08724212845144445
  • Unit Cell Volume: 252.17174764648638
  • Molar Volume: 6.902789818283362
  • Full Formula: Mg2 Ti2 P4 O14
  • Reduced Formula: MgTiP2O7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -170.63599111
  • Final energy per atom: -7.756181414090909
  • 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.