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  1. Third-Parties
  2. MatprojStructure
  3. mp-10004

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-10004
  • 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: 16
  • Number of elements: 2
  • Element list: ['Mo', 'P']
  • Chemical System: Mo-P
  • Density: 8.991405458440736
  • Atomic Density: 0.06794048789408202
  • Unit Cell Volume: 235.50022226722461
  • Molar Volume: 8.863846796903207
  • Full Formula: Mo12 P4
  • Reduced Formula: Mo3P
  • Formula Anonymous: AB3
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -157.39954316
  • Final energy per atom: -9.8374714475
  • 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.