{
  "phase": "Phase 7: Scientific Audit",
  "timestamp": "2026-07-21 23:13:26",
  "formation_energy": {
    "N_valid": 266732,
    "mean": -0.5776515989277631,
    "median": -0.1956329507053925,
    "std": 1.2488001125953512,
    "min": -4.373888270238096,
    "max": 45.171279419576265,
    "p1": -3.3163405550155445,
    "p5": -2.816215027924354,
    "p25": -1.5625814823620687,
    "p50": -0.1956329507053925,
    "p75": 0.23216667465277652,
    "p95": 1.063749409468748,
    "p99": 1.8030020806411136,
    "n_extreme_outliers": 74
  },
  "energy_above_hull": {
    "N_valid": 241059,
    "mean": 0.3856898069649797,
    "median": 0.236943277241666,
    "min": 0.0,
    "max": 47.03310117822222,
    "n_gt_1": 21973
  },
  "band_gap": {
    "N_valid": 266581,
    "mean": 0.5825359616551982,
    "median": 0.0,
    "n_metal": 197531
  },
  "crystal_system": {
    "Cubic": 135496,
    "Triclinic": 51590,
    "Monoclinic": 33007,
    "Orthorhombic": 18065,
    "Trigonal": 11978,
    "Tetragonal": 10686,
    "Hexagonal": 5894
  },
  "top_elements": {
    "O": 288978,
    "Li": 120644,
    "Mg": 110943,
    "Zn": 80337,
    "Na": 71483,
    "K": 60450,
    "Ca": 57981,
    "F": 46259,
    "S": 35410,
    "H": 32479,
    "P": 25773,
    "Mn": 25196,
    "Si": 25141,
    "Al": 22994,
    "Cu": 22818,
    "Fe": 22473,
    "B": 21156,
    "Co": 21098,
    "Se": 20849,
    "N": 19603
  },
  "n_elements_distribution": {
    "1": 95,
    "2": 7740,
    "3": 58104,
    "4": 123221,
    "5": 14631,
    "6": 10781,
    "7": 1482,
    "8": 10393,
    "9": 2614,
    "10": 6837,
    "11": 750,
    "12": 6390,
    "13": 591,
    "14": 2973,
    "15": 493,
    "16": 3809,
    "17": 151,
    "18": 1022,
    "19": 182,
    "20": 2261,
    "21": 193,
    "22": 998,
    "23": 359,
    "24": 2560,
    "25": 74,
    "26": 549,
    "27": 170,
    "28": 1959,
    "29": 310,
    "30": 537,
    "31": 23,
    "32": 698,
    "33": 23,
    "34": 116,
    "35": 17,
    "36": 560,
    "37": 14,
    "38": 305,
    "39": 26,
    "40": 400,
    "41": 15,
    "42": 123,
    "43": 2,
    "44": 71,
    "45": 2,
    "46": 53,
    "47": 1,
    "48": 158,
    "49": 10,
    "50": 74,
    "51": 6,
    "52": 174,
    "53": 4,
    "54": 78,
    "55": 5,
    "56": 204,
    "57": 7,
    "58": 52,
    "59": 5,
    "60": 124,
    "61": 2,
    "62": 27,
    "63": 1,
    "64": 106,
    "65": 2,
    "66": 14,
    "68": 35,
    "69": 1,
    "70": 6,
    "71": 3,
    "72": 55,
    "74": 9,
    "75": 2,
    "76": 67,
    "78": 15,
    "79": 7,
    "80": 583,
    "81": 2,
    "82": 4,
    "84": 11,
    "86": 1,
    "88": 14,
    "90": 1,
    "92": 8,
    "94": 1,
    "96": 44,
    "98": 1,
    "100": 3,
    "102": 4,
    "104": 11,
    "105": 2,
    "108": 5,
    "112": 3,
    "120": 1,
    "122": 2,
    "124": 1,
    "126": 1,
    "128": 3,
    "129": 2,
    "130": 1,
    "132": 1,
    "136": 1,
    "138": 1,
    "140": 3,
    "144": 1,
    "150": 77,
    "152": 2,
    "160": 1,
    "168": 1,
    "175": 1,
    "216": 1,
    "272": 1,
    "312": 1
  },
  "findings": [
    {
      "severity": "MEDIUM",
      "phase": "scientific",
      "check": "extreme_formation_energy_per_atom",
      "status": "74 outliers",
      "detail": ""
    },
    {
      "severity": "MEDIUM",
      "phase": "scientific",
      "check": "high_energy_above_hull",
      "status": "21,973 entries > 1 eV/atom",
      "detail": "max=47.0"
    },
    {
      "severity": "MEDIUM",
      "phase": "scientific",
      "check": "extreme_density",
      "status": "568 outside [0.5, 25] g/cm\u00b3",
      "detail": ""
    },
    {
      "severity": "LOW",
      "phase": "scientific",
      "check": "high_element_count",
      "status": "max elements = 312",
      "detail": ""
    }
  ],
  "summary": {
    "CRITICAL": 0,
    "HIGH": 0,
    "MEDIUM": 3,
    "LOW": 1,
    "PASS": 0
  }
}