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{
"id": "mp-772115",
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{
"id": "mp-1249282",
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"structure_string": "Si12 W12 O48\n1.0\n-5.788453 5.788453 5.788453\n5.788453 -5.788453 5.788453\n5.788453 5.788453 -5.788453\nSi W O\n12 12 48\ndirect\n0.125000 0.875000 0.250000 Si\n0.250000 0.125000 0.875000 Si\n0.750000 0.375000 0.625000 Si\n0.625000 0.375000 0.250000 Si\n0.625000 0.750000 0.375000 Si\n0.375000 0.625000 0.750000 Si\n0.125000 0.750000 0.875000 Si\n0.750000 0.875000 0.125000 Si\n0.875000 0.250000 0.125000 Si\n0.375000 0.250000 0.625000 Si\n0.250000 0.625000 0.375000 Si\n0.875000 0.125000 0.750000 Si\n0.875000 0.625000 0.250000 W\n0.625000 0.250000 0.875000 W\n0.875000 0.750000 0.625000 W\n0.750000 0.625000 0.875000 W\n0.250000 0.875000 0.625000 W\n0.625000 0.875000 0.750000 W\n0.125000 0.375000 0.750000 W\n0.375000 0.750000 0.125000 W\n0.125000 0.250000 0.375000 W\n0.250000 0.375000 0.125000 W\n0.750000 0.125000 0.375000 W\n0.375000 0.125000 0.250000 W\n0.468614 0.369647 0.274360 O\n0.305746 0.901033 0.031386 O\n0.598967 0.904713 0.130353 O\n0.595287 0.194254 0.225640 O\n0.130353 0.031386 0.225640 O\n0.194254 0.225640 0.595287 O\n0.194254 0.468614 0.598967 O\n0.225640 0.595287 0.194254 O\n0.369647 0.595287 0.901033 O\n0.904713 0.274360 0.305746 O\n0.274360 0.305746 0.904713 O\n0.225640 0.130353 0.031386 O\n0.468614 0.598967 0.194254 O\n0.901033 0.369647 0.595287 O\n0.031386 0.225640 0.130353 O\n0.598967 0.194254 0.468614 O\n0.595287 0.901033 0.369647 O\n0.031386 0.305746 0.901033 O\n0.904713 0.130353 0.598967 O\n0.630353 0.404713 0.098967 O\n0.369647 0.274360 0.468614 O\n0.274360 0.468614 0.369647 O\n0.901033 0.031386 0.305746 O\n0.305746 0.904713 0.274360 O\n0.531386 0.630353 0.725640 O\n0.694254 0.098967 0.968614 O\n0.401033 0.095287 0.869647 O\n0.404713 0.805746 0.774360 O\n0.869647 0.968614 0.774360 O\n0.805746 0.774360 0.404713 O\n0.805746 0.531386 0.401033 O\n0.774360 0.404713 0.805746 O\n0.694254 0.095287 0.725640 O\n0.098967 0.968614 0.694254 O\n0.725640 0.531386 0.630353 O\n0.630353 0.725640 0.531386 O\n0.869647 0.401033 0.095287 O\n0.095287 0.869647 0.401033 O\n0.968614 0.694254 0.098967 O\n0.404713 0.098967 0.630353 O\n0.401033 0.805746 0.531386 O\n0.968614 0.774360 0.869647 O\n0.098967 0.630353 0.404713 O\n0.531386 0.401033 0.805746 O\n0.774360 0.869647 0.968614 O\n0.725640 0.694254 0.095287 O\n0.095287 0.725640 0.694254 O\n0.130353 0.598967 0.904713 O\n",
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{
"id": "mp-1042576",
"created_at": "2022-09-04T14:40:09.286664Z",
"structure_string": "Zn8 Co8 Sb16 O56\n1.0\n14.708153 0.000000 0.000000\n0.000000 6.601661 0.000000\n0.000000 3.469318 12.645688\nZn Co Sb O\n8 8 16 56\ndirect\n0.525225 0.940887 0.779868 Zn\n0.893571 0.686117 0.897061 Zn\n0.393571 0.313883 0.602939 Zn\n0.106429 0.313883 0.102939 Zn\n0.606429 0.686117 0.397061 Zn\n0.974775 0.940887 0.279868 Zn\n0.474775 0.059113 0.220132 Zn\n0.025225 0.059113 0.720132 Zn\n0.654608 0.327192 0.101110 Co\n0.154608 0.672808 0.398890 Co\n0.345392 0.672808 0.898890 Co\n0.845392 0.327192 0.601110 Co\n0.770527 0.981198 0.248303 Co\n0.270527 0.018802 0.251697 Co\n0.229473 0.018802 0.751697 Co\n0.729473 0.981198 0.748303 Co\n0.895851 0.077899 0.011199 Sb\n0.026503 0.606929 0.669091 Sb\n0.473497 0.606929 0.169091 Sb\n0.973497 0.393071 0.330909 Sb\n0.736719 0.427529 0.822986 Sb\n0.236719 0.572471 0.677014 Sb\n0.263281 0.572471 0.177014 Sb\n0.763281 0.427529 0.322986 Sb\n0.526503 0.393071 0.830909 Sb\n0.168206 0.140742 0.485962 Sb\n0.668206 0.859258 0.014038 Sb\n0.831794 0.859258 0.514038 Sb\n0.395851 0.922101 0.488801 Sb\n0.604149 0.077899 0.511199 Sb\n0.104149 0.922101 0.988801 Sb\n0.331794 0.140742 0.985962 Sb\n0.028016 0.173836 0.012120 O\n0.528016 0.826164 0.487880 O\n0.971984 0.826164 0.987880 O\n0.471984 0.173836 0.512120 O\n0.802338 0.934063 0.951488 O\n0.302338 0.065937 0.548512 O\n0.197662 0.065937 0.048512 O\n0.697662 0.934063 0.451488 O\n0.880584 0.002720 0.160359 O\n0.380584 0.997280 0.339641 O\n0.119416 0.997280 0.839641 O\n0.619416 0.002720 0.660359 O\n0.283019 0.412964 0.927795 O\n0.783019 0.587036 0.572205 O\n0.716981 0.587036 0.072205 O\n0.216981 0.412964 0.427795 O\n0.366060 0.020619 0.133964 O\n0.866060 0.979381 0.366036 O\n0.633940 0.979381 0.866036 O\n0.133940 0.020619 0.633964 O\n0.314344 0.962750 0.892494 O\n0.469942 0.662756 0.825344 O\n0.814344 0.037250 0.607506 O\n0.185656 0.962750 0.392494 O\n0.475993 0.234744 0.735836 O\n0.975993 0.765256 0.764164 O\n0.524007 0.765256 0.264164 O\n0.024007 0.234744 0.235836 O\n0.462870 0.224451 0.955668 O\n0.962870 0.775549 0.544332 O\n0.537130 0.775549 0.044332 O\n0.037130 0.224451 0.455668 O\n0.872528 0.501544 0.229833 O\n0.372528 0.498456 0.270167 O\n0.127472 0.498456 0.770167 O\n0.627472 0.501544 0.729833 O\n0.707085 0.241634 0.252251 O\n0.207085 0.758366 0.247749 O\n0.292915 0.758366 0.747749 O\n0.792915 0.241634 0.752251 O\n0.650397 0.364303 0.437801 O\n0.150397 0.635697 0.062199 O\n0.349603 0.635697 0.562199 O\n0.849603 0.364303 0.937801 O\n0.712870 0.701667 0.301028 O\n0.212870 0.298333 0.198972 O\n0.287130 0.298333 0.698972 O\n0.787130 0.701667 0.801028 O\n0.862510 0.366008 0.432091 O\n0.362510 0.633992 0.067909 O\n0.137490 0.633992 0.567909 O\n0.637490 0.366008 0.932091 O\n0.030058 0.662756 0.325344 O\n0.530058 0.337244 0.174656 O\n0.969942 0.337244 0.674656 O\n0.685656 0.037250 0.107506 O\n",
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{
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{
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"formula_full": "Li6 Cr8 P4 O16 F18",
"formula_reduced": "Li3Cr4P2O8F9",
"formula_anonymous": "A2B3C4D8E9",
"energy": -369.69341323,
"energy_per_atom": -7.109488715961538,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -334.39341323,
"band_gap": 0.9551999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.0006136,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.836000Z",
"spacegroup": 11
}
]
}