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{
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{
"id": "mp-772726",
"created_at": "2022-09-04T14:45:29.793372Z",
"structure_string": "Na6 Cu2 C2 S2 O14\n1.0\n6.969215 0.000000 0.000000\n0.000000 5.149092 0.000000\n0.000000 0.018592 8.998100\nNa Cu C S O\n6 2 2 2 14\ndirect\n0.750000 0.757249 0.078646 Na\n0.008360 0.246888 0.257608 Na\n0.491640 0.246888 0.257608 Na\n0.508360 0.753112 0.742392 Na\n0.991640 0.753112 0.742392 Na\n0.250000 0.242751 0.921354 Na\n0.250000 0.763596 0.364177 Cu\n0.750000 0.236404 0.635823 Cu\n0.250000 0.736000 0.059107 C\n0.750000 0.264000 0.940893 C\n0.750000 0.701965 0.408902 S\n0.250000 0.298035 0.591098 S\n0.750000 0.283263 0.085774 O\n0.250000 0.963296 0.121590 O\n0.250000 0.527585 0.140783 O\n0.922874 0.784560 0.322052 O\n0.577126 0.784560 0.322052 O\n0.750000 0.409491 0.423578 O\n0.250000 0.183537 0.439230 O\n0.750000 0.816463 0.560770 O\n0.250000 0.590509 0.576422 O\n0.422874 0.215440 0.677948 O\n0.077126 0.215440 0.677948 O\n0.750000 0.472415 0.859217 O\n0.750000 0.036704 0.878410 O\n0.250000 0.716737 0.914226 O\n",
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{
"id": "mp-557792",
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"structure_string": "Hf4 S4 Cl24 O4\n1.0\n22.253446 0.000000 0.000000\n0.000000 7.016284 0.000000\n0.000000 3.216966 6.896365\nHf S Cl O\n4 4 24 4\ndirect\n0.074118 0.498263 0.651316 Hf\n0.574118 0.501737 0.848684 Hf\n0.425882 0.498263 0.151316 Hf\n0.925882 0.501737 0.348684 Hf\n0.360443 0.872008 0.679702 S\n0.639557 0.127992 0.320298 S\n0.139557 0.872008 0.179702 S\n0.860443 0.127992 0.820298 S\n0.665132 0.681872 0.831140 Cl\n0.033881 0.261924 0.947383 Cl\n0.466119 0.261924 0.447383 Cl\n0.966119 0.738076 0.052617 Cl\n0.391188 0.752632 0.251453 Cl\n0.334868 0.318128 0.168860 Cl\n0.674096 0.905453 0.238107 Cl\n0.165132 0.318128 0.668860 Cl\n0.473931 0.303253 0.962310 Cl\n0.533881 0.738076 0.552617 Cl\n0.325904 0.094547 0.761893 Cl\n0.973931 0.696747 0.537690 Cl\n0.526069 0.696747 0.037690 Cl\n0.174096 0.094547 0.261893 Cl\n0.825904 0.905453 0.738107 Cl\n0.217898 0.713046 0.180843 Cl\n0.026069 0.303253 0.462310 Cl\n0.834868 0.681872 0.331140 Cl\n0.891188 0.247368 0.248547 Cl\n0.108812 0.752632 0.751453 Cl\n0.782102 0.286954 0.819157 Cl\n0.608812 0.247368 0.748547 Cl\n0.282102 0.713046 0.680843 Cl\n0.717898 0.286954 0.319157 Cl\n0.102760 0.726853 0.342810 O\n0.897240 0.273147 0.657190 O\n0.602760 0.273147 0.157190 O\n0.397240 0.726853 0.842810 O\n",
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"elements": [
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],
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"volume": 1076.7742739241698,
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"formula_full": "Hf4 S4 Cl24 O4",
"formula_reduced": "HfSCl6O",
"formula_anonymous": "ABCD6",
"energy": -184.54116117,
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"spacegroup": 14
},
{
"id": "mp-1198053",
"created_at": "2022-09-04T14:45:29.818476Z",
"structure_string": "Cs6 Ag4 Sb6 S16\n1.0\n7.396131 0.000000 0.000000\n0.000000 10.847318 0.000000\n0.000000 2.864252 12.688579\nCs Ag Sb S\n6 4 6 16\ndirect\n0.250000 0.457692 0.657734 Cs\n0.750000 0.542308 0.342266 Cs\n0.250000 0.581691 0.074185 Cs\n0.750000 0.418309 0.925815 Cs\n0.250000 0.145302 0.448269 Cs\n0.750000 0.854698 0.551731 Cs\n0.528225 0.872735 0.101823 Ag\n0.028225 0.127265 0.898177 Ag\n0.471775 0.127265 0.898177 Ag\n0.971775 0.872735 0.101823 Ag\n0.750000 0.132462 0.209416 Sb\n0.250000 0.867538 0.790584 Sb\n0.250000 0.175746 0.114762 Sb\n0.750000 0.824254 0.885238 Sb\n0.250000 0.770977 0.372948 Sb\n0.750000 0.229023 0.627052 Sb\n0.750000 0.089087 0.026701 S\n0.250000 0.910913 0.973299 S\n0.498792 0.295476 0.184827 S\n0.998792 0.704524 0.815173 S\n0.501208 0.704524 0.815173 S\n0.001208 0.295476 0.184827 S\n0.250000 0.302464 0.936625 S\n0.750000 0.697536 0.063375 S\n0.516282 0.875283 0.295028 S\n0.016282 0.124717 0.704972 S\n0.483718 0.124717 0.704972 S\n0.983718 0.875283 0.295028 S\n0.250000 0.557478 0.360058 S\n0.750000 0.442522 0.639942 S\n0.250000 0.796476 0.547973 S\n0.750000 0.203524 0.452027 S\n",
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"volume": 1017.9816624685092,
"volume_molar": 19.157590195263037,
"formula_full": "Cs6 Ag4 Sb6 S16",
"formula_reduced": "Cs3Ag2Sb3S8",
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"energy": -133.59523004,
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"updated_at": "2021-11-28T01:36:58.965000Z",
"spacegroup": 11
},
{
"id": "mp-1191561",
"created_at": "2022-09-04T14:45:29.839425Z",
"structure_string": "Tb2 Fe12 P7\n1.0\n0.000000 0.000000 -3.637269\n-4.484461 -7.763722 0.000000\n-4.491417 7.767742 0.000000\nTb Fe P\n2 12 7\ndirect\n0.000000 0.666691 0.333348 Tb\n0.500000 0.333370 0.666513 Tb\n0.000000 0.372914 0.944939 Fe\n0.000000 0.055163 0.427809 Fe\n0.000000 0.572399 0.627452 Fe\n0.000000 0.880738 0.725569 Fe\n0.000000 0.274061 0.154653 Fe\n0.000000 0.844894 0.119312 Fe\n0.500000 0.951761 0.568770 Fe\n0.500000 0.431357 0.383173 Fe\n0.500000 0.616683 0.048131 Fe\n0.500000 0.120307 0.903071 Fe\n0.500000 0.096915 0.217361 Fe\n0.500000 0.782679 0.879540 Fe\n0.000000 0.113222 0.704206 P\n0.000000 0.295893 0.408894 P\n0.000000 0.591236 0.886877 P\n0.500000 0.709958 0.599225 P\n0.500000 0.400702 0.111215 P\n0.500000 0.889048 0.289921 P\n0.000000 0.000009 0.000020 P\n",
"nsites": 21,
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"elements": [
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"Fe",
"P"
],
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"density": 7.890997722869648,
"density_atomic": 0.08282942012173171,
"volume": 253.53310416923097,
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"formula_full": "Tb2 Fe12 P7",
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"spacegroup": 174
},
{
"id": "mp-1183803",
"created_at": "2022-09-04T14:45:30.038177Z",
"structure_string": "Ce1 Dy1 Mg2\n1.0\n0.000000 3.813561 3.813561\n3.813561 0.000000 3.813561\n3.813561 3.813561 0.000000\nCe Dy Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Dy\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
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"volume": 110.92312296419415,
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"formula_full": "Ce1 Dy1 Mg2",
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{
"id": "mp-1522359",
"created_at": "2022-09-04T14:45:29.710494Z",
"structure_string": "Sr8 Gd4 W4 O24\n1.0\n8.413968 0.000000 0.000000\n-0.000000 8.413968 -0.000000\n0.000000 0.000000 8.413968\nSr Gd W O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Sr\n-0.000000 -0.000000 -0.000000 Sr\n-0.000000 -0.000000 0.500000 Sr\n-0.000000 0.500000 0.000000 Sr\n0.500000 -0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 -0.000000 0.500000 Sr\n-0.000000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Gd\n0.750000 0.250000 0.250000 Gd\n0.250000 0.750000 0.250000 Gd\n0.250000 0.250000 0.750000 Gd\n0.250000 0.250000 0.250000 W\n0.250000 0.750000 0.750000 W\n0.750000 0.250000 0.750000 W\n0.750000 0.750000 0.250000 W\n0.214872 0.287200 0.484133 O\n0.214872 0.712800 0.515867 O\n0.785128 0.287200 0.515867 O\n0.785128 0.712800 0.484133 O\n0.287200 0.484133 0.214872 O\n0.712800 0.515867 0.214872 O\n0.287200 0.515867 0.785128 O\n0.712800 0.484133 0.785128 O\n0.484133 0.214872 0.287200 O\n0.515867 0.214872 0.712800 O\n0.515867 0.785128 0.287200 O\n0.484133 0.785128 0.712800 O\n0.285128 0.212800 0.015867 O\n0.285128 0.787200 0.984133 O\n0.714872 0.212800 0.984133 O\n0.714872 0.787200 0.015867 O\n0.212800 0.015867 0.285128 O\n0.787200 0.984133 0.285128 O\n0.212800 0.984133 0.714872 O\n0.787200 0.015867 0.714872 O\n0.015867 0.285128 0.212800 O\n0.984133 0.285128 0.787200 O\n0.984133 0.714872 0.212800 O\n0.015867 0.714872 0.787200 O\n",
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"formula_full": "Sr8 Gd4 W4 O24",
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{
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"structure_string": "Sr3 Bi1 Sb1\n1.0\n6.216867 0.000000 0.000000\n0.000000 6.216867 0.000000\n0.000000 0.000000 6.216867\nSr Bi Sb\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 Sb\n",
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{
"id": "mp-757148",
"created_at": "2022-09-04T14:45:29.726776Z",
"structure_string": "Li5 Fe5 Cu2 O12\n1.0\n4.383140 2.694991 0.000000\n-4.383140 2.694991 0.000000\n0.000000 1.049322 9.735126\nLi Fe Cu O\n5 5 2 12\ndirect\n0.835627 0.651351 0.263950 Li\n0.678887 0.858444 0.737288 Li\n0.348649 0.164373 0.736050 Li\n0.141556 0.321113 0.262712 Li\n0.081234 0.918766 0.500000 Li\n0.916612 0.083388 0.000000 Fe\n0.000779 0.507339 0.739866 Fe\n0.492661 0.999221 0.260134 Fe\n0.583477 0.416523 0.000000 Fe\n0.415516 0.584484 0.500000 Fe\n0.749550 0.250450 0.500000 Cu\n0.250860 0.749140 0.000000 Cu\n0.050974 0.233031 0.617487 O\n0.766969 0.949026 0.382513 O\n0.833293 0.332695 0.130624 O\n0.667305 0.166707 0.869376 O\n0.702703 0.531674 0.621790 O\n0.468326 0.297297 0.378210 O\n0.562464 0.733351 0.110583 O\n0.266649 0.437536 0.889417 O\n0.342661 0.829106 0.636526 O\n0.170894 0.657339 0.363474 O\n0.230332 0.057976 0.113419 O\n0.942024 0.769668 0.886581 O\n",
"nsites": 24,
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{
"id": "mp-976256",
"created_at": "2022-09-04T14:45:29.739665Z",
"structure_string": "Li3 Mg1\n1.0\n0.000000 3.425232 3.425232\n3.425232 0.000000 3.425232\n3.425232 3.425232 0.000000\nLi Mg\n3 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Mg\n",
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{
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},
{
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{
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}