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{
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{
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{
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"structure_string": "Sr12 Mg12 F48\n1.0\n17.113055 0.000000 0.000000\n0.000000 7.641522 0.000000\n0.000000 2.032068 7.641711\nSr Mg F\n12 12 48\ndirect\n0.001213 0.840755 0.663941 Sr\n0.831183 0.151090 0.838115 Sr\n0.985671 0.795631 0.179902 Sr\n0.166863 0.166524 0.834604 Sr\n0.648694 0.777609 0.680747 Sr\n0.148694 0.222391 0.319253 Sr\n0.485671 0.204369 0.820098 Sr\n0.666863 0.833476 0.165396 Sr\n0.331183 0.848910 0.161885 Sr\n0.322910 0.817779 0.667712 Sr\n0.501213 0.159245 0.336059 Sr\n0.822910 0.182221 0.332288 Sr\n0.144518 0.669383 0.457225 Mg\n0.976694 0.341095 0.541772 Mg\n0.142450 0.670506 0.957134 Mg\n0.642450 0.329494 0.042866 Mg\n0.308951 0.332585 0.540243 Mg\n0.809430 0.661156 0.956940 Mg\n0.476694 0.658905 0.458228 Mg\n0.977184 0.338100 0.038148 Mg\n0.309430 0.338844 0.043060 Mg\n0.644518 0.330617 0.542775 Mg\n0.477184 0.661900 0.961852 Mg\n0.808951 0.667415 0.459757 Mg\n0.913030 0.108789 0.587736 F\n0.196143 0.428597 0.547100 F\n0.078201 0.900054 0.925354 F\n0.402160 0.171872 0.096473 F\n0.575911 0.791089 0.944482 F\n0.131439 0.623615 0.217990 F\n0.309861 0.281545 0.805729 F\n0.955447 0.332428 0.791320 F\n0.244865 0.791766 0.411936 F\n0.413030 0.891211 0.412264 F\n0.696143 0.571403 0.452900 F\n0.744212 0.900996 0.423656 F\n0.867105 0.433497 0.050929 F\n0.028945 0.577887 0.959453 F\n0.870257 0.447266 0.469643 F\n0.809861 0.718455 0.194271 F\n0.242566 0.111189 0.122118 F\n0.294943 0.372941 0.282897 F\n0.202671 0.448027 0.980375 F\n0.744865 0.208234 0.588064 F\n0.236949 0.835407 0.927251 F\n0.416871 0.903598 0.887738 F\n0.992684 0.340155 0.290469 F\n0.578201 0.099946 0.074646 F\n0.492684 0.659845 0.709531 F\n0.631439 0.376385 0.782010 F\n0.702671 0.551973 0.019625 F\n0.736949 0.164593 0.072749 F\n0.244212 0.099004 0.576344 F\n0.533114 0.426156 0.497519 F\n0.075911 0.208911 0.055518 F\n0.404675 0.181468 0.562769 F\n0.794943 0.627059 0.717103 F\n0.068932 0.171875 0.596633 F\n0.140667 0.715546 0.696208 F\n0.640667 0.284454 0.303792 F\n0.902160 0.828128 0.903527 F\n0.582263 0.091798 0.624976 F\n0.367105 0.566503 0.949071 F\n0.916871 0.096402 0.112262 F\n0.904675 0.818532 0.437231 F\n0.568932 0.828125 0.403367 F\n0.742566 0.888811 0.877882 F\n0.370257 0.552734 0.530357 F\n0.033114 0.573844 0.502481 F\n0.455447 0.667572 0.208680 F\n0.082263 0.908202 0.375024 F\n0.528945 0.422113 0.040547 F\n",
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"structure_string": "Li8 Mn6 O14\n1.0\n3.000332 0.000000 0.000000\n1.155378 4.970525 0.000000\n0.801814 1.313659 17.440314\nLi Mn O\n8 6 14\ndirect\n0.628079 0.227017 0.785612 Li\n0.072512 0.356005 0.643194 Li\n0.500000 0.500000 0.500000 Li\n0.927488 0.643995 0.356806 Li\n0.371921 0.772983 0.214388 Li\n0.757046 0.940369 0.062148 Li\n0.242954 0.059631 0.937852 Li\n0.500000 0.500000 0.000000 Li\n0.932517 0.642436 0.862667 Mn\n0.067483 0.357564 0.137333 Mn\n0.370617 0.777873 0.715792 Mn\n0.786813 0.927824 0.572068 Mn\n0.213187 0.072176 0.427932 Mn\n0.629383 0.222127 0.284208 Mn\n0.336106 0.889830 0.821770 O\n0.692060 0.056221 0.676401 O\n0.114419 0.201757 0.531906 O\n0.542829 0.346104 0.388688 O\n0.969772 0.487885 0.245426 O\n0.479081 0.598010 0.112133 O\n0.850532 0.788199 0.955029 O\n0.030228 0.512115 0.754574 O\n0.457171 0.653896 0.611312 O\n0.885581 0.798243 0.468094 O\n0.307940 0.943779 0.323599 O\n0.663894 0.110170 0.178230 O\n0.149468 0.211801 0.044971 O\n0.520919 0.401990 0.887867 O\n",
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],
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"formula_full": "Li8 Mn6 O14",
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{
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"structure_string": "Co8 P8 H32 Cl8 O24\n1.0\n7.466098 0.000000 0.000000\n0.000000 9.561864 0.000000\n0.000000 0.000000 13.403546\nCo P H Cl O\n8 8 32 8 24\ndirect\n0.618508 0.354814 0.501212 Co\n0.118508 0.645186 0.998788 Co\n0.381492 0.145186 0.001212 Co\n0.881492 0.854814 0.498788 Co\n0.381492 0.645186 0.498788 Co\n0.881492 0.354814 0.001212 Co\n0.618508 0.854814 0.998788 Co\n0.118508 0.145186 0.501212 Co\n0.725074 0.110141 0.151444 P\n0.225074 0.889859 0.348556 P\n0.274926 0.389859 0.651444 P\n0.774926 0.610141 0.848556 P\n0.274926 0.889859 0.848556 P\n0.774926 0.110141 0.651444 P\n0.725074 0.610141 0.348556 P\n0.225074 0.389859 0.151444 P\n0.798777 0.010072 0.216833 H\n0.298777 0.989928 0.283167 H\n0.201223 0.489928 0.716833 H\n0.701223 0.510072 0.783167 H\n0.201223 0.989928 0.783167 H\n0.701223 0.010072 0.716833 H\n0.798777 0.510072 0.283167 H\n0.298777 0.489928 0.216833 H\n0.631907 0.207044 0.211628 H\n0.131907 0.792956 0.288372 H\n0.368093 0.292956 0.711628 H\n0.868093 0.707044 0.788372 H\n0.368093 0.792956 0.788372 H\n0.868093 0.207044 0.711628 H\n0.631907 0.707044 0.288372 H\n0.131907 0.292956 0.211628 H\n0.071522 0.076894 0.088880 H\n0.571522 0.923106 0.411120 H\n0.928478 0.423106 0.588880 H\n0.428478 0.576894 0.911120 H\n0.928478 0.923106 0.911120 H\n0.428478 0.076894 0.588880 H\n0.071522 0.576894 0.411120 H\n0.571522 0.423106 0.088880 H\n0.206160 0.943268 0.094738 H\n0.706160 0.056732 0.405262 H\n0.793840 0.556732 0.594738 H\n0.293840 0.443268 0.905262 H\n0.793840 0.056732 0.905262 H\n0.293840 0.943268 0.594738 H\n0.206160 0.443268 0.405262 H\n0.706160 0.556732 0.094738 H\n0.375241 0.237750 0.400949 Cl\n0.875241 0.762250 0.099051 Cl\n0.624759 0.262250 0.900949 Cl\n0.124759 0.737750 0.599051 Cl\n0.624759 0.762250 0.599051 Cl\n0.124759 0.237750 0.900949 Cl\n0.375241 0.737750 0.099051 Cl\n0.875241 0.262250 0.400949 Cl\n0.584438 0.036434 0.085642 O\n0.084438 0.963566 0.414358 O\n0.415562 0.463566 0.585642 O\n0.915562 0.536434 0.914358 O\n0.415562 0.963566 0.914358 O\n0.915562 0.036434 0.585642 O\n0.584438 0.536434 0.414358 O\n0.084438 0.463566 0.085642 O\n0.198097 0.045841 0.095545 O\n0.698097 0.954159 0.404455 O\n0.801903 0.454159 0.595545 O\n0.301903 0.545841 0.904455 O\n0.801903 0.954159 0.904455 O\n0.301903 0.045841 0.595545 O\n0.198097 0.545841 0.404455 O\n0.698097 0.454159 0.095545 O\n0.880451 0.180948 0.096161 O\n0.380451 0.819052 0.403839 O\n0.119549 0.319052 0.596161 O\n0.619549 0.680948 0.903839 O\n0.119549 0.819052 0.903839 O\n0.619549 0.180948 0.596161 O\n0.880451 0.680948 0.403839 O\n0.380451 0.319052 0.096161 O\n",
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"elements": [
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"O"
],
"chemical_system": "Cl-Co-H-O-P",
"density": 2.4627031012370235,
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"volume": 956.8766516807377,
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"formula_full": "Co8 P8 H32 Cl8 O24",
"formula_reduced": "CoPH4ClO3",
"formula_anonymous": "ABCD3E4",
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"updated_at": "2021-11-28T01:34:24.897000Z",
"spacegroup": 61
},
{
"id": "mp-1224585",
"created_at": "2022-09-04T14:39:48.648258Z",
"structure_string": "In2 Hg8 As5 Br7\n1.0\n4.057143 -7.027178 0.000000\n4.057143 7.027178 0.000000\n0.000000 0.000000 14.092188\nIn Hg As Br\n2 8 5 7\ndirect\n0.000000 0.000000 0.312938 In\n0.000000 0.000000 0.687062 In\n0.666667 0.333333 0.249246 Hg\n0.333333 0.666667 0.750754 Hg\n0.500000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.000000 0.500000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.500000 0.000000 0.000000 Hg\n0.000000 0.500000 0.000000 Hg\n0.666667 0.333333 0.430405 As\n0.333333 0.666667 0.569595 As\n0.333333 0.666667 0.932216 As\n0.666667 0.333333 0.067784 As\n0.000000 0.000000 0.500000 As\n0.172060 0.344120 0.250395 Br\n0.655880 0.827940 0.250395 Br\n0.172060 0.827940 0.250395 Br\n0.827940 0.655880 0.749605 Br\n0.344120 0.172060 0.749605 Br\n0.827940 0.172060 0.749605 Br\n0.000000 0.000000 0.000000 Br\n",
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],
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"volume": 803.5440577187118,
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"formula_full": "In2 Hg8 As5 Br7",
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]
}