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{
"id": "mp-1233170",
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"structure_string": "Mg1 Fe8 O14 F2\n1.0\n5.096625 -0.602554 0.028272\n-0.594581 5.118716 -0.024787\n0.074358 -0.062256 11.659218\nMg Fe O F\n1 8 14 2\ndirect\n0.685056 0.304709 0.007633 Mg\n0.030130 0.965206 0.008710 Fe\n0.996905 0.001941 0.252968 Fe\n0.011738 0.036948 0.497452 Fe\n0.000163 0.989464 0.742155 Fe\n0.413229 0.595186 0.141330 Fe\n0.574593 0.404363 0.632431 Fe\n0.407544 0.586987 0.864195 Fe\n0.581052 0.403016 0.364192 Fe\n0.176333 0.820006 0.138148 O\n0.153185 0.864069 0.611038 O\n0.171235 0.822018 0.874549 O\n0.147738 0.870541 0.377041 O\n0.301378 0.320419 0.999206 O\n0.308053 0.299281 0.247313 O\n0.343156 0.303744 0.497331 O\n0.300631 0.304369 0.752253 O\n0.676875 0.689629 -0.000129 O\n0.698288 0.692614 0.254314 O\n0.687043 0.689959 0.748156 O\n0.850193 0.138443 0.122080 O\n0.832878 0.177153 0.373074 O\n0.826306 0.180024 0.619461 O\n0.709964 0.669995 0.498571 F\n0.824665 0.161589 0.876527 F\n",
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{
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"structure_string": "Li8 Al6 Si6 Cl2 O24\n1.0\n8.532217 0.000000 0.000000\n0.000000 8.532217 0.000000\n0.000000 0.000000 8.532217\nLi Al Si Cl O\n8 6 6 2 24\ndirect\n0.174273 0.174273 0.174273 Li\n0.674273 0.674273 0.674273 Li\n0.825727 0.174273 0.825727 Li\n0.325727 0.674273 0.325727 Li\n0.325727 0.325727 0.674273 Li\n0.674273 0.325727 0.325727 Li\n0.825727 0.825727 0.174273 Li\n0.174273 0.825727 0.825727 Li\n0.000000 0.750000 0.500000 Al\n0.250000 0.500000 0.000000 Al\n0.500000 0.000000 0.750000 Al\n0.500000 0.000000 0.250000 Al\n0.000000 0.250000 0.500000 Al\n0.750000 0.500000 0.000000 Al\n0.750000 0.000000 0.500000 Si\n0.500000 0.250000 0.000000 Si\n0.000000 0.500000 0.750000 Si\n0.000000 0.500000 0.250000 Si\n0.500000 0.750000 0.000000 Si\n0.250000 0.000000 0.500000 Si\n0.500000 0.500000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.643833 0.908856 0.632413 O\n0.643833 0.091144 0.367587 O\n0.908856 0.632413 0.643833 O\n0.091144 0.632413 0.356167 O\n0.632413 0.643833 0.908856 O\n0.367587 0.356167 0.908856 O\n0.856167 0.867587 0.408856 O\n0.856167 0.132413 0.591144 O\n0.143833 0.867587 0.591144 O\n0.132413 0.591144 0.856167 O\n0.591144 0.143833 0.867587 O\n0.591144 0.856167 0.132413 O\n0.867587 0.408856 0.856167 O\n0.408856 0.856167 0.867587 O\n0.143833 0.132413 0.408856 O\n0.356167 0.908856 0.367587 O\n0.356167 0.091144 0.632413 O\n0.091144 0.367587 0.643833 O\n0.908856 0.367587 0.356167 O\n0.632413 0.356167 0.091144 O\n0.367587 0.643833 0.091144 O\n0.408856 0.143833 0.132413 O\n0.132413 0.408856 0.143833 O\n0.867587 0.591144 0.143833 O\n",
"nsites": 46,
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"volume_molar": 8.131651312788073,
"formula_full": "Li8 Al6 Si6 Cl2 O24",
"formula_reduced": "Li4Al3Si3ClO12",
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"spacegroup": 218
},
{
"id": "mp-1069558",
"created_at": "2022-09-04T14:40:26.377164Z",
"structure_string": "Ce2 Se1 N2\n1.0\n1.969191 -3.410740 0.000000\n1.969191 3.410740 0.000000\n0.000000 0.000000 7.010322\nCe Se N\n2 1 2\ndirect\n0.666667 0.333333 0.703093 Ce\n0.333333 0.666667 0.296907 Ce\n0.000000 0.000000 0.000000 Se\n0.666667 0.333333 0.375115 N\n0.333333 0.666667 0.624885 N\n",
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"formula_full": "Ce2 Se1 N2",
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{
"id": "mp-1174298",
"created_at": "2022-09-04T14:40:26.376367Z",
"structure_string": "Li8 Co6 O14\n1.0\n-2.872523 0.000000 0.000000\n-0.141468 -8.319792 0.000000\n1.070599 2.138876 10.265923\nLi Co O\n8 6 14\ndirect\n0.284004 0.144112 0.569696 Li\n0.568191 0.300427 0.137744 Li\n0.869657 0.425784 0.720231 Li\n0.715996 0.855888 0.430304 Li\n0.000000 0.000000 0.000000 Li\n0.130343 0.574216 0.279769 Li\n0.431809 0.699573 0.862256 Li\n0.000000 0.500000 0.000000 Li\n0.425575 0.225482 0.860682 Co\n0.574425 0.774518 0.139318 Co\n0.712450 0.357267 0.425314 Co\n0.287550 0.642733 0.574686 Co\n0.861013 0.932485 0.717546 Co\n0.138987 0.067515 0.282454 Co\n0.875996 0.180847 0.731757 O\n0.122817 0.317464 0.288317 O\n0.429571 0.439633 0.856092 O\n0.275590 0.895286 0.582126 O\n0.557558 0.018950 0.148890 O\n0.702734 0.608803 0.440052 O\n0.015559 0.754931 0.016887 O\n0.724410 0.104714 0.417874 O\n0.984441 0.245069 0.983113 O\n0.297266 0.391197 0.559948 O\n0.124004 0.819153 0.268243 O\n0.442442 0.981050 0.851110 O\n0.570429 0.560367 0.143908 O\n0.877183 0.682536 0.711683 O\n",
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],
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"volume": 245.3431777158391,
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"formula_full": "Li8 Co6 O14",
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{
"id": "mp-779538",
"created_at": "2022-09-04T14:40:26.365729Z",
"structure_string": "Fe10 O14 F6\n1.0\n4.686013 0.000000 0.000000\n-0.233370 4.683069 0.000000\n-0.053253 -0.008097 15.153553\nFe O F\n10 14 6\ndirect\n0.004570 0.997103 0.998345 Fe\n0.003226 0.003413 0.799489 Fe\n0.984464 0.971243 0.596534 Fe\n0.005399 0.002374 0.409299 Fe\n0.007487 0.994636 0.196343 Fe\n0.531474 0.469753 0.901250 Fe\n0.512251 0.504516 0.495011 Fe\n0.475933 0.538240 0.705059 Fe\n0.504588 0.499036 0.298621 Fe\n0.475413 0.526013 0.100117 Fe\n0.176169 0.817813 0.701751 O\n0.197432 0.796794 0.500856 O\n0.182185 0.818963 0.097232 O\n0.697688 0.689426 0.999853 O\n0.701463 0.693171 0.803921 O\n0.673960 0.685219 0.601572 O\n0.702494 0.694009 0.392066 O\n0.689655 0.697565 0.201034 O\n0.311514 0.303751 0.999923 O\n0.311415 0.306132 0.802192 O\n0.314061 0.306149 0.394605 O\n0.305159 0.312729 0.201187 O\n0.826344 0.178408 0.900342 O\n0.802547 0.191988 0.502071 O\n0.208845 0.796692 0.900011 F\n0.195062 0.811592 0.299262 F\n0.290222 0.301635 0.603727 F\n0.793387 0.200015 0.699631 F\n0.799530 0.201505 0.100358 F\n0.816063 0.190118 0.298343 F\n",
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{
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{
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{
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"structure_string": "Rb1 Al1 Mo2 O8\n1.0\n2.826837 -4.896225 0.000000\n2.826837 4.896225 0.000000\n0.000000 0.000000 7.475997\nRb Al Mo O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Al\n0.333333 0.666667 0.275005 Mo\n0.666667 0.333333 0.724995 Mo\n0.157686 0.842314 0.349468 O\n0.842314 0.157686 0.650532 O\n0.157686 0.315372 0.349468 O\n0.842314 0.684628 0.650532 O\n0.684628 0.842314 0.349468 O\n0.315372 0.157686 0.650532 O\n0.333333 0.666667 0.040897 O\n0.666667 0.333333 0.959103 O\n",
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{
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"structure_string": "V2 Co3 Te3 O16\n1.0\n3.061163 5.355892 0.000000\n-3.061163 5.355892 0.000000\n0.000000 0.235780 9.212379\nV Co Te O\n2 3 3 16\ndirect\n0.681267 0.681267 0.494294 V\n0.357883 0.357883 0.037613 V\n0.826752 0.826752 0.795022 Co\n0.171193 0.670344 0.300553 Co\n0.670344 0.171193 0.300553 Co\n0.328491 0.825950 0.785317 Te\n0.825950 0.328491 0.785317 Te\n0.171496 0.171496 0.288407 Te\n0.352460 0.842134 0.398578 O\n0.514271 0.514271 0.659240 O\n0.646935 0.646935 0.904877 O\n0.002577 0.002577 0.675104 O\n0.010103 0.010103 0.199292 O\n0.842134 0.352460 0.398578 O\n0.506819 0.944563 0.665451 O\n0.944563 0.506819 0.665451 O\n0.154766 0.154766 0.892983 O\n0.824314 0.824314 0.406280 O\n0.052710 0.464462 0.149299 O\n0.464462 0.052710 0.149299 O\n0.325584 0.325584 0.397705 O\n0.172405 0.669208 0.893288 O\n0.482234 0.482234 0.148877 O\n0.669208 0.172405 0.893288 O\n",
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{
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