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{
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"structure_string": "Mg12 V2 Fe2\n1.0\n4.858534 0.000000 0.000000\n0.000000 6.092171 0.000000\n0.000000 0.000000 10.589824\nMg V Fe\n12 2 2\ndirect\n0.500000 0.250642 0.420548 Mg\n0.500000 0.749358 0.420548 Mg\n0.000000 0.752650 0.087254 Mg\n0.000000 0.247350 0.087254 Mg\n0.000000 0.000000 0.321066 Mg\n0.000000 0.500000 0.325403 Mg\n0.500000 0.750642 0.920548 Mg\n0.500000 0.249358 0.920548 Mg\n0.000000 0.252650 0.587254 Mg\n0.000000 0.747350 0.587254 Mg\n0.000000 0.500000 0.821066 Mg\n0.000000 0.000000 0.825403 Mg\n0.500000 0.500000 0.169972 V\n0.500000 0.000000 0.669972 V\n0.500000 0.000000 0.167950 Fe\n0.500000 0.500000 0.667950 Fe\n",
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{
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"structure_string": "Ta20 Al10\n1.0\n9.922395 0.000000 0.000000\n0.000000 9.922395 0.000000\n0.000000 0.000000 5.413832\nTa Al\n20 10\ndirect\n0.311407 0.311407 0.248362 Ta\n0.937786 0.737000 0.500000 Ta\n0.263000 0.062214 0.500000 Ta\n0.437786 0.763000 0.000000 Ta\n0.811407 0.188593 0.748362 Ta\n0.403186 0.596814 0.500000 Ta\n0.562214 0.237000 0.000000 Ta\n0.811407 0.188593 0.251638 Ta\n0.188593 0.811407 0.748362 Ta\n0.311407 0.311407 0.751638 Ta\n0.903186 0.903186 0.000000 Ta\n0.062214 0.263000 0.500000 Ta\n0.237000 0.562214 0.000000 Ta\n0.688593 0.688593 0.751638 Ta\n0.096814 0.096814 0.000000 Ta\n0.596814 0.403186 0.500000 Ta\n0.763000 0.437786 0.000000 Ta\n0.188593 0.811407 0.251638 Ta\n0.688593 0.688593 0.248362 Ta\n0.737000 0.937786 0.500000 Ta\n0.363905 0.034701 0.000000 Al\n0.965299 0.636095 0.000000 Al\n0.136095 0.534701 0.500000 Al\n0.534701 0.136095 0.500000 Al\n0.465299 0.863905 0.500000 Al\n0.034701 0.363905 0.000000 Al\n0.636095 0.965299 0.000000 Al\n0.863905 0.465299 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n",
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{
"id": "mp-1176088",
"created_at": "2022-09-04T14:46:59.384385Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.947507 0.000000 0.000000\n1.142807 9.688756 0.000000\n0.436563 0.732098 10.114491\nLi Mn Co O\n9 2 5 16\ndirect\n0.877089 0.249814 0.813125 Li\n0.111865 0.755263 0.680818 Li\n0.366702 0.248922 0.556396 Li\n0.618045 0.757790 0.440864 Li\n0.881502 0.248750 0.310911 Li\n0.129191 0.751007 0.190717 Li\n0.375695 0.252104 0.064397 Li\n0.636805 0.742734 0.939384 Li\n0.016174 0.990876 0.501490 Li\n0.993801 0.002501 0.002685 Mn\n0.495239 0.998840 0.741705 Mn\n0.249535 0.500415 0.874692 Co\n0.751453 0.496908 0.623090 Co\n0.248870 0.498341 0.375112 Co\n0.507402 0.001564 0.261868 Co\n0.749186 0.504334 0.127038 Co\n0.405988 0.115361 0.901861 O\n0.681681 0.613850 0.785385 O\n0.961320 0.109442 0.665781 O\n0.185874 0.610187 0.528786 O\n0.439840 0.114840 0.388154 O\n0.656187 0.613481 0.284625 O\n0.916912 0.115731 0.156521 O\n0.187879 0.619435 0.033765 O\n0.322167 0.383110 0.714015 O\n0.564243 0.881046 0.607287 O\n0.841623 0.380925 0.464980 O\n0.090038 0.884713 0.335380 O\n0.305905 0.389946 0.220291 O\n0.581225 0.888951 0.101447 O\n0.823597 0.385533 0.968067 O\n0.026967 0.893289 0.839364 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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{
"id": "mp-1194329",
"created_at": "2022-09-04T14:46:56.308950Z",
"structure_string": "Fe4 Te6 O20\n1.0\n0.151934 -0.056867 -7.730125\n8.000696 0.170957 -0.856973\n-0.894261 -7.869856 0.905192\nFe Te O\n4 6 20\ndirect\n0.962962 0.808238 0.028728 Fe\n0.037038 0.191762 0.971272 Fe\n0.523660 0.690186 0.466857 Fe\n0.476340 0.309814 0.533143 Fe\n0.149489 0.480625 0.287369 Te\n0.850511 0.519375 0.712631 Te\n0.208759 0.969413 0.349217 Te\n0.791241 0.030587 0.650783 Te\n0.311414 0.855235 0.837034 Te\n0.688586 0.144765 0.162966 Te\n0.154306 0.991188 0.108237 O\n0.845694 0.008812 0.891763 O\n0.817531 0.937903 0.204918 O\n0.182469 0.062097 0.795082 O\n0.108745 0.706093 0.222596 O\n0.891255 0.293907 0.777404 O\n0.819098 0.630914 0.932821 O\n0.180902 0.369086 0.067179 O\n0.121634 0.729387 0.843259 O\n0.878366 0.270613 0.156741 O\n0.436949 0.863045 0.316585 O\n0.563051 0.136955 0.683415 O\n0.331891 0.786900 0.595888 O\n0.668109 0.213100 0.404112 O\n0.717683 0.798005 0.611575 O\n0.282317 0.201995 0.388425 O\n0.398026 0.491973 0.356012 O\n0.601974 0.508027 0.643988 O\n0.714239 0.618389 0.355458 O\n0.285761 0.381611 0.644542 O\n",
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"elements": [
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],
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"density": 4.482489733802505,
"density_atomic": 0.06186748066005182,
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"formula_full": "Fe4 Te6 O20",
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{
"id": "mp-1101335",
"created_at": "2022-09-04T14:46:55.412803Z",
"structure_string": "Ti3 Cr2 Cu1 P6 O24\n1.0\n8.585424 -0.058266 -0.041126\n4.273353 7.446567 -0.041126\n4.273352 2.455351 7.030241\nTi Cr Cu P O\n3 2 1 6 24\ndirect\n0.144887 0.144887 0.144887 Ti\n0.354485 0.354485 0.354485 Ti\n0.646262 0.646262 0.646262 Ti\n0.997332 0.997332 0.997332 Cr\n0.498777 0.498777 0.498777 Cr\n0.851696 0.851696 0.851696 Cu\n0.045806 0.753674 0.453251 P\n0.453251 0.045806 0.753674 P\n0.251521 0.545164 0.955834 P\n0.545164 0.955834 0.251521 P\n0.955834 0.251521 0.545164 P\n0.753674 0.453251 0.045806 P\n0.113416 0.327945 0.485299 O\n0.327945 0.485299 0.113416 O\n0.057019 0.912740 0.252605 O\n0.485299 0.113416 0.327945 O\n0.019051 0.817682 0.600739 O\n0.239740 0.588255 0.427607 O\n0.252605 0.057019 0.912740 O\n0.427607 0.239740 0.588255 O\n0.187702 0.381123 0.001514 O\n0.588255 0.427607 0.239740 O\n0.095583 0.737200 0.951497 O\n0.381123 0.001514 0.187702 O\n0.600739 0.019051 0.817682 O\n0.912740 0.252605 0.057019 O\n0.415287 0.554730 0.761733 O\n0.817682 0.600739 0.019051 O\n0.554730 0.761733 0.415287 O\n0.737200 0.951497 0.095583 O\n0.761733 0.415287 0.554730 O\n0.001514 0.187702 0.381123 O\n0.502173 0.879408 0.691265 O\n0.951497 0.095583 0.737200 O\n0.691265 0.502173 0.879408 O\n0.879408 0.691265 0.502173 O\n",
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"formula_full": "Ti3 Cr2 Cu1 P6 O24",
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{
"id": "mp-1306312",
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"structure_string": "Li4 Ti2 V6 O16\n1.0\n6.036711 -0.054092 0.025561\n-0.043147 6.798271 4.851607\n0.052905 -3.469369 4.952090\nLi Ti V O\n4 2 6 16\ndirect\n0.253890 0.125990 0.006601 Li\n0.753545 0.626016 0.507897 Li\n0.746473 0.873992 0.992072 Li\n0.246122 0.373986 0.493324 Li\n0.000457 0.498682 0.000430 Ti\n0.499485 0.001350 0.499784 Ti\n0.250031 0.750064 0.749923 V\n0.750004 0.249945 0.749885 V\n0.249996 0.749968 0.249955 V\n0.499076 0.499952 0.000574 V\n0.000881 0.000085 0.499479 V\n0.749964 0.249840 0.250100 V\n0.530142 0.259868 0.005857 O\n0.029660 0.760387 0.508170 O\n0.470357 0.739620 0.991901 O\n0.969835 0.240153 0.494120 O\n0.757733 0.480466 0.232383 O\n0.259451 0.981307 0.730945 O\n0.757947 0.491395 0.782152 O\n0.258252 0.992170 0.281466 O\n0.980676 0.264655 0.007123 O\n0.476557 0.763422 0.504110 O\n0.023477 0.736573 0.995909 O\n0.519342 0.235369 0.492852 O\n0.241730 0.507884 0.218524 O\n0.742048 0.008654 0.717844 O\n0.240581 0.518647 0.769037 O\n0.742290 0.019559 0.267584 O\n",
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{
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"structure_string": "K8 P8 H16 O28\n1.0\n0.000000 -7.836889 0.000000\n-10.171352 0.000000 0.496091\n0.111835 0.000000 -10.375982\nK P H O\n8 8 16 28\ndirect\n0.777222 0.927605 0.893140 K\n0.722778 0.427605 0.393140 K\n0.222778 0.072395 0.106860 K\n0.277222 0.572395 0.606860 K\n0.994351 0.275149 0.772583 K\n0.505649 0.775149 0.272583 K\n0.005649 0.724851 0.227417 K\n0.494351 0.224851 0.727417 K\n0.744459 0.083935 0.209318 P\n0.755541 0.583935 0.709318 P\n0.255541 0.916065 0.790682 P\n0.244459 0.416065 0.290682 P\n0.753708 0.242842 0.073257 P\n0.746292 0.742842 0.573257 P\n0.246292 0.757158 0.926743 P\n0.253708 0.257158 0.426743 P\n0.956507 0.147409 0.346097 H\n0.543493 0.647409 0.846097 H\n0.043493 0.852591 0.653903 H\n0.456507 0.352591 0.153903 H\n0.989624 0.348810 0.142392 H\n0.510376 0.848810 0.642392 H\n0.010376 0.651190 0.857608 H\n0.489624 0.151190 0.357608 H\n0.304147 0.471909 0.882932 H\n0.195853 0.971909 0.382932 H\n0.695853 0.528091 0.117068 H\n0.804147 0.028091 0.617068 H\n0.280355 0.362904 0.978909 H\n0.219645 0.862904 0.478909 H\n0.719645 0.637096 0.021091 H\n0.780355 0.137096 0.521091 H\n0.854522 0.971292 0.155874 O\n0.645478 0.471292 0.655874 O\n0.145478 0.028708 0.844126 O\n0.354522 0.528708 0.344126 O\n0.557629 0.057012 0.239908 O\n0.942371 0.557012 0.739908 O\n0.442371 0.942988 0.760092 O\n0.057629 0.442988 0.260092 O\n0.825213 0.152544 0.340676 O\n0.674787 0.652544 0.840676 O\n0.174787 0.847456 0.659324 O\n0.325213 0.347456 0.159324 O\n0.704566 0.187959 0.940134 O\n0.795434 0.687959 0.440134 O\n0.295434 0.812041 0.059866 O\n0.204566 0.312041 0.559866 O\n0.651964 0.359259 0.135380 O\n0.848036 0.859259 0.635380 O\n0.348036 0.640741 0.864620 O\n0.151964 0.140741 0.364620 O\n0.952024 0.283451 0.068697 O\n0.547976 0.783451 0.568697 O\n0.047976 0.716549 0.931303 O\n0.452024 0.216549 0.431303 O\n0.282386 0.376459 0.885854 O\n0.217614 0.876459 0.385854 O\n0.717614 0.623541 0.114146 O\n0.782386 0.123541 0.614146 O\n",
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{
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"structure_string": "K4 Ni4 P4 O16\n1.0\n4.974722 0.000000 0.000000\n0.000000 8.721531 0.000000\n0.000000 0.000000 9.363030\nK Ni P O\n4 4 4 16\ndirect\n0.519185 0.498994 0.183263 K\n0.019185 0.501006 0.816737 K\n0.019185 0.001006 0.683263 K\n0.519185 0.998994 0.316737 K\n0.998705 0.654579 0.457752 Ni\n0.498705 0.345421 0.542248 Ni\n0.498705 0.845421 0.957752 Ni\n0.998705 0.154579 0.042248 Ni\n0.063667 0.790644 0.125973 P\n0.563667 0.209356 0.874027 P\n0.563667 0.709356 0.625973 P\n0.063667 0.290644 0.374027 P\n0.143676 0.754582 0.281669 O\n0.643676 0.245418 0.718331 O\n0.643676 0.745418 0.781669 O\n0.143676 0.254582 0.218331 O\n0.186185 0.452588 0.415996 O\n0.686185 0.547412 0.584004 O\n0.686185 0.047412 0.915996 O\n0.186185 0.952588 0.084004 O\n0.754658 0.287264 0.387121 O\n0.254658 0.712736 0.612879 O\n0.254658 0.212736 0.887121 O\n0.754658 0.787264 0.112879 O\n0.210524 0.683338 0.017980 O\n0.710524 0.316662 0.982020 O\n0.710524 0.816662 0.517980 O\n0.210524 0.183338 0.482020 O\n",
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