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{
"id": "mp-1211729",
"created_at": "2022-09-04T14:42:23.754245Z",
"structure_string": "K1 Cr2 Fe1 H2 O8\n1.0\n2.772037 5.454547 0.000000\n-2.772037 5.454547 0.000000\n0.000000 3.214974 7.098468\nK Cr Fe H O\n1 2 1 2 8\ndirect\n0.000000 0.000000 0.500000 K\n0.394296 0.394296 0.282102 Cr\n0.605704 0.605704 0.717898 Cr\n0.000000 0.000000 0.000000 Fe\n0.824831 0.824831 0.075810 H\n0.175169 0.175169 0.924190 H\n0.743407 0.228856 0.185429 O\n0.256593 0.771144 0.814571 O\n0.771144 0.256593 0.814571 O\n0.228856 0.743407 0.185429 O\n0.644460 0.644460 0.492930 O\n0.355540 0.355540 0.507070 O\n0.259001 0.259001 0.245490 O\n0.740999 0.740999 0.754510 O\n",
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{
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"structure_string": "Na4 Co2 Si2 C2 O14\n1.0\n6.333862 0.000000 0.000000\n0.000000 5.155384 0.000000\n0.000000 0.331183 9.013678\nNa Co Si C O\n4 2 2 2 14\ndirect\n0.986372 0.762595 0.757295 Na\n0.513628 0.762595 0.757295 Na\n0.486372 0.237405 0.242705 Na\n0.013628 0.237405 0.242705 Na\n0.250000 0.209623 0.657698 Co\n0.750000 0.790377 0.342302 Co\n0.750000 0.288344 0.567674 Si\n0.250000 0.711656 0.432326 Si\n0.250000 0.274405 0.920001 C\n0.750000 0.725595 0.079999 C\n0.750000 0.695678 0.943823 O\n0.250000 0.049658 0.857807 O\n0.250000 0.465066 0.818757 O\n0.954445 0.214766 0.674683 O\n0.545555 0.214766 0.674683 O\n0.250000 0.872895 0.584970 O\n0.750000 0.604315 0.530075 O\n0.250000 0.395685 0.469925 O\n0.750000 0.127105 0.415030 O\n0.454445 0.785234 0.325317 O\n0.045555 0.785234 0.325317 O\n0.750000 0.534934 0.181243 O\n0.750000 0.950342 0.142193 O\n0.250000 0.304322 0.056177 O\n",
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"formula_full": "Na4 Co2 Si2 C2 O14",
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{
"id": "mp-21608",
"created_at": "2022-09-04T14:42:23.581313Z",
"structure_string": "Tm2 Ni21 B6\n1.0\n0.000000 5.316365 5.316365\n5.316365 0.000000 5.316365\n5.316365 5.316365 0.000000\nTm Ni B\n2 21 6\ndirect\n0.250000 0.250000 0.250000 Tm\n0.750000 0.750000 0.750000 Tm\n0.837763 0.387412 0.387412 Ni\n0.162237 0.612588 0.612588 Ni\n0.612588 0.612588 0.612588 Ni\n0.612588 0.612588 0.162237 Ni\n0.387412 0.837763 0.387412 Ni\n0.663030 0.336970 0.000000 Ni\n0.000000 0.336970 0.663030 Ni\n0.387412 0.387412 0.387412 Ni\n0.000000 0.000000 0.336970 Ni\n0.000000 0.000000 0.663030 Ni\n0.000000 0.336970 0.000000 Ni\n0.663030 0.000000 0.336970 Ni\n0.336970 0.000000 0.000000 Ni\n0.000000 0.663030 0.000000 Ni\n0.336970 0.000000 0.663030 Ni\n0.000000 0.663030 0.336970 Ni\n0.336970 0.663030 0.000000 Ni\n0.612588 0.162237 0.612588 Ni\n0.000000 0.000000 0.000000 Ni\n0.663030 0.000000 0.000000 Ni\n0.387412 0.387412 0.837763 Ni\n0.729547 0.729547 0.270453 B\n0.729547 0.270453 0.729547 B\n0.270453 0.729547 0.729547 B\n0.270453 0.270453 0.729547 B\n0.270453 0.729547 0.270453 B\n0.729547 0.270453 0.270453 B\n",
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},
{
"id": "mp-1202892",
"created_at": "2022-09-04T14:42:23.590791Z",
"structure_string": "Mn8 N8 O40\n1.0\n0.000000 -2.987013 0.000000\n-0.011885 0.000000 -14.561124\n15.821417 0.000000 6.873580\nMn N O\n8 8 40\ndirect\n0.791626 0.264106 0.078673 Mn\n0.291626 0.235894 0.921327 Mn\n0.208374 0.735894 0.921327 Mn\n0.708374 0.764106 0.078673 Mn\n0.930944 0.686266 0.422151 Mn\n0.430944 0.813734 0.577849 Mn\n0.069056 0.313734 0.577849 Mn\n0.569056 0.186266 0.422151 Mn\n0.660489 0.600591 0.144756 N\n0.160489 0.899409 0.855244 N\n0.339511 0.399409 0.855244 N\n0.839511 0.100591 0.144756 N\n0.941467 0.460324 0.360254 N\n0.441467 0.039676 0.639746 N\n0.058533 0.539676 0.639746 N\n0.558533 0.960324 0.360254 N\n0.294596 0.340506 0.135986 O\n0.794596 0.159494 0.864014 O\n0.705404 0.659494 0.864014 O\n0.205404 0.840506 0.135986 O\n0.660684 0.696613 0.163132 O\n0.160684 0.803387 0.836868 O\n0.339316 0.303387 0.836868 O\n0.839316 0.196613 0.163132 O\n0.785117 0.538987 0.075246 O\n0.285117 0.961013 0.924754 O\n0.214883 0.461013 0.924754 O\n0.714883 0.038987 0.075246 O\n0.529752 0.573886 0.201424 O\n0.029752 0.926114 0.798576 O\n0.470248 0.426114 0.798576 O\n0.970248 0.073886 0.201424 O\n0.292269 0.183805 0.008767 O\n0.792269 0.316195 0.991233 O\n0.707731 0.816195 0.991233 O\n0.207731 0.683805 0.008767 O\n0.435547 0.705305 0.362992 O\n0.935547 0.794695 0.637008 O\n0.564453 0.294695 0.637008 O\n0.064453 0.205305 0.362992 O\n0.998039 0.538059 0.341437 O\n0.498039 0.961941 0.658563 O\n0.001961 0.461941 0.658563 O\n0.501961 0.038059 0.341437 O\n0.765533 0.468598 0.427617 O\n0.265533 0.031402 0.572383 O\n0.234467 0.531402 0.572383 O\n0.734467 0.968598 0.427617 O\n0.072642 0.378023 0.306940 O\n0.572642 0.121977 0.693060 O\n0.927358 0.621977 0.693060 O\n0.427358 0.878023 0.306940 O\n0.432075 0.676570 0.493921 O\n0.932075 0.823430 0.506079 O\n0.567925 0.323429 0.506079 O\n0.067925 0.176570 0.493921 O\n",
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"volume": 687.8969137403866,
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"formula_full": "Mn8 N8 O40",
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"spacegroup": 14
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{
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"created_at": "2022-09-04T14:42:23.593497Z",
"structure_string": "Li4 Fe4 P16 O48\n1.0\n8.379330 0.000000 0.000000\n0.000000 9.399288 0.000000\n0.000000 0.000000 12.804987\nLi Fe P O\n4 4 16 48\ndirect\n0.002581 0.750000 0.000000 Li\n0.502581 0.750000 0.500000 Li\n0.497419 0.250000 0.500000 Li\n0.997419 0.250000 0.000000 Li\n0.870863 0.750000 0.500000 Fe\n0.129137 0.250000 0.500000 Fe\n0.629137 0.250000 0.000000 Fe\n0.370863 0.750000 0.000000 Fe\n0.467462 0.490111 0.848156 P\n0.532538 0.990111 0.848156 P\n0.967462 0.490111 0.651844 P\n0.177176 0.993958 0.862938 P\n0.177176 0.506042 0.137062 P\n0.822824 0.006042 0.137062 P\n0.467462 0.009889 0.151844 P\n0.532538 0.509889 0.151844 P\n0.032538 0.509889 0.348156 P\n0.967462 0.009889 0.348156 P\n0.322824 0.006042 0.362938 P\n0.677176 0.506042 0.362938 P\n0.322824 0.493958 0.637062 P\n0.677176 0.993958 0.637062 P\n0.032538 0.990111 0.651844 P\n0.822824 0.493958 0.862938 P\n0.872257 0.878741 0.373774 O\n0.467078 0.371772 0.927962 O\n0.532922 0.871772 0.927962 O\n0.809892 0.366637 0.936103 O\n0.190108 0.633363 0.063897 O\n0.809892 0.133363 0.063897 O\n0.467078 0.128228 0.072038 O\n0.532922 0.628228 0.072038 O\n0.093235 0.376646 0.101431 O\n0.906765 0.876646 0.101431 O\n0.372257 0.878741 0.126226 O\n0.627743 0.378741 0.126226 O\n0.352979 0.465289 0.179516 O\n0.647021 0.965289 0.179516 O\n0.097015 0.574524 0.240882 O\n0.902985 0.074524 0.240882 O\n0.402985 0.074524 0.259118 O\n0.597015 0.574524 0.259118 O\n0.147021 0.965289 0.320484 O\n0.852979 0.465289 0.320484 O\n0.127743 0.378741 0.373774 O\n0.190108 0.866637 0.936103 O\n0.406765 0.876646 0.398569 O\n0.593235 0.376646 0.398569 O\n0.032922 0.628228 0.427962 O\n0.967078 0.128228 0.427962 O\n0.309892 0.133363 0.436103 O\n0.690108 0.633363 0.436103 O\n0.309892 0.366637 0.563897 O\n0.690108 0.866637 0.563897 O\n0.032922 0.871772 0.572038 O\n0.967078 0.371772 0.572038 O\n0.406765 0.623354 0.601431 O\n0.593235 0.123354 0.601431 O\n0.127743 0.121259 0.626226 O\n0.872257 0.621259 0.626226 O\n0.147021 0.534711 0.679516 O\n0.852979 0.034711 0.679516 O\n0.402985 0.425476 0.740882 O\n0.597015 0.925476 0.740882 O\n0.097015 0.925476 0.759118 O\n0.902985 0.425476 0.759118 O\n0.352979 0.034711 0.820484 O\n0.647021 0.534711 0.820484 O\n0.372257 0.621259 0.873774 O\n0.906765 0.623354 0.898569 O\n0.093235 0.123354 0.898569 O\n0.627743 0.121259 0.873774 O\n",
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"formula_full": "Li4 Fe4 P16 O48",
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{
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"created_at": "2022-09-04T14:42:23.596892Z",
"structure_string": "Pr1 Ni5\n1.0\n2.485361 -4.304771 0.000000\n2.485361 4.304771 0.000000\n0.000000 0.000000 3.961110\nPr Ni\n1 5\ndirect\n0.000000 0.000000 0.000000 Pr\n0.333333 0.666667 0.000000 Ni\n0.666667 0.333333 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n",
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{
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"structure_string": "Tb1 Ni1 C2\n1.0\n2.260528 -3.009052 0.000000\n2.260528 3.009052 0.000000\n0.000000 0.000000 3.625596\nTb Ni C\n1 1 2\ndirect\n0.999891 0.000109 0.000000 Tb\n0.388366 0.611634 0.500000 Ni\n0.851676 0.451934 0.500000 C\n0.548066 0.148324 0.500000 C\n",
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{
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"structure_string": "Rb4 Ag4 Ge2 S8\n1.0\n11.286766 3.826716 0.000000\n-11.286766 3.826716 0.000000\n0.000000 2.774049 5.767781\nRb Ag Ge S\n4 4 2 8\ndirect\n0.808195 0.191805 0.750000 Rb\n0.061731 0.938269 0.750000 Rb\n0.191805 0.808195 0.250000 Rb\n0.938269 0.061731 0.250000 Rb\n0.684536 0.315464 0.250000 Ag\n0.532440 0.467560 0.250000 Ag\n0.467560 0.532440 0.750000 Ag\n0.315464 0.684536 0.750000 Ag\n0.376812 0.623188 0.250000 Ge\n0.623188 0.376812 0.750000 Ge\n0.516394 0.878022 0.341374 S\n0.766644 0.634277 0.452360 S\n0.233356 0.365723 0.547640 S\n0.483606 0.121978 0.658626 S\n0.365723 0.233356 0.047640 S\n0.121978 0.483606 0.158626 S\n0.878022 0.516394 0.841374 S\n0.634277 0.766644 0.952360 S\n",
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{
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"structure_string": "Ga2 Ge4 Pb3 O14\n1.0\n4.270819 -7.397276 0.000000\n4.270819 7.397276 0.000000\n0.000000 0.000000 5.011016\nGa Ge Pb O\n2 4 3 14\ndirect\n0.666667 0.333333 0.495152 Ga\n0.333333 0.666667 0.504848 Ga\n0.245399 0.000000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.000000 0.245399 0.500000 Ge\n0.754601 0.754601 0.500000 Ge\n0.579132 0.000000 0.000000 Pb\n0.000000 0.579132 0.000000 Pb\n0.420868 0.420868 0.000000 Pb\n0.666667 0.333333 0.852605 O\n0.552811 0.714566 0.665146 O\n0.285434 0.838246 0.665146 O\n0.792377 0.909705 0.232638 O\n0.117328 0.207623 0.232638 O\n0.838246 0.285434 0.334854 O\n0.882672 0.090295 0.767362 O\n0.447189 0.161754 0.334854 O\n0.714566 0.552811 0.334854 O\n0.090295 0.882672 0.232638 O\n0.909705 0.792377 0.767362 O\n0.161754 0.447189 0.665146 O\n0.333333 0.666667 0.147395 O\n0.207623 0.117328 0.767362 O\n",
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{
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}