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{
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"formula_full": "Hf1 Mg30 Co1 O32",
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"spacegroup": 123
},
{
"id": "mp-1055908",
"created_at": "2022-09-04T14:48:20.201921Z",
"structure_string": "Mn1\n1.0\n-1.399720 1.399720 1.399720\n1.399720 -1.399720 1.399720\n1.399720 1.399720 -1.399720\nMn\n1\ndirect\n0.000000 0.000000 0.000000 Mn\n",
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"updated_at": "2021-11-28T01:39:06.264000Z",
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},
{
"id": "mp-1178379",
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"structure_string": "Fe10 O1 F19\n1.0\n4.809590 0.000000 0.000000\n0.019286 5.830136 0.000000\n0.051010 2.349442 13.614378\nFe O F\n10 1 19\ndirect\n0.515620 0.490534 0.996643 Fe\n0.495634 0.300828 0.602316 Fe\n0.503468 0.896181 0.800960 Fe\n0.501011 0.699473 0.399472 Fe\n0.498202 0.102350 0.199188 Fe\n0.998745 0.798158 0.601780 Fe\n0.004687 0.602746 0.195192 Fe\n0.987741 0.396980 0.807680 Fe\n0.998750 0.201045 0.399991 Fe\n0.985395 0.023143 0.995896 Fe\n0.810295 0.300207 0.945934 O\n0.799246 0.718591 0.740760 F\n0.804971 0.931411 0.132103 F\n0.801538 0.523548 0.337033 F\n0.796324 0.121219 0.539402 F\n0.712618 0.818971 0.941937 F\n0.698950 0.620404 0.540301 F\n0.703051 0.020353 0.337066 F\n0.691575 0.427789 0.142322 F\n0.701929 0.214812 0.740014 F\n0.297798 0.977428 0.661489 F\n0.303188 0.779523 0.256537 F\n0.305410 0.577551 0.859827 F\n0.290616 0.176503 0.062201 F\n0.298078 0.380424 0.460142 F\n0.203726 0.061304 0.868364 F\n0.199106 0.703427 0.052615 F\n0.199370 0.878048 0.459822 F\n0.195840 0.475745 0.664669 F\n0.197118 0.281309 0.258343 F\n",
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"formula_full": "Fe10 O1 F19",
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"spacegroup": 1
},
{
"id": "mp-1219208",
"created_at": "2022-09-04T14:48:20.220098Z",
"structure_string": "Sm3 Ti4 Co1 O14\n1.0\n6.136756 -3.655579 0.000000\n6.136756 3.655579 0.000000\n3.959180 0.000000 5.945413\nSm Ti Co O\n3 4 1 14\ndirect\n0.000000 0.500000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.500000 0.000000 0.500000 Sm\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500000 Co\n0.931835 0.321636 0.321636 O\n0.327782 0.919052 0.919052 O\n0.321636 0.321636 0.931835 O\n0.919052 0.919052 0.327782 O\n0.919052 0.327782 0.919052 O\n0.321636 0.931835 0.321636 O\n0.068165 0.678364 0.678364 O\n0.672218 0.080948 0.080948 O\n0.678364 0.678364 0.068165 O\n0.080948 0.080948 0.672218 O\n0.080948 0.672218 0.080948 O\n0.678364 0.068165 0.678364 O\n0.388558 0.388558 0.388558 O\n0.611442 0.611442 0.611442 O\n",
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"elements": [
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],
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"density": 5.761103805396095,
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"formula_full": "Sm3 Ti4 Co1 O14",
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{
"id": "mp-1233189",
"created_at": "2022-09-04T14:48:20.229746Z",
"structure_string": "Mg1 V1 Cr2 Fe3 P6 O24\n1.0\n8.996379 -0.063267 -0.042197\n4.522111 -7.481475 0.033240\n4.520938 -2.474766 -7.057128\nMg V Cr Fe P O\n1 1 2 3 6 24\ndirect\n0.123699 0.625742 0.630896 Mg\n0.569973 0.142690 0.143886 V\n0.002275 0.997488 0.996664 Cr\n0.526087 0.494487 0.491396 Cr\n0.758737 0.748857 0.743663 Fe\n0.413143 0.860066 0.863834 Fe\n0.959037 0.346909 0.348084 Fe\n0.256189 0.243971 0.542010 P\n0.277253 0.946781 0.249589 P\n0.264029 0.536190 0.955793 P\n0.764056 0.442078 0.046228 P\n0.750089 0.055451 0.743486 P\n0.772170 0.746656 0.436440 P\n0.096662 0.094669 0.329316 O\n0.088716 0.488694 0.098252 O\n0.087323 0.313481 0.492402 O\n0.229215 0.081410 0.739752 O\n0.440842 0.161111 0.387999 O\n0.286130 0.393984 0.552216 O\n0.256245 0.938690 0.088697 O\n0.312810 0.748314 0.400822 O\n0.590118 0.609974 0.995831 O\n0.308098 0.544126 0.756377 O\n0.774973 0.251887 0.058510 O\n0.581774 0.007079 0.794880 O\n0.449693 0.000365 0.173480 O\n0.231110 0.733642 0.951956 O\n0.749265 0.427787 0.236355 O\n0.437503 0.386361 0.014356 O\n0.742557 0.245716 0.580204 O\n0.750595 0.076409 0.909085 O\n0.766998 0.584966 0.418078 O\n0.593655 0.803295 0.607512 O\n0.777262 0.913712 0.244179 O\n0.936309 0.701584 0.484797 O\n0.932898 0.493551 0.876260 O\n0.923760 0.882139 0.694840 O\n",
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],
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{
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"created_at": "2022-09-04T14:48:20.241813Z",
"structure_string": "Li2 Co6 Ni2 O16\n1.0\n2.785900 -4.887913 0.004704\n5.701031 0.074411 0.004787\n0.053103 3.278037 10.000563\nLi Co Ni O\n2 6 2 16\ndirect\n0.499061 0.250053 0.249748 Li\n0.500945 0.749959 0.750252 Li\n0.499967 0.499945 0.000013 Co\n0.499991 0.999975 0.499987 Co\n0.500026 0.000022 0.999987 Co\n0.499962 0.500052 0.500008 Co\n0.000034 0.500030 0.999991 Co\n0.000025 0.999959 0.499993 Co\n0.000021 0.499747 0.499912 Ni\n0.000095 0.000063 0.000006 Ni\n0.729014 0.638027 0.095483 O\n0.728001 0.135575 0.595689 O\n0.272014 0.864405 0.404271 O\n0.271015 0.361969 0.904556 O\n0.230772 0.139554 0.094982 O\n0.233065 0.639872 0.594809 O\n0.723223 0.140602 0.095600 O\n0.718907 0.641386 0.596084 O\n0.251224 0.601163 0.102991 O\n0.245540 0.106314 0.601119 O\n0.754436 0.893770 0.398877 O\n0.748809 0.398787 0.897008 O\n0.280920 0.358732 0.403969 O\n0.276718 0.859394 0.904398 O\n0.767109 0.360306 0.405250 O\n0.769104 0.860340 0.905018 O\n",
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"formula_full": "Li2 Co6 Ni2 O16",
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{
"id": "mp-761216",
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"structure_string": "Mn12 O10 F14\n1.0\n4.739842 0.000000 0.000000\n0.016701 5.731583 0.000000\n0.023900 0.020086 15.586386\nMn O F\n12 10 14\ndirect\n0.963354 0.165575 0.580866 Mn\n0.995408 0.814401 0.748306 Mn\n0.956716 0.164958 0.917096 Mn\n0.024206 0.154871 0.255298 Mn\n0.996097 0.864257 0.421478 Mn\n0.945312 0.837584 0.084721 Mn\n0.526992 0.333886 0.411381 Mn\n0.519548 0.340263 0.079083 Mn\n0.493877 0.373673 0.753738 Mn\n0.488352 0.636593 0.915734 Mn\n0.531988 0.656532 0.579676 Mn\n0.520186 0.655847 0.249075 Mn\n0.805506 0.108653 0.361619 O\n0.763238 0.105353 0.029118 O\n0.781972 0.904684 0.525711 O\n0.792349 0.894985 0.199425 O\n0.705943 0.390114 0.857770 O\n0.709650 0.599571 0.690257 O\n0.718562 0.389623 0.522181 O\n0.702385 0.594848 0.021431 O\n0.279724 0.609586 0.808128 O\n0.313677 0.373716 0.304893 O\n0.738844 0.118946 0.700373 F\n0.757753 0.888642 0.858691 F\n0.757405 0.608396 0.361307 F\n0.766990 0.403808 0.190918 F\n0.236281 0.370903 0.975274 F\n0.240180 0.380359 0.642437 F\n0.271211 0.634913 0.473510 F\n0.268912 0.613373 0.135338 F\n0.221630 0.124852 0.803898 F\n0.251418 0.135798 0.475593 F\n0.229920 0.892672 0.633852 F\n0.211572 0.865777 0.970940 F\n0.256660 0.123321 0.142557 F\n0.256177 0.868670 0.318324 F\n",
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"elements": [
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"volume": 423.4321973605655,
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"formula_full": "Mn12 O10 F14",
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{
"id": "mp-1176666",
"created_at": "2022-09-04T14:48:20.216645Z",
"structure_string": "Li3 Mn6 P6 O24\n1.0\n7.504107 0.000000 0.000000\n-3.703363 6.570684 0.000000\n-0.058705 -0.077186 9.579344\nLi Mn P O\n3 6 6 24\ndirect\n0.243062 0.190199 0.244544 Li\n0.046157 0.808112 0.743275 Li\n0.792085 0.036499 0.247210 Li\n0.601687 0.552283 0.038880 Mn\n0.949594 0.414477 0.026935 Mn\n0.458859 0.039212 0.013486 Mn\n0.412930 0.956971 0.520621 Mn\n0.049438 0.451111 0.530001 Mn\n0.555628 0.603073 0.544602 Mn\n0.996145 0.000210 0.493022 P\n0.997214 0.999605 0.993713 P\n0.673537 0.339087 0.729760 P\n0.665741 0.346563 0.327373 P\n0.329801 0.650206 0.827577 P\n0.336996 0.664047 0.230738 P\n0.000285 0.008316 0.334283 O\n0.987975 0.989851 0.837168 O\n0.880556 0.775451 0.053483 O\n0.695940 0.545408 0.396967 O\n0.513776 0.399848 0.680620 O\n0.889635 0.504706 0.685980 O\n0.682241 0.370563 0.160622 O\n0.669944 0.335567 0.897324 O\n0.452619 0.169183 0.360490 O\n0.219630 0.095184 0.054459 O\n0.110349 0.889624 0.550666 O\n0.834354 0.297940 0.370805 O\n0.614974 0.127968 0.674802 O\n0.895295 0.120480 0.058164 O\n0.287974 0.826581 0.859204 O\n0.502647 0.875609 0.180857 O\n0.125946 0.611571 0.173044 O\n0.333233 0.665133 0.396330 O\n0.349309 0.647340 0.661848 O\n0.533751 0.688733 0.894522 O\n0.766455 0.888256 0.542066 O\n0.150340 0.448885 0.880137 O\n0.388694 0.495783 0.184493 O\n0.103617 0.219567 0.553069 O\n",
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"formula_full": "Li3 Mn6 P6 O24",
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