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{
"id": "mp-40157",
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"structure_string": "Mo3 H24 C8 S13 N2\n1.0\n5.583560 -9.671009 0.000000\n5.583560 9.671009 0.000000\n0.000000 0.000000 6.972313\nMo H C S N\n3 24 8 13 2\ndirect\n0.000000 0.142142 0.015162 Mo\n0.857858 0.857858 0.015162 Mo\n0.142142 0.000000 0.015162 Mo\n0.449528 0.246266 0.487357 H\n0.203261 0.753734 0.487357 H\n0.548073 0.432386 0.478404 H\n0.115687 0.567614 0.478404 H\n0.206076 0.656559 0.692868 H\n0.549517 0.343441 0.692868 H\n0.327718 0.757413 0.197700 H\n0.242587 0.570305 0.197700 H\n0.451927 0.884313 0.478404 H\n0.567614 0.115687 0.478404 H\n0.450483 0.793924 0.692868 H\n0.656559 0.206076 0.692868 H\n0.429695 0.672282 0.197700 H\n0.550472 0.796739 0.487357 H\n0.753734 0.203261 0.487357 H\n0.570305 0.242587 0.197700 H\n0.672282 0.429695 0.197700 H\n0.796739 0.550472 0.487357 H\n0.246266 0.449528 0.487357 H\n0.793924 0.450483 0.692868 H\n0.343441 0.549517 0.692868 H\n0.757413 0.327718 0.197700 H\n0.884313 0.451927 0.478404 H\n0.432386 0.548073 0.478404 H\n0.543386 0.338807 0.535693 C\n0.204579 0.661193 0.535693 C\n0.333333 0.666667 0.245883 C\n0.456614 0.795421 0.535693 C\n0.661193 0.204579 0.535693 C\n0.666667 0.333333 0.245883 C\n0.795421 0.456614 0.535693 C\n0.338807 0.543386 0.535693 C\n0.000000 0.826126 0.775416 S\n0.173874 0.173874 0.775416 S\n0.000000 0.742132 0.033899 S\n0.257868 0.257868 0.033899 S\n0.000000 0.362841 0.951441 S\n0.637159 0.637159 0.951441 S\n0.000000 0.309230 0.235350 S\n0.690770 0.690770 0.235350 S\n0.000000 0.000000 0.269841 S\n0.309230 0.000000 0.235350 S\n0.362841 0.000000 0.951441 S\n0.742132 0.000000 0.033899 S\n0.826126 0.000000 0.775416 S\n0.333333 0.666667 0.461982 N\n0.666667 0.333333 0.461982 N\n",
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{
"id": "mp-1898",
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"structure_string": "Ce2 Si4\n1.0\n-2.047192 2.047192 7.075325\n2.047192 -2.047192 7.075325\n2.047192 2.047192 -7.075325\nCe Si\n2 4\ndirect\n0.750000 0.250000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.166496 0.666496 0.500000 Si\n0.583504 0.583504 0.000000 Si\n0.333504 0.833504 0.500000 Si\n0.416496 0.416496 0.000000 Si\n",
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},
{
"id": "mp-1048137",
"created_at": "2022-09-04T14:41:16.661369Z",
"structure_string": "Mg2 Cr4 O10\n1.0\n3.447705 0.000000 0.000000\n0.000000 4.823686 0.000000\n0.000000 0.000000 11.560423\nMg Cr O\n2 4 10\ndirect\n0.750000 0.850744 0.250000 Mg\n0.249999 0.149255 0.750000 Mg\n0.249999 0.413295 0.099769 Cr\n0.750000 0.586704 0.900231 Cr\n0.750000 0.586704 0.599769 Cr\n0.249999 0.413295 0.400231 Cr\n0.750000 0.418045 0.750000 O\n0.249999 0.581954 0.250000 O\n0.750000 0.568399 0.074934 O\n0.249999 0.431602 0.925065 O\n0.750000 0.568399 0.425065 O\n0.249999 0.431602 0.574935 O\n0.249999 0.069000 0.357499 O\n0.750000 0.931001 0.642501 O\n0.750000 0.931001 0.857498 O\n0.249999 0.069000 0.142502 O\n",
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"formula_full": "Mg2 Cr4 O10",
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"spacegroup": 59
},
{
"id": "mp-767372",
"created_at": "2022-09-04T14:41:16.662594Z",
"structure_string": "Cr8 Ni50 Mo15 W2\n1.0\n6.300612 0.000000 0.000000\n-2.111173 11.447747 0.000000\n-1.973489 -4.628293 12.369217\nCr Ni Mo W\n8 50 15 2\ndirect\n0.879597 0.160269 0.480467 Cr\n0.440872 0.079573 0.239429 Cr\n0.000386 0.999517 0.999659 Cr\n0.356825 0.520601 0.561631 Cr\n0.520098 0.640094 0.919883 Cr\n0.082860 0.559521 0.678706 Cr\n0.960121 0.720321 0.159869 Cr\n0.839348 0.880014 0.640325 Cr\n0.398038 0.133258 0.067698 Ni\n0.561985 0.252585 0.425589 Ni\n0.121698 0.172350 0.185991 Ni\n0.682646 0.093525 0.947197 Ni\n0.278834 0.295803 0.546210 Ni\n0.838469 0.213261 0.307815 Ni\n0.441437 0.417081 0.906715 Ni\n0.000220 0.335467 0.665338 Ni\n0.720588 0.375068 0.786671 Ni\n0.600556 0.534928 0.267035 Ni\n0.160563 0.454942 0.026523 Ni\n0.320462 0.574436 0.388358 Ni\n0.881173 0.497007 0.146937 Ni\n0.476565 0.691906 0.746048 Ni\n0.043614 0.613446 0.508595 Ni\n0.202194 0.732669 0.865815 Ni\n0.760812 0.655265 0.627279 Ni\n0.641950 0.812896 0.105728 Ni\n0.358495 0.855699 0.226158 Ni\n0.919021 0.775271 0.987439 Ni\n0.522579 0.973979 0.587002 Ni\n0.079784 0.893602 0.345251 Ni\n0.237456 0.013473 0.706453 Ni\n0.801571 0.936430 0.468119 Ni\n0.959843 0.053069 0.826528 Ni\n0.799268 0.265066 0.133487 Ni\n0.962577 0.385641 0.495174 Ni\n0.518960 0.303110 0.253385 Ni\n0.078570 0.222698 0.012860 Ni\n0.679789 0.427079 0.613494 Ni\n0.239844 0.346263 0.374744 Ni\n0.838406 0.547702 0.974168 Ni\n0.397418 0.467788 0.732792 Ni\n0.121990 0.506775 0.852209 Ni\n0.999247 0.665694 0.332163 Ni\n0.561899 0.586721 0.092259 Ni\n0.720884 0.706794 0.454703 Ni\n0.277411 0.626301 0.212746 Ni\n0.879836 0.826785 0.813456 Ni\n0.441777 0.744059 0.573840 Ni\n0.601526 0.864233 0.933472 Ni\n0.156206 0.783972 0.692923 Ni\n0.041149 0.944956 0.172454 Ni\n0.758145 0.987352 0.294269 Ni\n0.317957 0.907169 0.054235 Ni\n0.918498 0.103540 0.651833 Ni\n0.481831 0.026780 0.412182 Ni\n0.639048 0.145008 0.772966 Ni\n0.197501 0.066030 0.532374 Ni\n0.359726 0.185101 0.893327 Ni\n0.719220 0.039618 0.120356 Mo\n0.605559 0.199302 0.597413 Mo\n0.760169 0.320197 0.959993 Mo\n0.320007 0.240374 0.719691 Mo\n0.040247 0.279849 0.839638 Mo\n0.480046 0.359987 0.079961 Mo\n0.634137 0.481004 0.443246 Mo\n0.200804 0.399679 0.199510 Mo\n0.800164 0.600543 0.800073 Mo\n0.684821 0.759697 0.277770 Mo\n0.240164 0.680359 0.039764 Mo\n0.400070 0.800273 0.400156 Mo\n0.564422 0.918557 0.757745 Mo\n0.115744 0.840429 0.522052 Mo\n0.274871 0.960368 0.882350 Mo\n0.160113 0.119802 0.359750 W\n0.919318 0.440021 0.320558 W\n",
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{
"id": "mp-631703",
"created_at": "2022-09-04T14:41:16.667970Z",
"structure_string": "Ba1 Re2 Sn1\n1.0\n0.000000 3.516003 3.516003\n3.516003 0.000000 3.516003\n3.516003 3.516003 0.000000\nBa Re Sn\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Re\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 Sn\n",
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"formula_full": "Ba1 Re2 Sn1",
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{
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{
"id": "mp-1075198",
"created_at": "2022-09-04T14:41:16.672922Z",
"structure_string": "Mg6 Si8\n1.0\n5.986113 0.000000 0.000000\n-0.891645 6.817726 0.000000\n-2.722517 -2.888338 6.522108\nMg Si\n6 8\ndirect\n0.265150 0.853252 0.401339 Mg\n0.636419 0.820907 0.127967 Mg\n0.136768 0.645028 0.689306 Mg\n0.115412 0.246815 0.349934 Mg\n0.228160 0.422162 0.064180 Mg\n0.770360 0.004060 0.831507 Mg\n0.562949 0.536855 0.655150 Si\n0.621238 0.244848 0.394136 Si\n0.668400 0.681344 0.428622 Si\n0.745002 0.398008 0.174109 Si\n0.949956 0.677460 0.972150 Si\n0.370087 0.145386 0.812118 Si\n0.916065 0.058247 0.549844 Si\n0.260513 0.012035 0.049405 Si\n",
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{
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.210760 -0.019657 -2.787926\n-3.055879 9.632900 0.487028\n-0.241662 -0.302505 5.897455\nLi Mn Co O\n9 2 5 16\ndirect\n0.002280 0.004459 0.506409 Li\n0.000000 0.250000 0.250000 Li\n0.997720 0.495541 0.993591 Li\n0.499615 0.002129 0.002110 Li\n0.500000 0.250000 0.750000 Li\n0.500385 0.497871 0.497890 Li\n0.500000 0.750000 0.250000 Li\n0.000000 0.750000 0.750000 Li\n0.000000 0.250000 0.750000 Li\n0.997860 0.004525 0.002998 Mn\n0.002140 0.495475 0.497002 Mn\n0.000000 0.750000 0.250000 Co\n0.510387 0.009121 0.505515 Co\n0.500000 0.250000 0.250000 Co\n0.489613 0.490879 0.994485 Co\n0.500000 0.750000 0.750000 Co\n0.761113 0.877259 0.115187 O\n0.757983 0.114900 0.879081 O\n0.757056 0.378153 0.593229 O\n0.269413 0.870805 0.622336 O\n0.229344 0.114809 0.357116 O\n0.288292 0.375422 0.126827 O\n0.236247 0.614229 0.848684 O\n0.774941 0.623819 0.370303 O\n0.242944 0.121847 0.906771 O\n0.242017 0.385100 0.620919 O\n0.238887 0.622741 0.384813 O\n0.711708 0.124578 0.373173 O\n0.770656 0.385191 0.142884 O\n0.730587 0.629195 0.877664 O\n0.763753 0.885771 0.651316 O\n0.225059 0.876181 0.129697 O\n",
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