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{
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{
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{
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{
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{
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"structure_string": "Sc8 Al2\n1.0\n0.000000 5.157251 5.157251\n5.157251 0.000000 5.157251\n5.157251 5.157251 0.000000\nSc Al\n8 2\ndirect\n0.396366 0.396366 0.396366 Sc\n0.396366 0.396366 0.810901 Sc\n0.396366 0.810901 0.396366 Sc\n0.853634 0.853634 0.439099 Sc\n0.853634 0.853634 0.853634 Sc\n0.810901 0.396366 0.396366 Sc\n0.853634 0.439099 0.853634 Sc\n0.439099 0.853634 0.853634 Sc\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Al\n",
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{
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"created_at": "2022-09-04T14:45:08.256176Z",
"structure_string": "Ce1 Mn1 In1\n1.0\n0.000000 0.000000 -3.334860\n-2.461998 -4.262950 0.000000\n-2.458742 4.261087 0.000000\nCe Mn In\n1 1 1\ndirect\n0.000000 0.999872 0.000617 Ce\n0.500000 0.333565 0.665951 Mn\n0.500000 0.666463 0.333432 In\n",
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{
"id": "mp-1096676",
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"structure_string": "Zr1 Cu2 Au1\n1.0\n-4.494574 4.968450 6.344222\n4.494574 -4.968450 6.344222\n4.494574 4.968450 -6.344222\nZr Cu Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.253758 0.000000 0.253758 Cu\n0.746242 0.000000 0.746242 Cu\n0.500000 0.000000 0.500000 Au\n",
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{
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{
"id": "mp-1215802",
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"structure_string": "Yb4 Ta4 Ti4 O24\n1.0\n14.964394 0.000000 0.000000\n0.000000 5.205722 0.000000\n0.000000 0.018333 5.631710\nYb Ta Ti O\n4 4 4 24\ndirect\n0.999270 0.749028 0.234037 Yb\n0.499270 0.250972 0.265963 Yb\n0.000730 0.250972 0.765963 Yb\n0.500730 0.749028 0.734037 Yb\n0.666922 0.815024 0.175137 Ta\n0.166922 0.184976 0.324863 Ta\n0.333078 0.184976 0.824863 Ta\n0.833078 0.815024 0.675137 Ta\n0.836381 0.318946 0.319920 Ti\n0.336381 0.681054 0.180080 Ti\n0.163619 0.681054 0.680080 Ti\n0.663619 0.318946 0.819920 Ti\n0.096510 0.965890 0.565083 O\n0.405152 0.471352 0.939609 O\n0.596510 0.034110 0.934917 O\n0.905152 0.528648 0.560391 O\n0.903490 0.034110 0.434917 O\n0.594848 0.528648 0.060391 O\n0.403490 0.965890 0.065083 O\n0.094848 0.471352 0.439609 O\n0.910644 0.411315 0.087038 O\n0.587523 0.909498 0.413089 O\n0.410644 0.588685 0.412962 O\n0.087523 0.090502 0.086911 O\n0.089356 0.588685 0.912962 O\n0.412477 0.090502 0.586911 O\n0.589356 0.411315 0.587038 O\n0.912477 0.909498 0.913089 O\n0.741825 0.143979 0.144799 O\n0.760823 0.648660 0.362260 O\n0.241825 0.856021 0.355201 O\n0.260823 0.351340 0.137740 O\n0.258175 0.856021 0.855201 O\n0.239177 0.351340 0.637740 O\n0.758175 0.143979 0.644799 O\n0.739177 0.648660 0.862260 O\n",
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{
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"structure_string": "Ni3 S1\n1.0\n-1.743040 1.743040 3.656167\n1.743040 -1.743040 3.656167\n1.743040 1.743040 -3.656167\nNi S\n3 1\ndirect\n0.750000 0.250000 0.500000 Ni\n0.250000 0.750000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 S\n",
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{
"id": "mp-1026861",
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"structure_string": "Li1 La1 Mg14\n1.0\n6.602854 0.049024 0.000000\n-3.258971 5.644702 0.000000\n0.000000 0.000000 10.394175\nLi La Mg\n1 1 14\ndirect\n0.177218 0.338608 0.125000 Li\n0.161671 0.830835 0.125000 La\n0.165443 0.332721 0.625000 Mg\n0.165764 0.832881 0.625000 Mg\n0.656598 0.337724 0.125000 Mg\n0.667054 0.332928 0.625000 Mg\n0.656598 0.818873 0.125000 Mg\n0.667054 0.834125 0.625000 Mg\n0.337487 0.173587 0.382652 Mg\n0.337487 0.173587 0.867348 Mg\n0.337487 0.663900 0.382652 Mg\n0.337487 0.663900 0.867348 Mg\n0.837193 0.168597 0.368947 Mg\n0.837193 0.168597 0.881053 Mg\n0.829133 0.664567 0.383321 Mg\n0.829133 0.664567 0.866679 Mg\n",
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"volume": 389.0634390712223,
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"formula_full": "Li1 La1 Mg14",
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{
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"structure_string": "Li5 Mn2 P2 C2 O14\n1.0\n0.317677 -0.003282 5.059760\n8.556640 0.084102 0.222731\n0.064086 6.468303 -0.006176\nLi Mn P C O\n5 2 2 2 14\ndirect\n0.796766 0.109937 0.240459 Li\n0.272006 0.267950 0.470854 Li\n0.724286 0.735570 0.511947 Li\n0.727885 0.728625 0.970236 Li\n0.223078 0.899451 0.752487 Li\n0.203432 0.662602 0.247599 Mn\n0.799298 0.331953 0.755159 Mn\n0.724685 0.415292 0.258271 P\n0.263355 0.587500 0.744462 P\n0.697454 0.037907 0.739510 C\n0.321013 0.957761 0.261596 C\n0.944528 0.060233 0.753903 O\n0.416338 0.087660 0.292375 O\n0.527389 0.161398 0.725994 O\n0.791743 0.314679 0.066327 O\n0.856794 0.310219 0.437356 O\n0.424076 0.443106 0.297248 O\n0.158439 0.425732 0.739250 O\n0.834590 0.579268 0.243507 O\n0.572111 0.570985 0.745129 O\n0.155032 0.698431 0.561434 O\n0.159545 0.688357 0.932661 O\n0.486495 0.827374 0.244665 O\n0.614538 0.897819 0.741641 O\n0.071314 0.939408 0.248330 O\n",
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]
}