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{
"id": "mp-626006",
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{
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{
"id": "mp-530449",
"created_at": "2022-09-04T14:45:04.495353Z",
"structure_string": "Ca21 As14 O56\n1.0\n13.166811 -5.464620 0.000000\n13.166811 5.464620 0.000000\n10.898830 0.000000 9.189259\nCa As O\n21 14 56\ndirect\n0.266622 0.266622 0.266622 Ca\n0.197827 0.197188 0.611407 Ca\n0.611407 0.197827 0.197188 Ca\n0.197188 0.611407 0.197827 Ca\n0.318090 0.272285 0.724758 Ca\n0.724758 0.318090 0.272285 Ca\n0.699899 0.110221 0.697848 Ca\n0.272285 0.724758 0.318090 Ca\n0.918892 0.320434 0.359714 Ca\n0.320434 0.359714 0.918892 Ca\n0.110221 0.697848 0.699899 Ca\n0.697848 0.699899 0.110221 Ca\n0.824859 0.203425 0.800687 Ca\n0.359714 0.918892 0.320434 Ca\n0.575666 0.575666 0.575666 Ca\n0.203426 0.800687 0.824859 Ca\n0.800687 0.824859 0.203425 Ca\n0.828210 0.417536 0.859630 Ca\n0.859630 0.828210 0.417536 Ca\n0.417536 0.859630 0.828210 Ca\n0.767508 0.767508 0.767508 Ca\n0.000753 0.000753 0.000753 As\n0.084298 0.038396 0.582373 As\n0.582373 0.084298 0.038396 As\n0.038396 0.582373 0.084298 As\n0.583343 0.083164 0.538964 As\n0.083164 0.538964 0.583343 As\n0.538964 0.583343 0.083164 As\n0.499007 0.499007 0.499007 As\n0.932097 0.464428 0.502527 As\n0.464428 0.502527 0.932097 As\n0.502527 0.932097 0.464428 As\n0.960326 0.444521 0.994858 As\n0.994858 0.960326 0.444521 As\n0.444521 0.994858 0.960326 As\n0.150466 0.125002 0.395025 O\n0.395025 0.150466 0.125002 O\n0.125002 0.395025 0.150466 O\n0.098618 0.083281 0.655080 O\n0.655080 0.098618 0.083281 O\n0.393371 0.116952 0.402476 O\n0.167480 0.006414 0.863313 O\n0.402476 0.393371 0.116952 O\n0.116952 0.402476 0.393371 O\n0.083281 0.655080 0.098618 O\n0.863313 0.167480 0.006414 O\n0.401684 0.148757 0.594990 O\n0.689008 0.126940 0.355519 O\n0.372254 0.010294 0.890248 O\n0.594990 0.401684 0.148757 O\n0.126940 0.355519 0.689008 O\n0.148757 0.594990 0.401684 O\n0.595345 0.154419 0.587327 O\n0.006414 0.863313 0.167480 O\n0.890248 0.372254 0.010294 O\n0.355519 0.689008 0.126940 O\n0.916798 0.146405 0.372534 O\n0.431756 0.169338 0.868405 O\n0.454744 0.454744 0.454744 O\n0.154419 0.587327 0.595345 O\n0.587327 0.595345 0.154419 O\n0.146405 0.372534 0.916798 O\n0.868405 0.431756 0.169338 O\n0.010294 0.890248 0.372254 O\n0.901769 0.101798 0.645987 O\n0.661343 0.372701 0.520278 O\n0.629272 0.190356 0.854675 O\n0.372701 0.520278 0.661343 O\n0.520278 0.661343 0.372701 O\n0.372534 0.916798 0.146405 O\n0.169338 0.868405 0.431756 O\n0.101798 0.645987 0.901769 O\n0.854675 0.629272 0.190356 O\n0.830546 0.417874 0.525244 O\n0.417874 0.525244 0.830546 O\n0.645987 0.901769 0.101798 O\n0.190356 0.854675 0.629272 O\n0.649621 0.430011 0.859123 O\n0.934728 0.361488 0.671089 O\n0.525244 0.830546 0.417874 O\n0.859123 0.649621 0.430011 O\n0.361488 0.671089 0.934728 O\n0.430011 0.859123 0.649621 O\n0.671089 0.934728 0.361488 O\n0.895989 0.625182 0.650452 O\n0.625182 0.650452 0.895989 O\n0.650452 0.895989 0.625182 O\n0.900528 0.631844 0.894606 O\n0.631844 0.894606 0.900528 O\n0.894606 0.900528 0.631844 O\n0.955287 0.955287 0.955287 O\n",
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"elements": [
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"formula_full": "Ca21 As14 O56",
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{
"id": "mp-1192835",
"created_at": "2022-09-04T14:45:04.511880Z",
"structure_string": "Zr2 H12 O4 F12\n1.0\n6.389823 3.687300 0.000000\n-6.389823 3.687300 0.000000\n0.000000 2.654121 6.281725\nZr H O F\n2 12 4 12\ndirect\n0.047234 0.952766 0.750000 Zr\n0.952765 0.047234 0.250000 Zr\n0.383883 0.850130 0.873836 H\n0.850130 0.383883 0.373836 H\n0.616117 0.149870 0.126164 H\n0.149870 0.616117 0.626164 H\n0.596209 0.241024 0.563640 H\n0.241024 0.596209 0.063640 H\n0.403791 0.758976 0.436360 H\n0.758976 0.403791 0.936360 H\n0.522723 0.729536 0.943628 H\n0.729536 0.522723 0.443628 H\n0.477277 0.270464 0.056372 H\n0.270464 0.477277 0.556372 H\n0.611590 0.255811 0.009450 O\n0.255811 0.611590 0.509450 O\n0.388410 0.744189 0.990550 O\n0.744189 0.388410 0.490550 O\n0.996215 0.628716 0.799570 F\n0.628716 0.996215 0.299570 F\n0.003785 0.371284 0.200430 F\n0.371284 0.003785 0.700430 F\n0.933528 0.113588 0.938389 F\n0.113588 0.933528 0.438389 F\n0.066472 0.886412 0.061611 F\n0.886412 0.066472 0.561611 F\n0.708731 0.716083 0.895741 F\n0.716083 0.708731 0.395741 F\n0.291269 0.283917 0.104259 F\n0.283917 0.291269 0.604259 F\n",
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{
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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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{
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"structure_string": "Ti8 Mn2 Bi4\n1.0\n-5.273607 5.273607 2.487234\n5.273607 -5.273607 2.487234\n5.273607 5.273607 -2.487234\nTi Mn Bi\n8 2 4\ndirect\n0.692290 0.580377 0.272667 Ti\n0.307710 0.419623 0.727333 Ti\n0.580377 0.307710 0.888087 Ti\n0.080377 0.192290 0.272667 Ti\n0.807710 0.080377 0.888087 Ti\n0.419623 0.692290 0.111913 Ti\n0.919623 0.807710 0.727333 Ti\n0.192290 0.919623 0.111913 Ti\n0.250000 0.250000 0.000000 Mn\n0.750000 0.750000 0.000000 Mn\n0.138600 0.638600 0.777201 Bi\n0.361400 0.138600 0.500000 Bi\n0.861400 0.361400 0.222799 Bi\n0.638600 0.861400 0.500000 Bi\n",
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{
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{
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{
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