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{
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{
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"structure_string": "Mn1 Sn1 F6\n1.0\n5.064697 -2.735676 0.000000\n5.064697 2.735676 0.000000\n3.587032 0.000000 4.502030\nMn Sn F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Sn\n0.349542 0.758224 0.133022 F\n0.758224 0.133022 0.349542 F\n0.866978 0.650458 0.241776 F\n0.241776 0.866978 0.650458 F\n0.650458 0.241776 0.866978 F\n0.133022 0.349542 0.758224 F\n",
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"spacegroup": 148
},
{
"id": "mp-1202638",
"created_at": "2022-09-04T14:46:36.364336Z",
"structure_string": "Ca1 H24 C6 Br2 O6\n1.0\n-0.000001 -0.000004 -7.295206\n-4.302978 -7.453047 -0.000005\n-4.303065 7.453097 0.000004\nCa H C Br O\n1 24 6 2 6\ndirect\n0.500000 0.000000 0.000000 Ca\n0.323454 0.116749 0.362695 H\n0.323451 0.637311 0.754056 H\n0.323457 0.245951 0.883255 H\n0.676546 0.883251 0.637305 H\n0.676549 0.362689 0.245944 H\n0.676543 0.754049 0.116745 H\n0.308179 0.806363 0.292588 H\n0.308181 0.707413 0.513775 H\n0.308180 0.486226 0.193638 H\n0.691821 0.193637 0.707412 H\n0.691819 0.292587 0.486225 H\n0.691820 0.513774 0.806362 H\n0.094202 0.917621 0.311617 H\n0.094204 0.688383 0.606004 H\n0.094201 0.393998 0.082380 H\n0.905798 0.082379 0.688383 H\n0.905796 0.311617 0.393996 H\n0.905799 0.606002 0.917620 H\n0.189634 0.771053 0.095951 H\n0.189633 0.904054 0.675103 H\n0.189635 0.324896 0.228945 H\n0.810366 0.228947 0.904049 H\n0.810367 0.095946 0.324897 H\n0.810365 0.675104 0.771055 H\n0.222076 0.869643 0.235640 C\n0.222075 0.764360 0.634005 C\n0.222076 0.365996 0.130356 C\n0.777924 0.130357 0.764360 C\n0.777925 0.235640 0.365995 C\n0.777924 0.634004 0.869644 C\n0.283008 0.333334 0.666667 Br\n0.716992 0.666666 0.333333 Br\n0.319719 0.016755 0.236709 O\n0.319719 0.763293 0.780045 O\n0.319718 0.219955 0.983245 O\n0.680281 0.983245 0.763291 O\n0.680281 0.236707 0.219955 O\n0.680282 0.780045 0.016755 O\n",
"nsites": 39,
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"formula_full": "Ca1 H24 C6 Br2 O6",
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{
"id": "mp-27740",
"created_at": "2022-09-04T14:46:36.902996Z",
"structure_string": "Na4 Np8 F36\n1.0\n6.954399 0.000000 0.000000\n0.000000 8.685307 0.000000\n0.000000 0.000000 11.104940\nNa Np F\n4 8 36\ndirect\n0.349645 0.035360 0.750000 Na\n0.849645 0.464640 0.250000 Na\n0.650355 0.964640 0.250000 Na\n0.150355 0.535360 0.750000 Na\n0.661026 0.671848 0.951911 Np\n0.838974 0.171848 0.951911 Np\n0.338974 0.328152 0.451911 Np\n0.161026 0.828152 0.451911 Np\n0.161026 0.828152 0.048089 Np\n0.838974 0.171848 0.548089 Np\n0.338974 0.328152 0.048089 Np\n0.661026 0.671848 0.548089 Np\n0.579881 0.501322 0.104600 F\n0.479103 0.798298 0.103200 F\n0.141749 0.291452 0.612014 F\n0.520897 0.201702 0.896800 F\n0.801178 0.431575 0.919083 F\n0.079881 0.998678 0.604600 F\n0.420119 0.498678 0.604600 F\n0.858251 0.708548 0.387986 F\n0.979103 0.701702 0.603200 F\n0.198822 0.568425 0.080917 F\n0.641749 0.208548 0.387986 F\n0.020897 0.298298 0.396800 F\n0.698822 0.931575 0.580917 F\n0.161165 0.828007 0.250000 F\n0.579881 0.501322 0.395400 F\n0.338835 0.328007 0.250000 F\n0.858251 0.708548 0.112014 F\n0.020897 0.298298 0.103200 F\n0.661165 0.671993 0.750000 F\n0.358251 0.791452 0.612014 F\n0.920119 0.001322 0.104600 F\n0.479103 0.798298 0.396800 F\n0.301178 0.068425 0.419083 F\n0.301178 0.068425 0.080917 F\n0.698822 0.931575 0.919083 F\n0.979103 0.701702 0.896800 F\n0.198822 0.568425 0.419083 F\n0.358251 0.791452 0.887986 F\n0.838835 0.171993 0.750000 F\n0.641749 0.208548 0.112014 F\n0.420119 0.498678 0.895400 F\n0.079881 0.998678 0.895400 F\n0.801178 0.431575 0.580917 F\n0.520897 0.201702 0.603200 F\n0.141749 0.291452 0.887986 F\n0.920119 0.001322 0.395400 F\n",
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{
"id": "mp-1204305",
"created_at": "2022-09-04T14:46:42.313741Z",
"structure_string": "Na6 Zn8 P6 O38\n1.0\n8.924664 -5.478598 0.000000\n8.924664 5.478598 0.000000\n5.561508 0.000000 8.873234\nNa Zn P O\n6 8 6 38\ndirect\n0.987732 0.100899 0.449474 Na\n0.949474 0.600899 0.487732 Na\n0.100899 0.449474 0.987732 Na\n0.600899 0.487732 0.949474 Na\n0.449474 0.987732 0.100899 Na\n0.487732 0.949474 0.600899 Na\n0.275064 0.570533 0.575345 Zn\n0.075345 0.070533 0.775064 Zn\n0.570533 0.575345 0.275064 Zn\n0.070533 0.775064 0.075345 Zn\n0.575345 0.275064 0.570533 Zn\n0.775064 0.075345 0.070533 Zn\n0.575407 0.575407 0.575407 Zn\n0.075407 0.075407 0.075407 Zn\n0.236126 0.766817 0.264853 P\n0.764853 0.266817 0.736126 P\n0.766817 0.264853 0.236126 P\n0.266817 0.736126 0.764853 P\n0.264853 0.236126 0.766817 P\n0.736126 0.764853 0.266817 P\n0.496877 0.496877 0.496877 O\n0.996877 0.996877 0.996877 O\n0.172459 0.658662 0.423426 O\n0.923426 0.158662 0.672459 O\n0.658662 0.423426 0.172459 O\n0.158662 0.672459 0.923426 O\n0.423426 0.172459 0.658662 O\n0.672459 0.923426 0.158662 O\n0.219322 0.740030 0.643060 O\n0.143060 0.240030 0.719322 O\n0.740030 0.643060 0.219322 O\n0.240030 0.719322 0.143060 O\n0.643060 0.219322 0.740030 O\n0.719322 0.143060 0.240030 O\n0.235306 0.399744 0.757676 O\n0.257676 0.899744 0.735306 O\n0.399744 0.757676 0.235306 O\n0.899744 0.735306 0.257676 O\n0.757676 0.235306 0.399744 O\n0.735306 0.257676 0.899744 O\n0.433302 0.636412 0.758626 O\n0.258626 0.136412 0.933302 O\n0.636412 0.758626 0.433302 O\n0.136412 0.933302 0.258626 O\n0.758626 0.433302 0.636412 O\n0.933302 0.258626 0.136412 O\n0.368438 0.308449 0.068590 O\n0.568590 0.808449 0.868438 O\n0.308449 0.068590 0.368438 O\n0.808449 0.868438 0.568590 O\n0.068590 0.368438 0.308449 O\n0.868438 0.568590 0.808449 O\n0.384049 0.389179 0.114322 O\n0.614322 0.889179 0.884049 O\n0.389179 0.114322 0.384049 O\n0.889179 0.884049 0.614322 O\n0.114322 0.384049 0.389179 O\n0.884049 0.614322 0.889179 O\n",
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{
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"structure_string": "Li6 Cu6 H6 C6 O24\n1.0\n5.337032 -9.244011 0.000000\n5.337032 9.244011 0.000000\n0.000000 0.000000 5.943763\nLi Cu H C O\n6 6 6 6 24\ndirect\n0.161328 0.795631 0.750000 Li\n0.204369 0.365697 0.750000 Li\n0.365697 0.161328 0.250000 Li\n0.634303 0.838672 0.750000 Li\n0.795631 0.634303 0.250000 Li\n0.838672 0.204369 0.250000 Li\n0.000000 0.500000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.203876 0.591596 0.750000 H\n0.387720 0.796124 0.750000 H\n0.408404 0.612280 0.750000 H\n0.591596 0.387720 0.250000 H\n0.612280 0.203876 0.250000 H\n0.796124 0.408404 0.250000 H\n0.191056 0.778613 0.250000 C\n0.221387 0.412443 0.250000 C\n0.587557 0.808944 0.250000 C\n0.412443 0.191056 0.750000 C\n0.778613 0.587557 0.750000 C\n0.808944 0.221387 0.750000 C\n0.148118 0.708585 0.441430 O\n0.148118 0.708585 0.058570 O\n0.274590 0.915458 0.250000 O\n0.116800 0.496901 0.750000 O\n0.084542 0.359132 0.250000 O\n0.380101 0.883200 0.750000 O\n0.291415 0.439533 0.441430 O\n0.291415 0.439533 0.058570 O\n0.560467 0.851882 0.058570 O\n0.560467 0.851882 0.441430 O\n0.503099 0.619899 0.750000 O\n0.640868 0.725410 0.250000 O\n0.359132 0.274590 0.750000 O\n0.496901 0.380101 0.250000 O\n0.439533 0.148118 0.558570 O\n0.439533 0.148118 0.941430 O\n0.708585 0.560467 0.941430 O\n0.708585 0.560467 0.558570 O\n0.619899 0.116800 0.250000 O\n0.915458 0.640868 0.750000 O\n0.883200 0.503099 0.250000 O\n0.725410 0.084542 0.750000 O\n0.851882 0.291415 0.941430 O\n0.851882 0.291415 0.558570 O\n",
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{
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