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{
"id": "mp-557843",
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"structure_string": "Ca8 Mn4 Sb4 O24\n1.0\n-0.198386 5.682612 0.000001\n0.000001 0.000002 7.718302\n11.183076 -0.363429 0.000002\nCa Mn Sb O\n8 4 4 24\ndirect\n0.560510 0.750000 0.260648 Ca\n0.560510 0.750000 0.760649 Ca\n0.439488 0.250000 0.239351 Ca\n0.439488 0.250000 0.739350 Ca\n0.038465 0.750000 0.003964 Ca\n0.038474 0.750000 0.503979 Ca\n0.961534 0.250000 0.496035 Ca\n0.961524 0.250000 0.996019 Ca\n0.000028 0.500005 0.750016 Mn\n0.000010 0.000000 0.750009 Mn\n0.999995 0.500004 0.249998 Mn\n0.999999 0.999985 0.250002 Mn\n0.500000 0.500002 0.999997 Sb\n0.499998 0.499999 0.500001 Sb\n0.500000 0.999999 0.999997 Sb\n0.499998 0.000002 0.500002 Sb\n0.540783 0.250000 0.447446 O\n0.540783 0.250000 0.947446 O\n0.459215 0.750000 0.052552 O\n0.459215 0.750000 0.552553 O\n0.963180 0.750000 0.208410 O\n0.963186 0.750000 0.708411 O\n0.036817 0.250000 0.291588 O\n0.036813 0.250000 0.791588 O\n0.702840 0.450965 0.151221 O\n0.702842 0.450964 0.651225 O\n0.297158 0.950966 0.348778 O\n0.297156 0.950964 0.848774 O\n0.702840 0.049035 0.151221 O\n0.702841 0.049036 0.651225 O\n0.297159 0.549035 0.348778 O\n0.297157 0.549036 0.848774 O\n0.220723 0.051274 0.090203 O\n0.220719 0.051275 0.590203 O\n0.779275 0.551274 0.409796 O\n0.779280 0.551275 0.909795 O\n0.220723 0.448726 0.090203 O\n0.220719 0.448726 0.590203 O\n0.779275 0.948726 0.409796 O\n0.779279 0.948726 0.909795 O\n",
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{
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"created_at": "2022-09-04T14:41:19.847190Z",
"structure_string": "Li1 V1 P2 O8\n1.0\n2.620877 3.951800 0.000000\n-2.620877 3.951800 0.000000\n0.000000 0.411192 6.668776\nLi V P O\n1 1 2 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 V\n0.155653 0.155653 0.264481 P\n0.844347 0.844347 0.735519 P\n0.748745 0.748745 0.936328 O\n0.725836 0.725836 0.556475 O\n0.280030 0.798139 0.297697 O\n0.798139 0.280030 0.297697 O\n0.201861 0.719970 0.702303 O\n0.719970 0.201861 0.702303 O\n0.274164 0.274164 0.443525 O\n0.251255 0.251255 0.063672 O\n",
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"formula_full": "Li1 V1 P2 O8",
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"spacegroup": 12
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{
"id": "mp-625856",
"created_at": "2022-09-04T14:41:21.370571Z",
"structure_string": "Te8 H8 O24\n1.0\n11.523334 0.000000 0.000000\n0.000000 4.989845 0.000000\n0.000000 4.979050 8.361423\nTe H O\n8 8 24\ndirect\n0.635262 0.435551 0.543897 Te\n0.862410 0.027351 0.451107 Te\n0.364738 0.435551 0.043897 Te\n0.137590 0.027351 0.951107 Te\n0.348341 0.184738 0.666128 Te\n0.152682 0.017241 0.330026 Te\n0.651659 0.184738 0.166128 Te\n0.847318 0.017241 0.830026 Te\n0.553277 0.465341 0.781993 H\n0.936396 0.583121 0.314585 H\n0.446723 0.465341 0.281993 H\n0.063604 0.583121 0.814585 H\n0.384101 0.930705 0.515898 H\n0.124843 0.464984 0.508035 H\n0.615899 0.930705 0.015898 H\n0.875157 0.464984 0.008035 H\n0.684872 0.057099 0.733405 O\n0.813187 0.030269 0.259925 O\n0.315128 0.057099 0.233405 O\n0.186813 0.030269 0.759925 O\n0.770532 0.638780 0.585687 O\n0.729383 0.320937 0.408520 O\n0.229468 0.638780 0.085687 O\n0.270617 0.320937 0.908520 O\n0.532031 0.544250 0.668938 O\n0.963119 0.385380 0.326448 O\n0.467969 0.544250 0.168938 O\n0.036881 0.385380 0.826448 O\n0.916138 0.008988 0.648904 O\n0.582595 0.829231 0.353949 O\n0.083862 0.008988 0.148904 O\n0.417405 0.829231 0.853949 O\n0.308888 0.952743 0.558320 O\n0.194547 0.571765 0.444512 O\n0.691112 0.952743 0.058320 O\n0.805453 0.571765 0.944512 O\n0.499545 0.252871 0.512087 O\n0.994948 0.790063 0.458173 O\n0.500455 0.252871 0.012087 O\n0.005052 0.790063 0.958173 O\n",
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{
"id": "mp-765046",
"created_at": "2022-09-04T14:41:53.065019Z",
"structure_string": "Li8 V4 O2 F14\n1.0\n4.238281 -0.070138 4.293526\n4.270990 0.053602 -4.325921\n-0.015783 8.594874 -0.124094\nLi V O F\n8 4 2 14\ndirect\n0.749796 0.246406 0.249423 Li\n0.249799 0.746341 0.749378 Li\n0.990233 0.987456 0.502864 Li\n0.490168 0.487413 0.002955 Li\n0.249364 0.004084 0.109819 Li\n0.749335 0.504117 0.609779 Li\n0.759403 0.010291 0.885036 Li\n0.259478 0.510198 0.385189 Li\n0.006000 0.496447 0.003271 V\n0.252012 0.247638 0.763228 V\n0.506044 0.996378 0.503172 V\n0.751967 0.747641 0.263123 V\n0.739678 0.762835 0.477459 O\n0.239806 0.262941 0.977344 O\n0.020238 0.007802 0.740323 F\n0.520289 0.507631 0.240392 F\n0.243326 0.768198 0.512708 F\n0.743283 0.268291 0.012559 F\n0.252039 0.241848 0.517000 F\n0.751891 0.741991 0.016800 F\n0.490781 0.003204 0.751993 F\n0.990607 0.503190 0.252105 F\n0.512868 0.995270 0.253406 F\n0.013043 0.495219 0.753486 F\n0.979256 0.990626 0.247434 F\n0.479161 0.490554 0.747199 F\n0.755002 0.238008 0.486416 F\n0.255130 0.737980 0.986140 F\n",
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"formula_full": "Li8 V4 O2 F14",
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{
"id": "mp-757314",
"created_at": "2022-09-04T14:42:58.734404Z",
"structure_string": "Li4 Cr4 P4 O16\n1.0\n0.000003 0.000002 5.120726\n9.248749 -0.000020 0.000005\n-0.000014 6.445721 0.000003\nLi Cr P O\n4 4 4 16\ndirect\n0.000005 0.000007 0.000001 Li\n0.000006 0.000008 0.499997 Li\n0.499990 0.500005 0.000002 Li\n0.499992 0.500005 0.499997 Li\n0.949700 0.361937 0.249999 Cr\n0.550272 0.861937 0.250004 Cr\n0.449606 0.137989 0.750005 Cr\n0.050436 0.637997 0.749998 Cr\n0.463392 0.188395 0.249999 P\n0.963415 0.311614 0.749997 P\n0.036604 0.688395 0.249999 P\n0.536586 0.811614 0.750000 P\n0.763658 0.159585 0.250004 O\n0.263688 0.340430 0.749999 O\n0.736343 0.659585 0.250002 O\n0.236317 0.840433 0.750002 O\n0.902860 0.146447 0.750000 O\n0.402814 0.353567 0.250004 O\n0.597148 0.646445 0.749996 O\n0.097181 0.853566 0.250000 O\n0.340369 0.114213 0.056841 O\n0.340369 0.114212 0.443157 O\n0.840405 0.385796 0.943169 O\n0.840404 0.385796 0.556829 O\n0.159633 0.614215 0.056840 O\n0.159633 0.614212 0.443157 O\n0.659588 0.885799 0.556831 O\n0.659588 0.885797 0.943170 O\n",
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"formula_full": "Li4 Cr4 P4 O16",
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{
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"structure_string": "P8 Br16 N8\n1.0\n11.919238 0.000000 0.000000\n0.000000 11.919238 0.000000\n0.000000 0.000000 6.784853\nP Br N\n8 16 8\ndirect\n0.042698 0.837994 0.948843 P\n0.337994 0.457302 0.448843 P\n0.837994 0.957302 0.051157 P\n0.457302 0.662006 0.551157 P\n0.542698 0.337994 0.551157 P\n0.162006 0.042698 0.051157 P\n0.662006 0.542698 0.448843 P\n0.957302 0.162006 0.948843 P\n0.098829 0.808659 0.643275 Br\n0.670687 0.943517 0.913538 Br\n0.401171 0.691341 0.856725 Br\n0.170687 0.443517 0.586462 Br\n0.308659 0.401171 0.143275 Br\n0.598829 0.308659 0.856725 Br\n0.808659 0.901171 0.356725 Br\n0.829313 0.556483 0.586462 Br\n0.943517 0.329313 0.086462 Br\n0.443517 0.829313 0.413538 Br\n0.556483 0.170687 0.413538 Br\n0.056483 0.670687 0.086462 Br\n0.191341 0.098829 0.356725 Br\n0.329313 0.056483 0.913538 Br\n0.901171 0.191341 0.643275 Br\n0.691341 0.598829 0.143275 Br\n0.414283 0.372029 0.568916 N\n0.372029 0.585717 0.431084 N\n0.872029 0.085717 0.068916 N\n0.585717 0.627971 0.568916 N\n0.914283 0.872029 0.931084 N\n0.127971 0.914283 0.068916 N\n0.085717 0.127971 0.931084 N\n0.627971 0.414283 0.431084 N\n",
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{
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{
"id": "mp-1204585",
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"structure_string": "Ba8 Na2 Al4 B16 Cl6 O36\n1.0\n12.226555 0.000000 0.000000\n0.000000 12.226555 0.000000\n0.000000 0.000000 6.921825\nBa Na Al B Cl O\n8 2 4 16 6 36\ndirect\n0.482940 0.777909 0.721313 Ba\n0.517060 0.222091 0.721313 Ba\n0.017060 0.277909 0.221313 Ba\n0.982940 0.722091 0.221313 Ba\n0.222091 0.517060 0.721313 Ba\n0.777909 0.482940 0.721313 Ba\n0.277909 0.017060 0.221313 Ba\n0.722091 0.982940 0.221313 Ba\n0.500000 0.500000 0.393895 Na\n0.000000 0.000000 0.893895 Na\n0.797455 0.797455 0.713643 Al\n0.202545 0.202545 0.713643 Al\n0.702545 0.297455 0.213643 Al\n0.297455 0.702545 0.213643 Al\n0.732930 0.732930 0.086659 B\n0.267070 0.267070 0.086659 B\n0.767070 0.232930 0.586659 B\n0.232930 0.767070 0.586659 B\n0.684437 0.684437 0.417852 B\n0.315563 0.315563 0.417852 B\n0.815563 0.184437 0.917852 B\n0.184437 0.815563 0.917852 B\n0.034300 0.766461 0.682311 B\n0.965700 0.233539 0.682311 B\n0.465700 0.266461 0.182311 B\n0.534300 0.733539 0.182311 B\n0.233539 0.965700 0.682311 B\n0.766461 0.034300 0.682311 B\n0.266461 0.465700 0.182311 B\n0.733539 0.534300 0.182311 B\n0.500000 0.500000 0.781185 Cl\n0.000000 0.000000 0.281185 Cl\n0.500000 0.000000 0.948928 Cl\n0.000000 0.500000 0.448928 Cl\n0.000000 0.500000 0.948928 Cl\n0.500000 0.000000 0.448928 Cl\n0.614287 0.756467 0.046594 O\n0.385713 0.243533 0.046594 O\n0.885713 0.256467 0.546594 O\n0.114287 0.743533 0.546594 O\n0.243533 0.385713 0.046594 O\n0.756467 0.614287 0.046594 O\n0.256467 0.885713 0.546594 O\n0.743533 0.114287 0.546594 O\n0.563525 0.701972 0.368671 O\n0.436475 0.298028 0.368671 O\n0.936475 0.201972 0.868671 O\n0.063525 0.798028 0.868671 O\n0.298028 0.436475 0.368671 O\n0.701972 0.563525 0.368671 O\n0.201972 0.936475 0.868671 O\n0.798028 0.063525 0.868671 O\n0.801841 0.801841 0.969987 O\n0.198159 0.198159 0.969987 O\n0.698159 0.301841 0.469987 O\n0.301841 0.698159 0.469987 O\n0.701623 0.701623 0.621500 O\n0.298377 0.298377 0.621500 O\n0.798377 0.201623 0.121500 O\n0.201623 0.798377 0.121500 O\n0.753679 0.753679 0.294581 O\n0.246321 0.246321 0.294581 O\n0.746321 0.253679 0.794581 O\n0.253679 0.746321 0.794581 O\n0.928213 0.760998 0.624425 O\n0.071787 0.239002 0.624425 O\n0.571787 0.260998 0.124425 O\n0.428213 0.739002 0.124425 O\n0.239002 0.071787 0.624425 O\n0.760998 0.928213 0.624425 O\n0.260998 0.571787 0.124425 O\n0.739002 0.428213 0.124425 O\n",
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