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{
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{
"id": "mp-758310",
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"structure_string": "Li12 Ti8 P12 O48\n1.0\n6.664922 7.243078 0.000000\n-6.664922 7.243078 0.000000\n0.000000 0.993847 9.773079\nLi Ti P O\n12 8 12 48\ndirect\n0.989061 0.505031 0.228803 Li\n0.625086 0.749219 0.797500 Li\n0.787244 0.555551 0.467500 Li\n0.763208 0.736277 0.182468 Li\n0.292861 0.934788 0.975547 Li\n0.000566 0.258653 0.395401 Li\n0.741347 0.999434 0.604599 Li\n0.065212 0.707139 0.024453 Li\n0.263723 0.236792 0.817532 Li\n0.444449 0.212756 0.532500 Li\n0.250781 0.374914 0.202500 Li\n0.494969 0.010939 0.771197 Li\n0.964712 0.251010 0.787654 Ti\n0.251523 0.959545 0.288763 Ti\n0.464348 0.535652 0.500000 Ti\n0.251608 0.748392 0.500000 Ti\n0.751532 0.248468 0.000000 Ti\n0.537860 0.462140 0.000000 Ti\n0.040455 0.748477 0.711237 Ti\n0.748990 0.035288 0.212346 Ti\n0.827437 0.942619 0.901324 P\n0.945416 0.820593 0.402843 P\n0.844918 0.555358 0.927176 P\n0.559941 0.838771 0.427812 P\n0.348883 0.681374 0.806211 P\n0.658101 0.318243 0.695037 P\n0.681757 0.341899 0.304963 P\n0.318626 0.651117 0.193789 P\n0.161229 0.440059 0.572188 P\n0.444642 0.155082 0.072824 P\n0.179407 0.054584 0.597157 P\n0.057381 0.172563 0.098676 P\n0.968317 0.869536 0.863770 O\n0.882171 0.959575 0.345496 O\n0.916812 0.815631 0.561804 O\n0.796554 0.908380 0.057874 O\n0.713662 0.909603 0.813178 O\n0.892806 0.697086 0.341233 O\n0.909454 0.617641 0.792441 O\n0.600615 0.905032 0.552052 O\n0.629726 0.886430 0.288300 O\n0.898776 0.605768 0.056747 O\n0.877227 0.396228 0.925736 O\n0.686530 0.588599 0.926143 O\n0.417777 0.806764 0.844966 O\n0.592515 0.679455 0.441695 O\n0.400471 0.870964 0.417502 O\n0.808729 0.400312 0.353183 O\n0.816553 0.311035 0.669380 O\n0.302935 0.808428 0.156814 O\n0.604648 0.456202 0.626624 O\n0.378029 0.670454 0.646266 O\n0.176703 0.895299 0.630182 O\n0.838917 0.101759 0.875019 O\n0.456004 0.591523 0.131151 O\n0.620191 0.324492 0.854213 O\n0.675508 0.379809 0.145787 O\n0.408477 0.543996 0.868849 O\n0.898241 0.161083 0.124981 O\n0.104701 0.823297 0.369818 O\n0.329546 0.621971 0.353734 O\n0.543798 0.395352 0.373376 O\n0.191572 0.697065 0.843186 O\n0.688965 0.183447 0.330620 O\n0.599688 0.191271 0.646817 O\n0.129036 0.599529 0.582498 O\n0.320545 0.407485 0.558305 O\n0.193236 0.582223 0.155034 O\n0.411401 0.313470 0.073857 O\n0.603772 0.122773 0.074264 O\n0.394232 0.101224 0.943253 O\n0.113570 0.370274 0.711700 O\n0.094968 0.399385 0.447948 O\n0.382359 0.090546 0.207559 O\n0.302914 0.107194 0.658767 O\n0.090397 0.286338 0.186822 O\n0.091620 0.203446 0.942126 O\n0.184369 0.083188 0.438196 O\n0.040425 0.117829 0.654504 O\n0.130464 0.031683 0.136230 O\n",
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"formula_full": "Li12 Ti8 P12 O48",
"formula_reduced": "Li3Ti2(PO4)3",
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"spacegroup": 5
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{
"id": "mp-1073274",
"created_at": "2022-09-04T14:46:30.729545Z",
"structure_string": "Mg4 Si8\n1.0\n1.877511 5.469500 0.000000\n-1.877511 5.469500 0.000000\n0.000000 3.914935 10.858923\nMg Si\n4 8\ndirect\n0.225138 0.225138 0.174192 Mg\n0.152584 0.152584 0.838717 Mg\n0.774864 0.774864 0.585749 Mg\n0.514712 0.514712 0.372880 Mg\n0.806949 0.806949 0.964243 Si\n0.580265 0.580265 0.100743 Si\n0.840941 0.840941 0.326469 Si\n0.073197 0.073197 0.628563 Si\n0.943051 0.943051 0.101464 Si\n0.424302 0.424302 0.851685 Si\n0.429841 0.429841 0.643095 Si\n0.199005 0.199005 0.412059 Si\n",
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"elements": [
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"formula_full": "Mg4 Si8",
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{
"id": "mp-2689",
"created_at": "2022-09-04T14:47:01.885615Z",
"structure_string": "Th1 Fe5\n1.0\n2.535532 -4.391671 0.000000\n2.535532 4.391671 0.000000\n0.000000 0.000000 4.044002\nTh Fe\n1 5\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 Fe\n0.333333 0.666667 0.000000 Fe\n0.666667 0.333333 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n",
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{
"id": "mp-865878",
"created_at": "2022-09-04T14:46:30.398078Z",
"structure_string": "Ti2 Tc1 Ni1\n1.0\n0.000000 3.049142 3.049142\n3.049142 0.000000 3.049142\n3.049142 3.049142 0.000000\nTi Tc Ni\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Ti\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Ni\n",
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"formula_full": "Ti2 Tc1 Ni1",
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{
"id": "mp-754512",
"created_at": "2022-09-04T14:46:30.677900Z",
"structure_string": "Ge11 N11 O5\n1.0\n9.780833 -2.953124 0.000000\n9.780833 2.953124 0.000000\n8.889197 0.000000 5.036647\nGe N O\n11 11 5\ndirect\n0.934090 0.450779 0.934090 Ge\n0.688379 0.688379 0.688379 Ge\n0.997808 0.997808 0.997808 Ge\n0.450779 0.934090 0.934090 Ge\n0.934090 0.934090 0.450779 Ge\n0.876875 0.876875 0.876875 Ge\n0.437198 0.935961 0.437198 Ge\n0.187340 0.187340 0.187340 Ge\n0.498752 0.498752 0.498752 Ge\n0.935961 0.437198 0.437198 Ge\n0.437198 0.437198 0.935961 Ge\n0.811026 0.811026 0.811026 N\n0.297382 0.831569 0.297382 N\n0.831569 0.297382 0.297382 N\n0.297382 0.297382 0.831569 N\n0.073514 0.073514 0.543032 N\n0.543032 0.073514 0.073514 N\n0.073514 0.543032 0.073514 N\n0.800047 0.336485 0.800047 N\n0.566274 0.566274 0.566274 N\n0.800047 0.800047 0.336485 N\n0.336485 0.800047 0.800047 N\n0.588407 0.588407 0.022407 O\n0.022407 0.588407 0.588407 O\n0.588407 0.022407 0.588407 O\n0.064541 0.064541 0.064541 O\n0.302499 0.302499 0.302499 O\n",
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"density": 5.896128238632044,
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"spacegroup": 160
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{
"id": "mp-1080242",
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"structure_string": "Pb3 N4\n1.0\n3.443693 -4.010716 0.000000\n3.443693 4.010716 0.000000\n-1.227408 0.000000 5.141822\nPb N\n3 4\ndirect\n0.071404 0.616328 0.071404 Pb\n0.616328 0.071404 0.071404 Pb\n0.071404 0.071404 0.616328 Pb\n0.487708 0.198757 0.487708 N\n0.198757 0.487708 0.487708 N\n0.487708 0.487708 0.198757 N\n0.401690 0.401690 0.401690 N\n",
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{
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"structure_string": "Gd6 Os2 O14\n1.0\n6.525641 -0.002992 0.000000\n-2.288226 6.111303 0.000000\n0.000000 0.000000 7.446823\nGd Os O\n6 2 14\ndirect\n0.066522 0.522848 0.250000 Gd\n0.933478 0.477152 0.750000 Gd\n0.522848 0.066522 0.250000 Gd\n0.000000 0.000000 0.000000 Gd\n0.477152 0.933478 0.750000 Gd\n0.000000 0.000000 0.500000 Gd\n0.500000 0.500000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n0.563513 0.818349 0.037194 O\n0.436487 0.181651 0.962806 O\n0.575873 0.575873 0.750000 O\n0.563513 0.818349 0.462806 O\n0.181651 0.436487 0.962806 O\n0.424127 0.424127 0.250000 O\n0.843056 0.107607 0.750000 O\n0.818349 0.563513 0.037194 O\n0.892393 0.156944 0.250000 O\n0.107607 0.843056 0.750000 O\n0.436487 0.181651 0.537194 O\n0.181651 0.436487 0.537194 O\n0.818349 0.563513 0.462806 O\n0.156944 0.892393 0.250000 O\n",
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{
"id": "mp-1097312",
"created_at": "2022-09-04T14:47:28.575570Z",
"structure_string": "Zr2 Tc1 Ir1\n1.0\n-4.590601 5.647918 7.901044\n4.590601 -5.647918 7.901044\n4.590601 5.647918 -7.901044\nZr Tc Ir\n2 1 1\ndirect\n0.000000 0.241902 0.241902 Zr\n0.000000 0.758098 0.758098 Zr\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Ir\n",
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{
"id": "mp-1199952",
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"structure_string": "Nd12 In2 Fe26\n1.0\n8.094790 0.000000 0.000000\n0.000000 8.094790 0.000000\n-4.047395 -4.047395 11.808100\nNd In Fe\n12 2 26\ndirect\n0.604327 0.604327 0.208654 Nd\n0.104327 0.104327 0.208654 Nd\n0.395673 0.395673 0.791346 Nd\n0.895673 0.895673 0.791346 Nd\n0.978914 0.478914 0.630975 Nd\n0.652060 0.152060 0.630975 Nd\n0.152060 0.978914 0.630975 Nd\n0.478914 0.652060 0.630975 Nd\n0.021086 0.521086 0.369025 Nd\n0.347940 0.847940 0.369025 Nd\n0.847940 0.021086 0.369025 Nd\n0.521086 0.347940 0.369025 Nd\n0.250000 0.250000 0.500000 In\n0.750000 0.750000 0.500000 In\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.710034 0.566505 0.000000 Fe\n0.289966 0.433495 0.000000 Fe\n0.789966 0.066505 0.000000 Fe\n0.210034 0.933495 0.000000 Fe\n0.566505 0.289966 0.000000 Fe\n0.433495 0.710034 0.000000 Fe\n0.066505 0.210034 0.000000 Fe\n0.933495 0.789966 0.000000 Fe\n0.120671 0.620671 0.883185 Fe\n0.762514 0.262514 0.883185 Fe\n0.262514 0.120671 0.883185 Fe\n0.620671 0.762514 0.883185 Fe\n0.879329 0.379329 0.116815 Fe\n0.237486 0.737486 0.116815 Fe\n0.737486 0.879329 0.116815 Fe\n0.379329 0.237486 0.116815 Fe\n0.293714 0.793714 0.813036 Fe\n0.519321 0.019321 0.813036 Fe\n0.019321 0.293714 0.813036 Fe\n0.793714 0.519321 0.813036 Fe\n0.706286 0.206286 0.186964 Fe\n0.480679 0.980679 0.186964 Fe\n0.980679 0.706286 0.186964 Fe\n0.206286 0.480679 0.186964 Fe\n",
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{
"id": "mp-1073693",
"created_at": "2022-09-04T14:46:23.579520Z",
"structure_string": "Mg6 Si6\n1.0\n1.874790 -14.743110 0.000000\n1.874790 14.743110 0.000000\n0.000000 0.000000 4.058036\nMg Si\n6 6\ndirect\n0.117387 0.882613 0.750000 Mg\n0.450951 0.549049 0.750000 Mg\n0.284455 0.715545 0.250000 Mg\n0.549049 0.450951 0.250000 Mg\n0.882613 0.117387 0.250000 Mg\n0.715545 0.284455 0.750000 Mg\n0.639769 0.360231 0.250000 Si\n0.975377 0.024623 0.250000 Si\n0.807072 0.192928 0.750000 Si\n0.024623 0.975377 0.750000 Si\n0.360231 0.639769 0.750000 Si\n0.192928 0.807072 0.250000 Si\n",
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"formula_full": "Mg6 Si6",
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