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{
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"structure_string": "Ba2 Ca2 Cu3 Hg1 O8\n1.0\n3.892682 0.000000 0.000000\n0.000000 3.892682 0.000000\n0.000000 0.000000 16.248444\nBa Ca Cu Hg O\n2 2 3 1 8\ndirect\n0.500000 0.500000 0.816083 Ba\n0.500000 0.500000 0.183917 Ba\n0.500000 0.500000 0.599071 Ca\n0.500000 0.500000 0.400929 Ca\n0.000000 0.000000 0.691918 Cu\n0.000000 0.000000 0.308082 Cu\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Hg\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.000000 0.000000 0.876271 O\n0.000000 0.000000 0.123729 O\n0.500000 0.000000 0.303695 O\n0.500000 0.000000 0.696305 O\n0.000000 0.500000 0.303695 O\n0.000000 0.500000 0.696305 O\n",
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{
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{
"id": "mp-1194961",
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"structure_string": "Nb4 Tl4 V8 O32\n1.0\n5.703822 0.000000 0.000000\n0.000000 9.197280 0.000000\n0.000000 0.000000 15.312732\nNb Tl V O\n4 4 8 32\ndirect\n0.250000 0.994593 0.659678 Nb\n0.250000 0.505407 0.159678 Nb\n0.750000 0.005407 0.340322 Nb\n0.750000 0.494593 0.840322 Nb\n0.250000 0.435931 0.595811 Tl\n0.250000 0.064069 0.095811 Tl\n0.750000 0.564069 0.404189 Tl\n0.750000 0.935931 0.904189 Tl\n0.250000 0.245571 0.838302 V\n0.250000 0.254429 0.338302 V\n0.750000 0.754429 0.161698 V\n0.750000 0.745571 0.661698 V\n0.250000 0.818257 0.438690 V\n0.250000 0.681743 0.938690 V\n0.750000 0.181743 0.561310 V\n0.750000 0.318257 0.061310 V\n0.998153 0.348516 0.810622 O\n0.501847 0.151484 0.310622 O\n0.498153 0.651484 0.189378 O\n0.001847 0.848516 0.689378 O\n0.001847 0.651484 0.189378 O\n0.498153 0.848516 0.689378 O\n0.501847 0.348516 0.810622 O\n0.998153 0.151484 0.310622 O\n0.995822 0.861556 0.376527 O\n0.504178 0.638444 0.876527 O\n0.495822 0.138444 0.623473 O\n0.004178 0.361556 0.123473 O\n0.004178 0.138444 0.623473 O\n0.495822 0.361556 0.123473 O\n0.504178 0.861556 0.376527 O\n0.995822 0.638444 0.876527 O\n0.250000 0.077244 0.779581 O\n0.250000 0.422756 0.279581 O\n0.750000 0.922756 0.220419 O\n0.750000 0.577244 0.720419 O\n0.250000 0.916440 0.536608 O\n0.250000 0.583560 0.036608 O\n0.750000 0.083560 0.463392 O\n0.750000 0.416440 0.963392 O\n0.250000 0.212498 0.944342 O\n0.250000 0.287502 0.444342 O\n0.750000 0.787502 0.055658 O\n0.750000 0.712498 0.555658 O\n0.250000 0.639358 0.458157 O\n0.250000 0.860642 0.958157 O\n0.750000 0.360642 0.541843 O\n0.750000 0.139358 0.041843 O\n",
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{
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"created_at": "2022-09-04T14:42:45.413192Z",
"structure_string": "Ba4 Sm2 Ga2 Te10\n1.0\n7.904620 0.000000 0.000000\n-2.806799 8.969408 0.000000\n-2.272619 -3.204619 9.450258\nBa Sm Ga Te\n4 2 2 10\ndirect\n0.353374 0.513928 0.710818 Ba\n0.646626 0.486072 0.289182 Ba\n0.639045 0.980957 0.292725 Ba\n0.360955 0.019043 0.707275 Ba\n0.998790 0.733807 0.998453 Sm\n0.001210 0.266193 0.001547 Sm\n0.808579 0.873761 0.688454 Ga\n0.191421 0.126239 0.311546 Ga\n0.484362 0.741134 0.491427 Te\n0.515638 0.258866 0.508573 Te\n0.986425 0.674671 0.677836 Te\n0.013575 0.325329 0.322164 Te\n0.985556 0.158294 0.680960 Te\n0.014444 0.841706 0.319040 Te\n0.695019 0.407484 0.941291 Te\n0.304981 0.592516 0.058709 Te\n0.703620 0.908216 0.928918 Te\n0.296380 0.091784 0.071082 Te\n",
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],
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{
"id": "mp-1246562",
"created_at": "2022-09-04T14:42:45.378205Z",
"structure_string": "Ca12 Cr24 N48\n1.0\n10.226789 0.000000 0.000000\n0.000000 10.226789 0.000000\n0.000000 0.000000 10.226789\nCa Cr N\n12 24 48\ndirect\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n-0.000000 0.500000 0.500000 Ca\n-0.000000 0.000000 0.000000 Ca\n0.122690 0.877310 0.377310 Ca\n0.877310 0.377310 0.122690 Ca\n0.377310 0.122690 0.877310 Ca\n0.622690 0.622690 0.622690 Ca\n0.877310 0.122690 0.622690 Ca\n0.122690 0.622690 0.877310 Ca\n0.622690 0.877310 0.122690 Ca\n0.377310 0.377310 0.377310 Ca\n0.376206 0.702057 0.363799 Cr\n0.623794 0.202057 0.136201 Cr\n0.123794 0.297943 0.863799 Cr\n0.876206 0.797943 0.636201 Cr\n0.363799 0.376206 0.702057 Cr\n0.136201 0.623794 0.202057 Cr\n0.863799 0.123794 0.297943 Cr\n0.636201 0.876206 0.797943 Cr\n0.702057 0.363799 0.376206 Cr\n0.202057 0.136201 0.623794 Cr\n0.297943 0.863799 0.123794 Cr\n0.797943 0.636201 0.876206 Cr\n0.623794 0.297943 0.636201 Cr\n0.376206 0.797943 0.863799 Cr\n0.876206 0.702057 0.136201 Cr\n0.123794 0.202057 0.363799 Cr\n0.636201 0.623794 0.297943 Cr\n0.863799 0.376206 0.797943 Cr\n0.136201 0.876206 0.702057 Cr\n0.363799 0.123794 0.202057 Cr\n0.297943 0.636201 0.623794 Cr\n0.797943 0.863799 0.376206 Cr\n0.702057 0.136201 0.876206 Cr\n0.202057 0.363799 0.123794 Cr\n0.359404 0.858374 0.286009 N\n0.640596 0.358374 0.213991 N\n0.140596 0.141626 0.786009 N\n0.859404 0.641626 0.713991 N\n0.286009 0.359404 0.858374 N\n0.213991 0.640596 0.358374 N\n0.786009 0.140596 0.141626 N\n0.713991 0.859404 0.641626 N\n0.858374 0.286009 0.359404 N\n0.358374 0.213991 0.640596 N\n0.141626 0.786009 0.140596 N\n0.641626 0.713991 0.859404 N\n0.640596 0.141626 0.713991 N\n0.359404 0.641626 0.786009 N\n0.859404 0.858374 0.213991 N\n0.140596 0.358374 0.286009 N\n0.713991 0.640596 0.141626 N\n0.786009 0.359404 0.641626 N\n0.213991 0.859404 0.858374 N\n0.286009 0.140596 0.358374 N\n0.141626 0.713991 0.640596 N\n0.641626 0.786009 0.359404 N\n0.858374 0.213991 0.859404 N\n0.358374 0.286009 0.140596 N\n0.421635 0.722235 0.528763 N\n0.578365 0.222235 0.971237 N\n0.078365 0.277765 0.028763 N\n0.921635 0.777765 0.471237 N\n0.528763 0.421635 0.722235 N\n0.971237 0.578365 0.222235 N\n0.028763 0.078365 0.277765 N\n0.471237 0.921635 0.777765 N\n0.722235 0.528763 0.421635 N\n0.222235 0.971237 0.578365 N\n0.277765 0.028763 0.078365 N\n0.777765 0.471237 0.921635 N\n0.578365 0.277765 0.471237 N\n0.421635 0.777765 0.028763 N\n0.921635 0.722235 0.971237 N\n0.078365 0.222235 0.528763 N\n0.471237 0.578365 0.277765 N\n0.028763 0.421635 0.777765 N\n0.971237 0.921635 0.722235 N\n0.528763 0.078365 0.222235 N\n0.277765 0.471237 0.578365 N\n0.777765 0.028763 0.421635 N\n0.722235 0.971237 0.921635 N\n0.222235 0.528763 0.078365 N\n",
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{
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"structure_string": "Ca2 V2 Si8 O30\n1.0\n5.288971 -6.820101 0.000000\n5.288971 6.820101 0.000000\n0.000000 0.000000 9.172404\nCa V Si O\n2 2 8 30\ndirect\n0.222768 0.222768 0.257359 Ca\n0.777232 0.777232 0.757359 Ca\n0.958573 0.958573 0.448612 V\n0.041427 0.041427 0.948612 V\n0.321498 0.893835 0.414492 Si\n0.893835 0.321498 0.414492 Si\n0.678502 0.106165 0.914492 Si\n0.106165 0.678502 0.914492 Si\n0.353119 0.920719 0.074960 Si\n0.920719 0.353119 0.074960 Si\n0.646881 0.079281 0.574960 Si\n0.079281 0.646881 0.574960 Si\n0.183623 0.995484 0.416441 O\n0.995484 0.183623 0.416441 O\n0.816377 0.004516 0.916441 O\n0.004516 0.816377 0.916441 O\n0.222427 0.031634 0.066648 O\n0.031634 0.222427 0.066648 O\n0.777573 0.968366 0.566648 O\n0.968366 0.777573 0.566648 O\n0.475140 0.984819 0.509856 O\n0.984819 0.475140 0.509856 O\n0.524860 0.015181 0.009856 O\n0.015181 0.524860 0.009856 O\n0.243163 0.717147 0.482418 O\n0.717147 0.243163 0.482418 O\n0.756837 0.282853 0.982418 O\n0.282853 0.756837 0.982418 O\n0.379319 0.884186 0.246352 O\n0.884186 0.379319 0.246352 O\n0.620681 0.115814 0.746352 O\n0.115814 0.620681 0.746352 O\n0.885229 0.885229 0.295137 O\n0.114771 0.114771 0.795137 O\n0.503387 0.342410 0.207764 O\n0.342410 0.503387 0.207764 O\n0.496613 0.657590 0.707764 O\n0.657590 0.496613 0.707764 O\n0.510089 0.510089 0.682745 O\n0.489911 0.489911 0.182745 O\n0.370088 0.370088 0.436685 O\n0.629912 0.629912 0.936685 O\n",
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{
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"structure_string": "Li8 Fe12 Ni4 O32\n1.0\n8.342008 0.000000 0.000000\n0.017636 8.403721 0.000000\n0.017601 0.026558 8.409926\nLi Fe Ni O\n8 12 4 32\ndirect\n0.875399 0.124622 0.621323 Li\n0.753599 0.256557 0.258988 Li\n0.252044 0.249017 0.752498 Li\n0.123891 0.376472 0.125070 Li\n0.623393 0.625382 0.376595 Li\n0.751195 0.751200 0.755611 Li\n0.253122 0.751373 0.256795 Li\n0.378379 0.874864 0.873534 Li\n0.620727 0.121451 0.873078 Fe\n0.379993 0.126187 0.121762 Fe\n0.124288 0.123109 0.378013 Fe\n0.876691 0.373642 0.874042 Fe\n0.623123 0.377490 0.617147 Fe\n0.372913 0.380119 0.370900 Fe\n0.876707 0.618737 0.125387 Fe\n0.125384 0.623354 0.879960 Fe\n0.377316 0.624008 0.623899 Fe\n0.621162 0.874743 0.125544 Fe\n0.873725 0.874837 0.377581 Fe\n0.122917 0.879030 0.627496 Fe\n0.498336 0.001110 0.503311 Ni\n0.502026 0.500927 0.999544 Ni\n0.996290 0.499048 0.494353 Ni\n0.998736 0.003122 0.996543 Ni\n0.127221 0.096529 0.620735 O\n0.903323 0.110496 0.367520 O\n0.606988 0.122279 0.118490 O\n0.399882 0.123344 0.888549 O\n0.156804 0.112485 0.127908 O\n0.359263 0.134277 0.365830 O\n0.623589 0.147607 0.632352 O\n0.849915 0.138181 0.877119 O\n0.131051 0.349953 0.378019 O\n0.374296 0.365252 0.137909 O\n0.632613 0.361424 0.857196 O\n0.849007 0.379081 0.631087 O\n0.613509 0.375639 0.400614 O\n0.392926 0.384267 0.617011 O\n0.103183 0.389437 0.868251 O\n0.873368 0.401105 0.113523 O\n0.372522 0.610612 0.402351 O\n0.610474 0.603579 0.626838 O\n0.879461 0.615613 0.897189 O\n0.101458 0.629631 0.113094 O\n0.361664 0.620599 0.853563 O\n0.133055 0.644470 0.635425 O\n0.875236 0.633861 0.347488 O\n0.646886 0.635571 0.124202 O\n0.355068 0.857065 0.623986 O\n0.123110 0.863775 0.854681 O\n0.859077 0.859625 0.128515 O\n0.638061 0.879115 0.359420 O\n0.898754 0.871080 0.611724 O\n0.119228 0.890077 0.393781 O\n0.402215 0.885334 0.124419 O\n0.625517 0.898238 0.892160 O\n",
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