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{
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"structure_string": "Li4 H8 N4\n1.0\n3.682434 0.000000 0.000000\n0.000000 4.932714 0.000000\n0.000000 0.000000 5.518688\nLi H N\n4 8 4\ndirect\n0.250000 0.587484 0.143995 Li\n0.250000 0.087484 0.356005 Li\n0.750000 0.412516 0.856005 Li\n0.750000 0.912516 0.643995 Li\n0.250000 0.207046 0.795998 H\n0.250000 0.707046 0.704002 H\n0.750000 0.792954 0.204002 H\n0.750000 0.292954 0.295998 H\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.500000 H\n0.500000 0.000000 0.000000 H\n0.000000 0.500000 0.500000 H\n0.250000 0.197965 0.983860 N\n0.250000 0.697965 0.516140 N\n0.750000 0.802035 0.016140 N\n0.750000 0.302035 0.483860 N\n",
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{
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"structure_string": "Na4 As2 P2 H16 O20\n1.0\n10.286311 0.000000 0.000000\n0.000000 5.267625 0.000000\n0.000000 0.067437 8.403630\nNa As P H O\n4 2 2 16 20\ndirect\n0.600172 0.663352 0.414674 Na\n0.100172 0.336648 0.585326 Na\n0.402997 0.174063 0.088084 Na\n0.902997 0.825937 0.911916 Na\n0.342832 0.831141 0.691778 As\n0.842832 0.168859 0.308222 As\n0.659155 0.337217 0.806858 P\n0.159155 0.662783 0.193142 P\n0.401390 0.434839 0.758045 H\n0.901390 0.565161 0.241955 H\n0.604359 0.959177 0.739822 H\n0.104359 0.040823 0.260178 H\n0.203315 0.799610 0.480464 H\n0.703315 0.200390 0.519536 H\n0.789768 0.293276 0.009731 H\n0.289768 0.706724 0.990269 H\n0.549015 0.699556 0.055539 H\n0.049015 0.300444 0.944461 H\n0.452618 0.200532 0.442169 H\n0.952618 0.799468 0.557831 H\n0.643935 0.905786 0.122310 H\n0.143935 0.094214 0.877690 H\n0.355315 0.405478 0.374912 H\n0.855315 0.594522 0.625088 H\n0.305396 0.934076 0.876866 O\n0.805396 0.065924 0.123134 O\n0.687509 0.433394 0.638106 O\n0.187509 0.566606 0.361894 O\n0.325634 0.496604 0.689160 O\n0.825634 0.503396 0.310840 O\n0.674401 0.034014 0.811552 O\n0.174401 0.965986 0.188448 O\n0.557067 0.828071 0.139265 O\n0.057067 0.171929 0.860735 O\n0.442430 0.331537 0.358158 O\n0.942430 0.668463 0.641842 O\n0.485952 0.926324 0.612479 O\n0.985952 0.073676 0.387521 O\n0.527612 0.416486 0.875479 O\n0.027612 0.583514 0.124521 O\n0.214995 0.931272 0.568207 O\n0.714995 0.068728 0.431793 O\n0.774133 0.426626 0.919955 O\n0.274133 0.573374 0.080045 O\n",
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"formula_full": "Na4 As2 P2 H16 O20",
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{
"id": "mp-21880",
"created_at": "2022-09-04T14:41:08.221673Z",
"structure_string": "Na4 Fe4 O8\n1.0\n5.638018 0.000099 -0.000028\n0.000100 5.672457 0.000011\n-0.000036 0.000015 7.278730\nNa Fe O\n4 4 8\ndirect\n0.802470 0.802554 0.999753 Na\n0.302490 0.697389 0.750242 Na\n0.697506 0.302611 0.250241 Na\n0.197529 0.197441 0.499752 Na\n0.313949 0.687624 0.250013 Fe\n0.186052 0.187618 0.999988 Fe\n0.813954 0.812389 0.499993 Fe\n0.686057 0.312379 0.750004 Fe\n0.145580 0.778315 0.462734 O\n0.854416 0.221682 0.962725 O\n0.779327 0.146711 0.534549 O\n0.279321 0.353296 0.215451 O\n0.720679 0.646710 0.715452 O\n0.220667 0.853288 0.034549 O\n0.645575 0.721664 0.287281 O\n0.354429 0.278331 0.787271 O\n",
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{
"id": "mp-865716",
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"structure_string": "Yb2 Cl4\n1.0\n6.389177 0.000000 0.000000\n0.000000 6.389177 0.000000\n0.000000 0.000000 4.158021\nYb Cl\n2 4\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Yb\n0.303275 0.303275 0.000000 Cl\n0.696725 0.696725 0.000000 Cl\n0.196725 0.803275 0.500000 Cl\n0.803275 0.196725 0.500000 Cl\n",
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{
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"created_at": "2022-09-04T14:39:36.222948Z",
"structure_string": "K4 Mn4 O8\n1.0\n5.813679 0.000229 -0.000006\n-2.907089 -6.682739 0.001130\n0.000002 -0.000036 -6.539878\nK Mn O\n4 4 8\ndirect\n0.499995 0.499985 0.000113 K\n0.999995 0.499985 0.000113 K\n0.999985 0.999975 0.499881 K\n0.499985 0.999975 0.499881 K\n0.499995 0.499985 0.500141 Mn\n0.499995 0.000002 0.999869 Mn\n0.999997 0.499987 0.500142 Mn\n0.999993 0.999998 0.999869 Mn\n0.193869 0.387746 0.341963 O\n0.693878 0.387746 0.341963 O\n0.693880 0.887753 0.158004 O\n0.193871 0.887752 0.158005 O\n0.806157 0.612304 0.658261 O\n0.306148 0.612303 0.658261 O\n0.306146 0.112299 0.841766 O\n0.806154 0.112300 0.841766 O\n",
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{
"id": "mp-504924",
"created_at": "2022-09-04T14:41:22.175485Z",
"structure_string": "Cs16 Te16 O40\n1.0\n11.167879 0.000000 0.000000\n0.000000 12.270626 0.000000\n0.000000 0.000000 12.307533\nCs Te O\n16 16 40\ndirect\n0.250571 0.247757 0.752662 Cs\n0.787723 0.004114 0.002789 Cs\n0.250571 0.747757 0.747338 Cs\n0.712277 0.004114 0.502789 Cs\n0.749429 0.252243 0.252662 Cs\n0.249429 0.747757 0.247338 Cs\n0.249429 0.247757 0.252662 Cs\n0.287723 0.995886 0.497211 Cs\n0.750571 0.752243 0.747338 Cs\n0.712277 0.504114 0.997211 Cs\n0.212277 0.495886 0.502789 Cs\n0.787723 0.504114 0.497211 Cs\n0.750571 0.252243 0.752662 Cs\n0.212277 0.995886 0.997211 Cs\n0.749429 0.752243 0.247338 Cs\n0.287723 0.495886 0.002789 Cs\n0.503702 0.989030 0.761370 Te\n0.005565 0.737666 0.986157 Te\n0.494435 0.737666 0.486157 Te\n0.003702 0.010970 0.738630 Te\n0.496298 0.510970 0.261370 Te\n0.503702 0.489030 0.738630 Te\n0.005565 0.237666 0.513843 Te\n0.994435 0.762334 0.486157 Te\n0.996298 0.489030 0.238630 Te\n0.505565 0.262334 0.513843 Te\n0.994435 0.262334 0.013843 Te\n0.494435 0.237666 0.013843 Te\n0.505565 0.762334 0.986157 Te\n0.496298 0.010970 0.238630 Te\n0.003702 0.510970 0.761370 Te\n0.996298 0.989030 0.261370 Te\n0.668711 0.005493 0.773298 O\n0.467789 0.891953 0.890981 O\n0.008158 0.384632 0.348943 O\n0.991842 0.615368 0.651057 O\n0.331289 0.494507 0.273298 O\n0.171246 0.727397 0.996897 O\n0.491842 0.384632 0.848943 O\n0.831289 0.005493 0.273298 O\n0.985826 0.848718 0.883137 O\n0.328754 0.727397 0.496897 O\n0.828754 0.272603 0.003103 O\n0.032211 0.391953 0.109019 O\n0.967789 0.108047 0.609019 O\n0.485826 0.151282 0.616863 O\n0.831289 0.505493 0.226702 O\n0.485826 0.651282 0.883137 O\n0.668711 0.505493 0.726702 O\n0.828754 0.772603 0.496897 O\n0.168711 0.494507 0.773298 O\n0.014174 0.151282 0.116863 O\n0.514174 0.348718 0.116863 O\n0.671246 0.272603 0.503103 O\n0.985826 0.348718 0.616863 O\n0.508158 0.115368 0.348943 O\n0.532211 0.108047 0.109019 O\n0.991842 0.115368 0.848943 O\n0.008158 0.884632 0.151057 O\n0.168711 0.994507 0.726702 O\n0.014174 0.651282 0.383137 O\n0.491842 0.884632 0.651057 O\n0.514174 0.848718 0.383137 O\n0.331289 0.994507 0.226702 O\n0.532211 0.608047 0.390981 O\n0.508158 0.615368 0.151057 O\n0.171246 0.227397 0.503103 O\n0.328754 0.227397 0.003103 O\n0.671246 0.772603 0.996897 O\n0.967789 0.608047 0.890981 O\n0.032211 0.891953 0.390981 O\n0.467789 0.391953 0.609019 O\n",
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{
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"structure_string": "Ba8 Sm4 Bi4 O24\n1.0\n8.810118 -0.000000 0.000000\n0.000000 8.810118 0.000000\n0.000000 0.000000 8.810118\nBa Sm Bi O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n0.500000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Ba\n0.250000 0.250000 0.250000 Sm\n0.250000 0.750000 0.750000 Sm\n0.750000 0.250000 0.750000 Sm\n0.750000 0.750000 0.250000 Sm\n0.750000 0.750000 0.750000 Bi\n0.750000 0.250000 0.250000 Bi\n0.250000 0.750000 0.250000 Bi\n0.250000 0.250000 0.750000 Bi\n0.228213 0.273415 0.508949 O\n0.228213 0.726585 0.491051 O\n0.771787 0.273415 0.491051 O\n0.771787 0.726585 0.508949 O\n0.273415 0.508949 0.228213 O\n0.726585 0.491051 0.228213 O\n0.273415 0.491051 0.771787 O\n0.726585 0.508949 0.771787 O\n0.508949 0.228213 0.273415 O\n0.491051 0.228213 0.726585 O\n0.491051 0.771787 0.273415 O\n0.508949 0.771787 0.726585 O\n0.271787 0.226585 0.991051 O\n0.271787 0.773415 0.008949 O\n0.728213 0.226585 0.008949 O\n0.728213 0.773415 0.991051 O\n0.226585 0.991051 0.271787 O\n0.773415 0.008949 0.271787 O\n0.226585 0.008949 0.728213 O\n0.773415 0.991051 0.728213 O\n0.991051 0.271787 0.226585 O\n0.008949 0.271787 0.773415 O\n0.008949 0.728213 0.226585 O\n0.991051 0.728213 0.773415 O\n",
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{
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{
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"structure_string": "K4 Th2 F12\n1.0\n6.399352 3.713492 0.000000\n-6.399352 3.713492 0.000000\n0.000000 2.223346 6.935082\nK Th F\n4 2 12\ndirect\n0.914503 0.085497 0.750000 K\n0.242692 0.757308 0.750000 K\n0.085497 0.914503 0.250000 K\n0.757308 0.242692 0.250000 K\n0.584285 0.415715 0.750000 Th\n0.415715 0.584285 0.250000 Th\n0.897137 0.744468 0.635478 F\n0.622051 0.168369 0.627314 F\n0.102863 0.255532 0.364522 F\n0.475321 0.334308 0.107776 F\n0.665692 0.524679 0.392224 F\n0.334308 0.475321 0.607776 F\n0.168369 0.622051 0.127314 F\n0.524679 0.665692 0.892224 F\n0.377949 0.831631 0.372686 F\n0.744468 0.897137 0.135478 F\n0.255532 0.102863 0.864522 F\n0.831631 0.377949 0.872686 F\n",
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{
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"structure_string": "Sr2 H2 Cl2 O2\n1.0\n2.091293 -3.622225 0.000000\n2.091293 3.622225 0.000000\n0.000000 0.000000 10.079665\nSr H Cl O\n2 2 2 2\ndirect\n0.666667 0.333333 0.197224 Sr\n0.333333 0.666667 0.697224 Sr\n0.000000 0.000000 0.860250 H\n0.000000 0.000000 0.360250 H\n0.333333 0.666667 0.010616 Cl\n0.666667 0.333333 0.510616 Cl\n0.000000 0.000000 0.263410 O\n0.000000 0.000000 0.763410 O\n",
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{
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{
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"structure_string": "Mn4 Zn2 O8\n1.0\n-5.803591 -0.006313 -0.000048\n0.006313 5.803589 0.000051\n2.898600 -2.898679 -4.698291\nMn Zn O\n4 2 8\ndirect\n0.374999 0.625000 0.250000 Mn\n0.375000 0.124999 0.750000 Mn\n0.875001 0.625001 0.250001 Mn\n0.375000 0.625000 0.750000 Mn\n0.750000 0.250000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.141318 0.868652 0.737050 O\n0.595732 0.868401 0.737050 O\n0.154268 0.381599 0.762950 O\n0.608682 0.381348 0.762950 O\n0.131603 0.404268 0.262950 O\n0.131352 0.858682 0.262950 O\n0.618648 0.391318 0.237050 O\n0.618397 0.845732 0.237050 O\n",
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}