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{
"id": "mp-1228128",
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"structure_string": "Ba3 Sr1 Sn12\n1.0\n5.341041 0.000000 0.000000\n0.000000 7.354143 0.000000\n0.000000 0.000000 12.980472\nBa Sr Sn\n3 1 12\ndirect\n0.000000 0.000000 0.667270 Ba\n0.500000 0.000000 0.332632 Ba\n0.500000 0.500000 0.833505 Ba\n0.000000 0.500000 0.166633 Sr\n0.500000 0.500000 0.354114 Sn\n0.500000 0.000000 0.858816 Sn\n0.500000 0.781980 0.072590 Sn\n0.500000 0.287546 0.570053 Sn\n0.500000 0.218020 0.072590 Sn\n0.500000 0.712454 0.570053 Sn\n0.000000 0.000000 0.143161 Sn\n0.000000 0.500000 0.642268 Sn\n0.000000 0.712192 0.427670 Sn\n0.000000 0.214193 0.930486 Sn\n0.000000 0.287808 0.427670 Sn\n0.000000 0.785807 0.930486 Sn\n",
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{
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"structure_string": "Na8 Mg4 Si20 O48\n1.0\n-5.771473 5.771473 5.751919\n5.771473 -5.771473 5.751919\n5.771473 5.771473 -5.751919\nNa Mg Si O\n8 4 20 48\ndirect\n0.000642 0.625000 0.875642 Na\n0.500642 0.625000 0.375642 Na\n0.249358 0.125000 0.624358 Na\n0.749358 0.125000 0.124358 Na\n0.375000 0.250642 0.375642 Na\n0.875000 0.499358 0.124358 Na\n0.375000 0.750642 0.875642 Na\n0.875000 0.999358 0.624358 Na\n0.750000 0.750000 0.000000 Mg\n0.250000 0.250000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.375000 0.999456 0.124456 Si\n0.875000 0.750544 0.375544 Si\n0.750000 0.250000 0.500000 Si\n0.250000 0.750000 0.500000 Si\n0.375000 0.499456 0.624456 Si\n0.875000 0.250544 0.875544 Si\n0.749456 0.625000 0.624456 Si\n0.249456 0.625000 0.124456 Si\n0.000544 0.125000 0.375544 Si\n0.500544 0.125000 0.875544 Si\n0.125000 0.875000 0.250000 Si\n0.625000 0.375000 0.250000 Si\n0.625000 0.375000 0.750000 Si\n0.125000 0.375000 0.250000 Si\n0.625000 0.875000 0.750000 Si\n0.125000 0.375000 0.750000 Si\n0.625000 0.875000 0.250000 Si\n0.125000 0.875000 0.750000 Si\n0.004455 0.864531 0.058985 O\n0.504455 0.445470 0.139924 O\n0.436783 0.370002 0.642189 O\n0.936783 0.294595 0.066781 O\n0.245545 0.885469 0.441015 O\n0.745545 0.304530 0.360076 O\n0.813217 0.379998 0.857811 O\n0.313217 0.455405 0.433219 O\n0.444454 0.804530 0.558985 O\n0.944454 0.385469 0.639924 O\n0.522186 0.955405 0.142189 O\n0.022186 0.879998 0.566781 O\n0.805546 0.945470 0.941015 O\n0.305546 0.364531 0.860076 O\n0.727814 0.794595 0.357811 O\n0.227814 0.870002 0.933219 O\n0.120002 0.686783 0.142189 O\n0.620002 0.477814 0.433219 O\n0.514684 0.184982 0.741659 O\n0.014684 0.273026 0.329703 O\n0.129998 0.063217 0.357811 O\n0.629998 0.272186 0.066781 O\n0.735316 0.565018 0.758341 O\n0.235316 0.476974 0.170297 O\n0.705405 0.772186 0.642189 O\n0.205405 0.563217 0.933219 O\n0.806677 0.976974 0.241659 O\n0.306677 0.065018 0.829703 O\n0.544595 0.977814 0.857811 O\n0.044595 0.186783 0.566781 O\n0.443323 0.773026 0.258341 O\n0.943323 0.684982 0.670297 O\n0.934982 0.764684 0.241659 O\n0.434982 0.193323 0.170297 O\n0.614531 0.254455 0.558985 O\n0.114531 0.555546 0.360076 O\n0.315018 0.985316 0.258341 O\n0.815018 0.556677 0.329703 O\n0.635469 0.495545 0.941015 O\n0.135469 0.194454 0.139924 O\n0.726974 0.056677 0.741659 O\n0.226974 0.485316 0.670297 O\n0.554530 0.694454 0.058985 O\n0.054530 0.995545 0.860076 O\n0.523026 0.693323 0.758341 O\n0.023026 0.264684 0.829703 O\n0.695470 0.055546 0.441015 O\n0.195470 0.754455 0.639924 O\n",
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{
"id": "mp-1246806",
"created_at": "2022-09-04T14:44:29.586937Z",
"structure_string": "Li17 Cl5 O6\n1.0\n3.836373 0.000000 0.000000\n0.000000 -0.004837 5.579158\n0.000000 -16.716989 -0.938296\nLi Cl O\n17 5 6\ndirect\n0.500000 0.266607 0.909812 Li\n0.500000 0.240522 0.566891 Li\n0.500000 0.333437 0.240681 Li\n0.500000 0.717195 0.752808 Li\n0.500000 0.678869 0.435350 Li\n0.500000 0.771441 0.082930 Li\n0.500000 0.207286 0.741622 Li\n0.500000 0.273430 0.077862 Li\n0.500000 0.756536 0.916416 Li\n0.500000 0.729504 0.594215 Li\n0.500000 0.801042 0.249326 Li\n0.000000 0.990843 0.828634 Li\n0.000000 0.973608 0.503552 Li\n0.000000 0.041756 0.159038 Li\n0.000000 0.515246 0.996507 Li\n0.000000 0.460181 0.664020 Li\n0.000000 0.526277 0.343131 Li\n0.000000 0.491512 0.836344 Cl\n0.000000 0.441460 0.493338 Cl\n0.000000 0.538442 0.161203 Cl\n0.000000 0.014410 0.009490 Cl\n0.000000 0.960068 0.677554 Cl\n0.500000 0.990502 0.836191 O\n0.500000 0.937002 0.510260 O\n0.500000 0.044204 0.173800 O\n0.500000 0.515206 0.998308 O\n0.500000 0.462892 0.665827 O\n0.500000 0.570517 0.324892 O\n",
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"formula_full": "Li17 Cl5 O6",
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{
"id": "mp-1195917",
"created_at": "2022-09-04T14:44:29.599557Z",
"structure_string": "Na2 B14 H28 C4 N4 O28\n1.0\n7.541253 -0.101739 -0.770854\n-1.876008 8.244941 -0.779237\n0.255413 -0.240231 11.637015\nNa B H C N O\n2 14 28 4 4 28\ndirect\n0.616498 0.803998 0.005634 Na\n0.383502 0.196002 0.994366 Na\n0.293587 0.871748 0.820273 B\n0.706413 0.128252 0.179727 B\n0.216321 0.641675 0.938983 B\n0.783679 0.358325 0.061017 B\n0.985708 0.791210 0.891135 B\n0.014292 0.208790 0.108865 B\n0.346343 0.867483 0.608479 B\n0.653657 0.132517 0.391521 B\n0.552477 0.083960 0.756518 B\n0.447523 0.916040 0.243482 B\n0.886968 0.208572 0.776870 B\n0.113032 0.791428 0.223130 B\n0.681425 0.382571 0.749988 B\n0.318575 0.617429 0.250012 B\n0.154035 0.445571 0.012494 H\n0.845965 0.554429 0.987506 H\n0.372831 0.869721 0.443951 H\n0.627169 0.130279 0.556049 H\n0.081276 0.085952 0.805528 H\n0.918724 0.914048 0.194472 H\n0.718457 0.637102 0.802012 H\n0.281543 0.362898 0.197988 H\n0.986547 0.815313 0.640620 H\n0.013453 0.184687 0.359380 H\n0.810678 0.904493 0.663163 H\n0.189322 0.095507 0.336837 H\n0.783699 0.705480 0.664457 H\n0.216301 0.294519 0.335543 H\n0.798646 0.625394 0.269451 H\n0.201354 0.374606 0.730549 H\n0.762704 0.428614 0.299508 H\n0.237296 0.571386 0.700492 H\n0.596527 0.527396 0.308889 H\n0.403473 0.472604 0.691111 H\n0.637666 0.762366 0.483455 H\n0.362334 0.237634 0.516545 H\n0.854423 0.861340 0.449082 H\n0.145577 0.138660 0.550918 H\n0.966468 0.610523 0.449714 H\n0.033532 0.389477 0.550286 H\n0.761480 0.505601 0.499427 H\n0.238520 0.494399 0.500573 H\n0.783112 0.763964 0.494308 C\n0.216888 0.236036 0.505692 C\n0.818872 0.600049 0.446926 C\n0.181128 0.399951 0.553074 C\n0.846438 0.801633 0.621683 N\n0.153562 0.198367 0.378317 N\n0.739396 0.543436 0.323840 N\n0.260604 0.456564 0.676160 N\n0.338560 0.738701 0.881493 O\n0.661440 0.261299 0.118507 O\n0.045887 0.672758 0.951044 O\n0.954113 0.327242 0.048956 O\n0.121164 0.912219 0.856970 O\n0.878836 0.087781 0.143030 O\n0.262182 0.511783 0.982755 O\n0.737818 0.488217 0.017245 O\n0.806726 0.773508 0.867393 O\n0.193274 0.226492 0.132607 O\n0.244287 0.800415 0.691422 O\n0.755713 0.199585 0.308578 O\n0.494217 0.995622 0.635440 O\n0.505783 0.004378 0.364560 O\n0.441291 0.012745 0.840521 O\n0.558709 0.987255 0.159479 O\n0.293878 0.801243 0.493121 O\n0.706122 0.198757 0.506879 O\n0.747454 0.077604 0.778310 O\n0.252546 0.922396 0.221690 O\n0.860936 0.362825 0.762319 O\n0.139064 0.637175 0.237681 O\n0.537560 0.254866 0.752954 O\n0.462440 0.745134 0.247046 O\n0.065617 0.192482 0.782177 O\n0.934383 0.807518 0.217823 O\n0.648348 0.532256 0.731861 O\n0.351652 0.467744 0.268139 O\n",
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{
"id": "mp-29607",
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"structure_string": "Ag1 Te6 Mo6\n1.0\n2.307442 9.264261 0.000000\n-2.307442 9.264261 0.000000\n0.000000 5.052239 8.280108\nAg Te Mo\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Ag\n0.121776 0.121776 0.388523 Te\n0.544179 0.544179 0.162580 Te\n0.455821 0.455821 0.837420 Te\n0.822056 0.822056 0.247453 Te\n0.177944 0.177944 0.752547 Te\n0.878224 0.878224 0.611477 Te\n0.714194 0.714194 0.888014 Mo\n0.285806 0.285806 0.111986 Mo\n0.846014 0.846014 0.930240 Mo\n0.153986 0.153986 0.069760 Mo\n0.688992 0.688992 0.185072 Mo\n0.311008 0.311008 0.814928 Mo\n",
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"formula_full": "Ag1 Te6 Mo6",
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{
"id": "mp-767194",
"created_at": "2022-09-04T14:44:52.539754Z",
"structure_string": "Li4 Ti11 O24\n1.0\n2.991544 9.860538 0.000000\n-2.991544 9.860538 0.000000\n0.000000 3.603183 7.647601\nLi Ti O\n4 11 24\ndirect\n0.002144 0.002144 0.999388 Li\n0.334275 0.334275 0.671257 Li\n0.831161 0.831161 0.415706 Li\n0.416691 0.416691 0.208272 Li\n0.253514 0.253514 0.371139 Ti\n0.084956 0.084956 0.527147 Ti\n0.095655 0.576835 0.046052 Ti\n0.576835 0.095655 0.046052 Ti\n0.746953 0.746953 0.892453 Ti\n0.918471 0.918471 0.707649 Ti\n0.578263 0.578263 0.043917 Ti\n0.255947 0.740467 0.371415 Ti\n0.913618 0.418153 0.708330 Ti\n0.418153 0.913618 0.708330 Ti\n0.740467 0.255947 0.371415 Ti\n0.593367 0.593367 0.795302 O\n0.093146 0.093146 0.772839 O\n0.382458 0.949139 0.478534 O\n0.949139 0.382458 0.478534 O\n0.560157 0.093858 0.280419 O\n0.093858 0.560157 0.280419 O\n0.402792 0.402792 0.973077 O\n0.260040 0.260040 0.132210 O\n0.073049 0.073049 0.319517 O\n0.909299 0.909299 0.953474 O\n0.760611 0.760611 0.095414 O\n0.572324 0.572324 0.285470 O\n0.053887 0.613617 0.803291 O\n0.613617 0.053887 0.803291 O\n0.784250 0.214292 0.609726 O\n0.885544 0.450279 0.938038 O\n0.450279 0.885544 0.938038 O\n0.214292 0.784250 0.609726 O\n0.923702 0.923702 0.461680 O\n0.740483 0.740483 0.642421 O\n0.242474 0.242474 0.621340 O\n0.428396 0.428396 0.448446 O\n0.739703 0.272678 0.136799 O\n0.272678 0.739703 0.136799 O\n",
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{
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{
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