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{
"id": "mp-12561",
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{
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"structure_string": "Li6 Mn3 Co1 O10\n1.0\n5.162966 0.000000 0.000000\n-1.902780 5.608317 0.000000\n-0.706576 -1.941531 6.190154\nLi Mn Co O\n6 3 1 10\ndirect\n0.800551 0.104403 0.596009 Li\n0.603357 0.693989 0.202155 Li\n0.200121 0.906354 0.391968 Li\n0.990185 0.496924 0.009477 Li\n0.406196 0.298602 0.803391 Li\n0.602995 0.203217 0.204033 Li\n0.000530 0.001773 0.001860 Mn\n0.797124 0.592396 0.592793 Mn\n0.401094 0.803495 0.804239 Mn\n0.202183 0.393478 0.392378 Co\n0.076089 0.941585 0.708647 O\n0.899366 0.558489 0.324261 O\n0.504286 0.721585 0.509164 O\n0.272141 0.336621 0.102829 O\n0.709114 0.119572 0.903043 O\n0.513387 0.272592 0.512447 O\n0.280731 0.860163 0.077919 O\n0.927913 0.064434 0.288104 O\n0.721821 0.659151 0.894658 O\n0.090817 0.471177 0.680625 O\n",
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{
"id": "mp-555548",
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"structure_string": "Mg4 Al4 P4 O20\n1.0\n10.475144 0.000000 0.000000\n0.000000 5.313950 0.000000\n0.000000 0.079942 7.193483\nMg Al P O\n4 4 4 20\ndirect\n0.143022 0.095529 0.979204 Mg\n0.856978 0.904471 0.020796 Mg\n0.356978 0.595529 0.979204 Mg\n0.643022 0.404471 0.020796 Mg\n0.170179 0.668365 0.642312 Al\n0.329821 0.168365 0.642312 Al\n0.670179 0.831635 0.357688 Al\n0.829821 0.331635 0.357688 Al\n0.906697 0.411757 0.777728 P\n0.093303 0.588243 0.222272 P\n0.593303 0.911757 0.777728 P\n0.406697 0.088243 0.222272 P\n0.212915 0.961400 0.732317 O\n0.287085 0.461400 0.732317 O\n0.039692 0.823987 0.120098 O\n0.665905 0.832047 0.601825 O\n0.016360 0.591602 0.723388 O\n0.815719 0.556110 0.909172 O\n0.460308 0.323987 0.120098 O\n0.712915 0.538600 0.267683 O\n0.787085 0.038600 0.267683 O\n0.539692 0.676013 0.879902 O\n0.315719 0.943890 0.090828 O\n0.165905 0.667953 0.398175 O\n0.684281 0.056110 0.909172 O\n0.483640 0.091602 0.723388 O\n0.960308 0.176013 0.879902 O\n0.983640 0.408398 0.276612 O\n0.516360 0.908398 0.276612 O\n0.834095 0.332047 0.601825 O\n0.334095 0.167953 0.398175 O\n0.184281 0.443890 0.090828 O\n",
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"formula_full": "Mg4 Al4 P4 O20",
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{
"id": "mp-685414",
"created_at": "2022-09-04T14:40:55.108462Z",
"structure_string": "Tb22 Cu2 Se32\n1.0\n8.696635 0.000000 0.000000\n0.000000 8.782707 0.000000\n0.000000 0.000000 17.401534\nTb Cu Se\n22 2 32\ndirect\n0.252004 0.001536 0.681387 Tb\n0.624815 0.236671 0.623912 Tb\n0.252345 0.513483 0.561070 Tb\n0.000000 0.123785 0.500000 Tb\n0.864547 0.751336 0.623187 Tb\n0.747655 0.513483 0.438930 Tb\n0.135453 0.751336 0.376813 Tb\n0.997726 0.373768 0.248079 Tb\n0.747996 0.001536 0.318613 Tb\n0.497726 0.626232 0.251921 Tb\n0.375185 0.236671 0.376088 Tb\n0.247996 0.998464 0.181387 Tb\n0.635453 0.248664 0.123187 Tb\n0.500000 0.876215 0.000000 Tb\n0.247655 0.486517 0.061070 Tb\n0.875185 0.763329 0.123912 Tb\n0.752345 0.486517 0.938930 Tb\n0.124815 0.763329 0.876088 Tb\n0.752004 0.998464 0.818613 Tb\n0.002274 0.373768 0.751921 Tb\n0.502274 0.626232 0.748079 Tb\n0.364547 0.248664 0.876813 Tb\n0.500000 0.876127 0.500000 Cu\n0.000000 0.123873 0.000000 Cu\n0.928393 0.071738 0.662216 Se\n0.321664 0.318389 0.715724 Se\n0.315614 0.195216 0.536542 Se\n0.179057 0.681807 0.713702 Se\n0.192917 0.834429 0.532787 Se\n0.567035 0.917893 0.653962 Se\n0.934544 0.433463 0.590840 Se\n0.574223 0.555569 0.591969 Se\n0.425777 0.555569 0.408031 Se\n0.807083 0.834429 0.467213 Se\n0.820943 0.681807 0.286298 Se\n0.684386 0.195216 0.463458 Se\n0.678336 0.318389 0.284276 Se\n0.432965 0.917893 0.346038 Se\n0.065456 0.433463 0.409160 Se\n0.071607 0.071738 0.337784 Se\n0.932965 0.082107 0.153962 Se\n0.320943 0.318193 0.213702 Se\n0.178336 0.681611 0.215724 Se\n0.307083 0.165571 0.032787 Se\n0.184386 0.804784 0.036542 Se\n0.925777 0.444431 0.091969 Se\n0.571607 0.928262 0.162216 Se\n0.565456 0.566537 0.090840 Se\n0.434544 0.566537 0.909160 Se\n0.815614 0.804784 0.963458 Se\n0.821664 0.681611 0.784276 Se\n0.692917 0.165571 0.967213 Se\n0.679057 0.318193 0.786298 Se\n0.428393 0.928262 0.837784 Se\n0.074223 0.444431 0.908031 Se\n0.067035 0.082107 0.846038 Se\n",
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"formula_full": "Tb22 Cu2 Se32",
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"spacegroup": 18
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{
"id": "mp-510274",
"created_at": "2022-09-04T14:40:55.126358Z",
"structure_string": "Zr8 Si16 Ru12\n1.0\n2.695404 9.545201 0.000000\n-2.695404 9.545201 0.000000\n0.000000 8.200053 10.579108\nZr Si Ru\n8 16 12\ndirect\n0.039372 0.293569 0.637179 Zr\n0.706431 0.960628 0.862821 Zr\n0.960628 0.706431 0.362821 Zr\n0.293569 0.039372 0.137179 Zr\n0.299888 0.553431 0.648353 Zr\n0.446569 0.700112 0.851647 Zr\n0.700112 0.446569 0.351647 Zr\n0.553431 0.299888 0.148353 Zr\n0.971622 0.253798 0.894891 Si\n0.746202 0.028378 0.605109 Si\n0.028378 0.746202 0.105109 Si\n0.253798 0.971622 0.394891 Si\n0.141521 0.388464 0.895522 Si\n0.611536 0.858479 0.604478 Si\n0.858479 0.611536 0.104478 Si\n0.388464 0.141521 0.395522 Si\n0.086968 0.572672 0.564982 Si\n0.427328 0.913032 0.935018 Si\n0.913032 0.427328 0.435018 Si\n0.572672 0.086968 0.064982 Si\n0.619872 0.380128 0.750000 Si\n0.380128 0.619872 0.250000 Si\n0.130108 0.869892 0.750000 Si\n0.869892 0.130108 0.250000 Si\n0.911340 0.131592 0.585052 Ru\n0.868408 0.088660 0.914948 Ru\n0.088660 0.868408 0.414948 Ru\n0.131592 0.911340 0.085052 Ru\n0.828748 0.647083 0.779491 Ru\n0.352917 0.171252 0.720509 Ru\n0.171252 0.352917 0.220509 Ru\n0.647083 0.828748 0.279491 Ru\n0.235787 0.517001 0.934188 Ru\n0.482999 0.764213 0.565812 Ru\n0.764213 0.482999 0.065812 Ru\n0.517001 0.235787 0.434188 Ru\n",
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{
"id": "mp-558736",
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"structure_string": "H12 C4 S4 N4 Cl8 O8\n1.0\n6.406558 0.000000 0.000000\n0.000000 9.701307 0.000000\n0.000000 0.000000 10.018456\nH C S N Cl O\n12 4 4 4 8 8\ndirect\n0.885272 0.843824 0.560556 H\n0.269136 0.750000 0.075917 H\n0.114728 0.156176 0.439444 H\n0.885272 0.656176 0.560556 H\n0.230864 0.250000 0.575917 H\n0.730864 0.250000 0.924083 H\n0.614728 0.343824 0.060556 H\n0.614728 0.156176 0.060556 H\n0.114728 0.343824 0.439444 H\n0.769136 0.750000 0.424083 H\n0.385272 0.656176 0.939444 H\n0.385272 0.843824 0.939444 H\n0.606931 0.250000 0.999812 C\n0.393069 0.750000 0.000188 C\n0.106931 0.250000 0.500188 C\n0.893069 0.750000 0.499812 C\n0.630459 0.750000 0.091810 S\n0.869541 0.250000 0.591810 S\n0.130459 0.750000 0.408190 S\n0.369541 0.250000 0.908190 S\n0.841491 0.750000 0.975014 N\n0.658509 0.250000 0.475014 N\n0.158509 0.250000 0.024986 N\n0.341491 0.750000 0.524986 N\n0.667219 0.397555 0.374520 Cl\n0.167219 0.102445 0.125480 Cl\n0.167219 0.397555 0.125480 Cl\n0.332781 0.602445 0.625480 Cl\n0.832781 0.897555 0.874520 Cl\n0.667219 0.102445 0.374520 Cl\n0.832781 0.602445 0.874520 Cl\n0.332781 0.897555 0.625480 Cl\n0.843293 0.378958 0.661266 O\n0.656707 0.878958 0.161266 O\n0.156707 0.878958 0.338734 O\n0.343293 0.121042 0.838734 O\n0.843293 0.121042 0.661266 O\n0.343293 0.378958 0.838734 O\n0.656707 0.621042 0.161266 O\n0.156707 0.621042 0.338734 O\n",
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"formula_full": "H12 C4 S4 N4 Cl8 O8",
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{
"id": "mp-998914",
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"structure_string": "K4 O2\n1.0\n2.138825 3.695884 0.000000\n-2.138825 3.695884 0.000000\n0.000000 2.587835 9.835633\nK O\n4 2\ndirect\n0.884352 0.884352 0.330339 K\n0.705987 0.705987 0.888763 K\n0.294013 0.294013 0.111237 K\n0.115648 0.115648 0.669661 K\n0.409060 0.409060 0.784370 O\n0.590940 0.590940 0.215630 O\n",
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{
"id": "mp-769474",
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"structure_string": "Na8 Mn4 P4 C4 O28\n1.0\n5.194535 0.000000 0.000000\n-0.015754 6.676257 0.000000\n-0.378851 -0.193413 17.897724\nNa Mn P C O\n8 4 4 4 28\ndirect\n0.755027 0.009596 0.125029 Na\n0.752393 0.486253 0.124799 Na\n0.244367 0.508155 0.380603 Na\n0.241606 0.992584 0.380844 Na\n0.754662 0.008398 0.621604 Na\n0.754253 0.491835 0.621847 Na\n0.249098 0.994182 0.871909 Na\n0.769816 0.727060 0.956137 Na\n0.222775 0.747984 0.177888 Mn\n0.779365 0.250792 0.324141 Mn\n0.220891 0.751995 0.676028 Mn\n0.787158 0.261530 0.827386 Mn\n0.294682 0.249117 0.212018 P\n0.704599 0.750003 0.289726 P\n0.286866 0.251266 0.712314 P\n0.704574 0.752821 0.788455 P\n0.275964 0.752721 0.033822 C\n0.726298 0.250542 0.462804 C\n0.271912 0.749216 0.538242 C\n0.732730 0.246501 0.962484 C\n0.713317 0.243529 0.032527 O\n0.059253 0.747249 0.072351 O\n0.487571 0.746985 0.074202 O\n0.224599 0.058963 0.165678 O\n0.224996 0.437033 0.165977 O\n0.596728 0.249492 0.226667 O\n0.830544 0.748738 0.211835 O\n0.161084 0.250291 0.288361 O\n0.400854 0.750012 0.276818 O\n0.779267 0.562782 0.334937 O\n0.780491 0.939250 0.335208 O\n0.523016 0.250977 0.418803 O\n0.944484 0.252295 0.424763 O\n0.277117 0.751612 0.468253 O\n0.726048 0.248592 0.532393 O\n0.052645 0.747615 0.575113 O\n0.474557 0.748395 0.582527 O\n0.226894 0.064532 0.663076 O\n0.222816 0.439292 0.666305 O\n0.584301 0.251103 0.732429 O\n0.848507 0.752542 0.713824 O\n0.134832 0.243814 0.785613 O\n0.409313 0.764433 0.769016 O\n0.762873 0.567986 0.836335 O\n0.774934 0.934711 0.839700 O\n0.537436 0.247553 0.915069 O\n0.956068 0.252995 0.928905 O\n0.269268 0.762576 0.963597 O\n",
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{
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{
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{
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}