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{
"id": "mp-1427",
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"structure_string": "Lu16 O24\n1.0\n-5.182375 5.182375 5.182375\n5.182375 -5.182375 5.182375\n5.182375 5.182375 -5.182375\nLu O\n16 24\ndirect\n0.716511 0.466511 0.250000 Lu\n0.750000 0.783489 0.033489 Lu\n0.033489 0.750000 0.783489 Lu\n0.250000 0.716511 0.466511 Lu\n0.466511 0.250000 0.716511 Lu\n0.783489 0.033489 0.750000 Lu\n0.283489 0.533489 0.750000 Lu\n0.250000 0.216511 0.966511 Lu\n0.966511 0.250000 0.216511 Lu\n0.750000 0.283489 0.533489 Lu\n0.533489 0.750000 0.283489 Lu\n0.216511 0.966511 0.250000 Lu\n0.500000 0.000000 0.000000 Lu\n0.000000 0.000000 0.500000 Lu\n0.000000 0.500000 0.000000 Lu\n0.500000 0.500000 0.500000 Lu\n0.488853 0.761204 0.032616 O\n0.271412 0.738796 0.227649 O\n0.011147 0.043763 0.272351 O\n0.456237 0.467384 0.228588 O\n0.467384 0.228588 0.456237 O\n0.032616 0.488853 0.761204 O\n0.738796 0.227649 0.271412 O\n0.272351 0.011147 0.043763 O\n0.761204 0.032616 0.488853 O\n0.227649 0.271412 0.738796 O\n0.043763 0.272351 0.011147 O\n0.228588 0.456237 0.467384 O\n0.511147 0.238796 0.967384 O\n0.728588 0.261204 0.772351 O\n0.988853 0.956237 0.727649 O\n0.543763 0.532616 0.771412 O\n0.771412 0.543763 0.532616 O\n0.956237 0.727649 0.988853 O\n0.772351 0.728588 0.261204 O\n0.238796 0.967384 0.511147 O\n0.727649 0.988853 0.956237 O\n0.261204 0.772351 0.728588 O\n0.967384 0.511147 0.238796 O\n0.532616 0.771412 0.543763 O\n",
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{
"id": "mp-1219139",
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"structure_string": "Sm1 Er3 Fe34\n1.0\n0.000000 0.000000 -8.263686\n-8.433022 0.000000 0.000000\n-4.216511 7.300065 0.000000\nSm Er Fe\n1 3 34\ndirect\n0.250000 0.666724 0.666551 Sm\n0.750000 0.333300 0.333400 Er\n0.750000 0.999942 0.000117 Er\n0.250000 0.999920 0.000161 Er\n0.608608 0.666690 0.666620 Fe\n0.392434 0.333321 0.333358 Fe\n0.107566 0.333321 0.333358 Fe\n0.891392 0.666690 0.666620 Fe\n0.488720 0.834903 0.834874 Fe\n0.488767 0.834930 0.330139 Fe\n0.488720 0.330223 0.834874 Fe\n0.512822 0.165998 0.165998 Fe\n0.512894 0.165984 0.668031 Fe\n0.512822 0.668004 0.165998 Fe\n0.987178 0.165998 0.165998 Fe\n0.987106 0.165984 0.668031 Fe\n0.987178 0.668004 0.165998 Fe\n0.011280 0.834903 0.834874 Fe\n0.011233 0.834930 0.330139 Fe\n0.011280 0.330223 0.834874 Fe\n0.500879 0.499331 0.499300 Fe\n0.500864 0.499317 0.001367 Fe\n0.500879 0.001369 0.499300 Fe\n0.999121 0.499331 0.499300 Fe\n0.999136 0.499317 0.001367 Fe\n0.999121 0.001369 0.499300 Fe\n0.750000 0.670372 0.363398 Fe\n0.750000 0.363400 0.966251 Fe\n0.750000 0.966212 0.670359 Fe\n0.750000 0.363429 0.670359 Fe\n0.750000 0.966230 0.363398 Fe\n0.750000 0.670349 0.966251 Fe\n0.250000 0.328542 0.635425 Fe\n0.250000 0.635433 0.036022 Fe\n0.250000 0.035922 0.328571 Fe\n0.250000 0.635507 0.328571 Fe\n0.250000 0.036033 0.635425 Fe\n0.250000 0.328545 0.036022 Fe\n",
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"elements": [
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"density": 8.326320920038293,
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"volume": 508.7258043353511,
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"formula_full": "Sm1 Er3 Fe34",
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},
{
"id": "mp-1222058",
"created_at": "2022-09-04T14:48:19.544946Z",
"structure_string": "Na26 Ge14 Au41\n1.0\n-7.427906 7.433518 7.462108\n7.427906 -7.433518 7.462108\n7.427906 7.433518 -7.462108\nNa Ge Au\n26 14 41\ndirect\n0.000103 0.119941 0.500039 Na\n0.380098 0.880059 0.880162 Na\n0.999897 0.499936 0.119838 Na\n0.619902 0.500064 0.499961 Na\n0.999897 0.880059 0.499961 Na\n0.619902 0.119941 0.119838 Na\n0.000103 0.500064 0.880162 Na\n0.380098 0.499936 0.500039 Na\n0.694939 0.694939 0.000000 Na\n0.305061 0.305061 0.000000 Na\n0.194238 0.000000 0.194238 Na\n0.805762 0.000000 0.805762 Na\n0.500000 0.802267 0.302267 Na\n0.500000 0.197733 0.697733 Na\n0.691142 0.079026 0.387884 Na\n0.308858 0.920974 0.612116 Na\n0.308858 0.696742 0.387884 Na\n0.691142 0.303258 0.612116 Na\n0.800158 0.610919 0.189239 Na\n0.199842 0.389081 0.810761 Na\n0.421680 0.610919 0.810761 Na\n0.578320 0.389081 0.189239 Na\n0.111131 0.810739 0.921870 Na\n0.888869 0.189261 0.078130 Na\n0.111131 0.189261 0.300392 Na\n0.888869 0.810739 0.699608 Na\n0.800896 0.992942 0.192046 Ge\n0.199104 0.007058 0.807954 Ge\n0.199104 0.391150 0.192046 Ge\n0.800896 0.608850 0.807954 Ge\n0.105315 0.805508 0.299807 Ge\n0.894685 0.194492 0.700193 Ge\n0.505701 0.805508 0.700193 Ge\n0.494299 0.194492 0.299807 Ge\n0.307583 0.699297 0.006880 Ge\n0.692417 0.300703 0.993120 Ge\n0.307583 0.300703 0.608286 Ge\n0.692417 0.699297 0.391714 Ge\n0.590085 0.000000 0.590085 Ge\n0.409915 0.000000 0.409915 Ge\n0.957345 0.908557 0.244293 Au\n0.335737 0.091443 0.048789 Au\n0.042655 0.286948 0.951211 Au\n0.664263 0.713052 0.755707 Au\n0.215640 0.759313 0.167850 Au\n0.784360 0.952210 0.543673 Au\n0.591463 0.047790 0.832150 Au\n0.408537 0.240687 0.456327 Au\n0.548695 0.836114 0.091728 Au\n0.744386 0.456968 0.908272 Au\n0.255614 0.163886 0.712582 Au\n0.451305 0.543032 0.287418 Au\n0.042655 0.091443 0.755707 Au\n0.664263 0.908557 0.951211 Au\n0.957345 0.713052 0.048789 Au\n0.335737 0.286948 0.244293 Au\n0.784360 0.240687 0.832150 Au\n0.215640 0.047790 0.456327 Au\n0.408537 0.952210 0.167850 Au\n0.591463 0.759313 0.543673 Au\n0.451305 0.163886 0.908272 Au\n0.255614 0.543032 0.091728 Au\n0.744386 0.836114 0.287418 Au\n0.548695 0.456968 0.712582 Au\n0.896592 0.231275 0.334682 Au\n0.103408 0.768725 0.665318 Au\n0.103408 0.438090 0.334682 Au\n0.896592 0.561910 0.665318 Au\n0.061940 0.664982 0.396958 Au\n0.938060 0.335018 0.603042 Au\n0.268024 0.664982 0.603042 Au\n0.731976 0.335018 0.396958 Au\n0.165230 0.603588 0.768817 Au\n0.834770 0.396412 0.231183 Au\n0.165230 0.396412 0.561642 Au\n0.834770 0.603588 0.438358 Au\n0.000000 0.500000 0.500000 Au\n0.500000 0.407466 0.907466 Au\n0.500000 0.592534 0.092534 Au\n0.092205 0.092205 0.000000 Au\n0.907795 0.907795 0.000000 Au\n",
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"elements": [
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"Ge",
"Au"
],
"chemical_system": "Au-Ge-Na",
"density": 9.76348913655366,
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"volume": 1648.0952897946531,
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"formula_full": "Na26 Ge14 Au41",
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},
{
"id": "mp-1219808",
"created_at": "2022-09-04T14:48:19.555064Z",
"structure_string": "Pu1 U4 N5\n1.0\n-1.720045 1.720045 12.192379\n1.720045 -1.720045 12.192379\n1.720045 1.720045 -12.192379\nPu U N\n1 4 5\ndirect\n0.500000 0.500000 0.000000 Pu\n0.900715 0.900715 0.000000 U\n0.299953 0.299953 0.000000 U\n0.700047 0.700047 0.000000 U\n0.099285 0.099285 0.000000 U\n0.199770 0.199770 0.000000 N\n0.399260 0.399260 0.000000 N\n0.800230 0.800230 0.000000 N\n0.600740 0.600740 0.000000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 10,
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"formula_full": "Pu1 U4 N5",
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{
"id": "mp-30768",
"created_at": "2022-09-04T14:48:19.602062Z",
"structure_string": "Li14 Sn6\n1.0\n4.743202 0.000000 0.000000\n0.000000 8.531777 0.000000\n0.000000 2.624543 9.090272\nLi Sn\n14 6\ndirect\n0.750000 0.396302 0.275102 Li\n0.250000 0.603698 0.724898 Li\n0.750000 0.006967 0.872697 Li\n0.250000 0.993033 0.127303 Li\n0.750000 0.994431 0.379250 Li\n0.250000 0.005569 0.620750 Li\n0.750000 0.800375 0.681727 Li\n0.250000 0.199625 0.318273 Li\n0.750000 0.812173 0.169822 Li\n0.250000 0.187827 0.830178 Li\n0.750000 0.599822 0.466250 Li\n0.250000 0.400178 0.533750 Li\n0.750000 0.601715 0.985556 Li\n0.250000 0.398285 0.014444 Li\n0.750000 0.404202 0.776008 Sn\n0.250000 0.595798 0.223992 Sn\n0.750000 0.193984 0.085608 Sn\n0.250000 0.806016 0.914392 Sn\n0.750000 0.197131 0.567666 Sn\n0.250000 0.802869 0.432334 Sn\n",
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{
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"structure_string": "Mo12 S12 O72\n1.0\n6.194549 13.616952 0.000000\n-6.194549 13.616952 0.000000\n0.000000 2.228274 8.555967\nMo S O\n12 12 72\ndirect\n0.457709 0.700734 0.891872 Mo\n0.958133 0.209812 0.901583 Mo\n0.640321 0.873155 0.261391 Mo\n0.873155 0.640321 0.761391 Mo\n0.542291 0.299266 0.108128 Mo\n0.700734 0.457709 0.391872 Mo\n0.299266 0.542291 0.608128 Mo\n0.790188 0.041867 0.598417 Mo\n0.126845 0.359679 0.238609 Mo\n0.359679 0.126845 0.738609 Mo\n0.041867 0.790188 0.098417 Mo\n0.209812 0.958133 0.401583 Mo\n0.583591 0.842462 0.683273 S\n0.180595 0.928956 0.028204 S\n0.250420 0.504720 0.241208 S\n0.495280 0.749580 0.258792 S\n0.928956 0.180595 0.528204 S\n0.416409 0.157538 0.316727 S\n0.071044 0.819405 0.471796 S\n0.842462 0.583591 0.183273 S\n0.819405 0.071044 0.971796 S\n0.749580 0.495280 0.758792 S\n0.157538 0.416409 0.816727 S\n0.504720 0.250420 0.741208 S\n0.368990 0.803800 0.326710 O\n0.643631 0.907482 0.063541 O\n0.092518 0.356369 0.436459 O\n0.028416 0.472878 0.822185 O\n0.638779 0.571199 0.868950 O\n0.196200 0.631010 0.173290 O\n0.580288 0.375214 0.976825 O\n0.971584 0.527122 0.177815 O\n0.177391 0.497177 0.723272 O\n0.748692 0.955857 0.645487 O\n0.356369 0.092518 0.936459 O\n0.907482 0.643631 0.563541 O\n0.691943 0.434820 0.217674 O\n0.301477 0.868307 0.934489 O\n0.624786 0.419712 0.523175 O\n0.845247 0.158102 0.583543 O\n0.720010 0.516191 0.601916 O\n0.497177 0.177391 0.223272 O\n0.131693 0.698523 0.565511 O\n0.829728 0.518343 0.763854 O\n0.631010 0.196200 0.673290 O\n0.698523 0.131693 0.065511 O\n0.982693 0.174924 0.653191 O\n0.361221 0.428801 0.131050 O\n0.518343 0.829728 0.263854 O\n0.170272 0.481657 0.236146 O\n0.717007 0.907823 0.311597 O\n0.972962 0.906946 0.585091 O\n0.027038 0.093054 0.414909 O\n0.921414 0.219236 0.097851 O\n0.822609 0.502823 0.276728 O\n0.190639 0.382904 0.975380 O\n0.419712 0.624786 0.023175 O\n0.483809 0.279990 0.898084 O\n0.841898 0.154753 0.916457 O\n0.481657 0.170272 0.736146 O\n0.617096 0.809361 0.524620 O\n0.472878 0.028416 0.322185 O\n0.308057 0.565180 0.782326 O\n0.017307 0.825076 0.346809 O\n0.809361 0.617096 0.024620 O\n0.251308 0.044143 0.354513 O\n0.158102 0.845247 0.083543 O\n0.780764 0.078586 0.402149 O\n0.571199 0.638779 0.368950 O\n0.219236 0.921414 0.597851 O\n0.434820 0.691943 0.717674 O\n0.906946 0.972962 0.085091 O\n0.382904 0.190639 0.475380 O\n0.527122 0.971584 0.677815 O\n0.428801 0.361221 0.631050 O\n0.044143 0.251308 0.854513 O\n0.307173 0.226446 0.232656 O\n0.955857 0.748692 0.145487 O\n0.174924 0.982693 0.153191 O\n0.825076 0.017307 0.846809 O\n0.375214 0.580288 0.476825 O\n0.282993 0.092177 0.688403 O\n0.803800 0.368990 0.826710 O\n0.565180 0.308057 0.282326 O\n0.093054 0.027038 0.914909 O\n0.078586 0.780764 0.902149 O\n0.692827 0.773554 0.767344 O\n0.773554 0.692827 0.267344 O\n0.502823 0.822609 0.776728 O\n0.907823 0.717007 0.811597 O\n0.516191 0.720010 0.101916 O\n0.279990 0.483809 0.398084 O\n0.868307 0.301477 0.434489 O\n0.154753 0.841898 0.416457 O\n0.226446 0.307173 0.732656 O\n0.092177 0.282993 0.188403 O\n",
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"formula_full": "Mo12 S12 O72",
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{
"id": "mp-1097213",
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"structure_string": "Ta1 Tc2 Ge1\n1.0\n-4.629463 5.428267 7.672457\n4.629463 -5.428267 7.672457\n4.629463 5.428267 -7.672457\nTa Tc Ge\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Ta\n0.000000 0.258692 0.258692 Tc\n0.000000 0.741308 0.741308 Tc\n0.000000 0.000000 0.000000 Ge\n",
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{
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"formula_full": "Na2 Zn8 H36 S2 Cl2 O32",
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"updated_at": "2021-11-28T01:39:08.768000Z",
"spacegroup": 147
},
{
"id": "mp-560929",
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"structure_string": "Na6 Cr2 F12\n1.0\n5.806226 0.000000 0.000000\n0.000000 5.570488 0.000000\n0.000000 5.516626 8.057211\nNa Cr F\n6 2 12\ndirect\n0.557337 0.727095 0.255619 Na\n0.057337 0.272905 0.244381 Na\n0.442663 0.272905 0.744381 Na\n0.942663 0.727095 0.755619 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.222353 0.758736 0.572936 F\n0.722353 0.241264 0.927064 F\n0.777647 0.241264 0.427064 F\n0.277647 0.758736 0.072936 F\n0.321356 0.337777 0.447393 F\n0.821356 0.662223 0.052607 F\n0.678644 0.662223 0.552607 F\n0.178644 0.337777 0.947393 F\n0.057396 0.107032 0.774580 F\n0.557396 0.892968 0.725420 F\n0.942604 0.892968 0.225420 F\n0.442604 0.107032 0.274580 F\n",
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{
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"structure_string": "Bi1 O2\n1.0\n0.000000 2.755697 2.755697\n2.755697 0.000000 2.755697\n2.755697 2.755697 0.000000\nBi O\n1 2\ndirect\n0.000000 0.000000 0.000000 Bi\n0.750000 0.750000 0.750000 O\n0.250000 0.250000 0.250000 O\n",
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{
"id": "mp-1120777",
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"structure_string": "Na1 Ti1 F3\n1.0\n4.158119 0.000000 0.000000\n0.000000 4.158119 0.000000\n0.000000 0.000000 4.158119\nNa Ti F\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 F\n0.500000 0.000000 0.000000 F\n0.000000 0.000000 0.500000 F\n",
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"density": 2.953016064060077,
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{
"id": "mp-1222102",
"created_at": "2022-09-04T14:48:19.575508Z",
"structure_string": "Mn12 Si1 P3\n1.0\n4.482619 0.000000 0.000000\n2.218404 6.318606 0.000000\n2.208939 0.013190 6.380597\nMn Si P\n12 1 3\ndirect\n0.640718 0.382480 0.323172 Mn\n0.333261 0.617044 0.674672 Mn\n0.044075 0.321961 0.619280 Mn\n0.979336 0.680605 0.388235 Mn\n0.589720 0.391836 0.948623 Mn\n0.923479 0.612456 0.049169 Mn\n0.462624 0.952376 0.608062 Mn\n0.018585 0.043873 0.395340 Mn\n0.142526 0.185413 0.972501 Mn\n0.306717 0.810884 0.024435 Mn\n0.879147 0.977659 0.815493 Mn\n0.676165 0.024699 0.180968 Mn\n0.202716 0.335024 0.251611 Si\n0.783993 0.662342 0.748118 P\n0.549896 0.252449 0.663443 P\n0.467044 0.748899 0.336878 P\n",
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]
}