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{
"id": "mp-1028093",
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"structure_string": "Y1 Mg14 Zn1\n1.0\n6.432735 0.037063 0.000000\n-3.184270 5.515318 0.000000\n0.000000 0.000000 10.339543\nY Mg Zn\n1 14 1\ndirect\n0.158059 0.329029 0.125000 Y\n0.168042 0.334020 0.625000 Mg\n0.164015 0.832007 0.625000 Mg\n0.651966 0.315732 0.125000 Mg\n0.666007 0.336489 0.625000 Mg\n0.651966 0.836234 0.125000 Mg\n0.666007 0.829517 0.625000 Mg\n0.333931 0.163832 0.377081 Mg\n0.333931 0.163832 0.872919 Mg\n0.333931 0.670100 0.377081 Mg\n0.333931 0.670100 0.872919 Mg\n0.832513 0.166257 0.382227 Mg\n0.832513 0.166257 0.867773 Mg\n0.839832 0.669917 0.362942 Mg\n0.839832 0.669917 0.887058 Mg\n0.193523 0.846761 0.125000 Zn\n",
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{
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"structure_string": "Mn4 Hg2 C20 O20\n1.0\n6.407499 0.000000 0.000000\n0.000000 6.607721 0.000000\n0.000000 1.871996 19.132963\nMn Hg C O\n4 2 20 20\ndirect\n0.151601 0.187916 0.878933 Mn\n0.651601 0.812084 0.621067 Mn\n0.848399 0.812084 0.121067 Mn\n0.348399 0.187916 0.378933 Mn\n0.000000 0.000000 0.000000 Hg\n0.500000 0.000000 0.500000 Hg\n0.256383 0.316772 0.798726 C\n0.756383 0.683228 0.701274 C\n0.743617 0.683228 0.201274 C\n0.243617 0.316772 0.298726 C\n0.374509 0.240418 0.935474 C\n0.874509 0.759582 0.564526 C\n0.625491 0.759582 0.064526 C\n0.125491 0.240418 0.435474 C\n0.269256 0.937036 0.867198 C\n0.769256 0.062964 0.632802 C\n0.730744 0.062964 0.132802 C\n0.230744 0.937036 0.367198 C\n0.905717 0.106143 0.839689 C\n0.405717 0.893857 0.660311 C\n0.094283 0.893857 0.160311 C\n0.594283 0.106143 0.339689 C\n0.011514 0.413192 0.905394 C\n0.511514 0.586808 0.594606 C\n0.988486 0.586808 0.094606 C\n0.488486 0.413192 0.405394 C\n0.323190 0.400022 0.747623 O\n0.823190 0.599978 0.752377 O\n0.676810 0.599978 0.252377 O\n0.176810 0.400022 0.247623 O\n0.516293 0.271204 0.970675 O\n0.016293 0.728796 0.529325 O\n0.483707 0.728796 0.029325 O\n0.983707 0.271204 0.470675 O\n0.344665 0.781614 0.859017 O\n0.844665 0.218386 0.640983 O\n0.655335 0.218386 0.140983 O\n0.155335 0.781614 0.359017 O\n0.751734 0.056613 0.814474 O\n0.251734 0.943387 0.685526 O\n0.248266 0.943387 0.185526 O\n0.748266 0.056613 0.314474 O\n0.922054 0.554755 0.920850 O\n0.422054 0.445245 0.579150 O\n0.077946 0.445245 0.079150 O\n0.577946 0.554755 0.420850 O\n",
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"volume": 810.0698641921406,
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"formula_full": "Mn4 Hg2 C20 O20",
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{
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"created_at": "2022-09-04T14:47:07.140442Z",
"structure_string": "La2 Cu2 Si2\n1.0\n2.128975 -3.687493 0.000000\n2.128975 3.687493 0.000000\n0.000000 0.000000 8.197377\nLa Cu Si\n2 2 2\ndirect\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.333333 0.666667 0.750000 Cu\n0.666667 0.333333 0.250000 Cu\n0.666667 0.333333 0.750000 Si\n0.333333 0.666667 0.250000 Si\n",
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{
"id": "mp-754952",
"created_at": "2022-09-04T14:47:07.140872Z",
"structure_string": "Li4 Cr2 Fe2 O8\n1.0\n2.926306 5.097055 0.000000\n-2.926306 5.097055 0.000000\n0.000000 1.661167 4.779748\nLi Cr Fe O\n4 2 2 8\ndirect\n0.125804 0.375991 0.745368 Li\n0.624009 0.874196 0.754632 Li\n0.375991 0.125804 0.245368 Li\n0.874196 0.624009 0.254632 Li\n0.126960 0.873040 0.750000 Cr\n0.873040 0.126960 0.250000 Cr\n0.623898 0.376102 0.750000 Fe\n0.376102 0.623898 0.250000 Fe\n0.490071 0.731996 0.506320 O\n0.983993 0.240852 0.511578 O\n0.240852 0.983993 0.011578 O\n0.509929 0.268004 0.493680 O\n0.016007 0.759148 0.488422 O\n0.268004 0.509929 0.993680 O\n0.731996 0.490071 0.006320 O\n0.759148 0.016007 0.988422 O\n",
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"spacegroup": 15
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{
"id": "mp-1225859",
"created_at": "2022-09-04T14:47:07.142416Z",
"structure_string": "Cs2 Ti4 O6 F6\n1.0\n0.000000 5.157084 5.379694\n5.073206 0.000000 5.379694\n5.073206 5.157084 0.000000\nCs Ti O F\n2 4 6 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.250000 0.250000 0.250000 Cs\n0.386257 0.877740 0.855120 Ti\n0.877740 0.386257 0.880883 Ti\n0.855120 0.880883 0.386257 Ti\n0.880883 0.855120 0.877740 Ti\n0.927141 0.927141 0.572859 O\n0.572859 0.572859 0.927141 O\n0.938970 0.561030 0.938970 O\n0.561030 0.938970 0.561030 O\n0.829613 0.829613 0.170387 O\n0.170387 0.170387 0.829613 O\n0.551550 0.948450 0.948450 F\n0.948450 0.551550 0.551550 F\n0.806090 0.193910 0.806090 F\n0.193910 0.806090 0.193910 F\n0.200016 0.799984 0.799984 F\n0.799984 0.200016 0.200016 F\n",
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"formula_full": "Cs2 Ti4 O6 F6",
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{
"id": "mp-554659",
"created_at": "2022-09-04T14:47:07.144898Z",
"structure_string": "H24 C10 N4 O2\n1.0\n5.572731 0.000000 0.000000\n0.000000 7.131066 0.000000\n0.000000 0.000000 8.832613\nH C N O\n24 10 4 2\ndirect\n0.772540 0.330863 0.957475 H\n0.211985 0.167940 0.662009 H\n0.772540 0.669137 0.957475 H\n0.479177 0.500000 0.827777 H\n0.211985 0.832060 0.662009 H\n0.475187 0.500000 0.303484 H\n0.246082 0.373258 0.202858 H\n0.246082 0.626742 0.202858 H\n0.520823 0.000000 0.327777 H\n0.754109 0.873995 0.426293 H\n0.524813 0.000000 0.803484 H\n0.754109 0.126005 0.426293 H\n0.553218 0.204969 0.068427 H\n0.788015 0.667940 0.162009 H\n0.788015 0.332060 0.162009 H\n0.245891 0.373995 0.926293 H\n0.753918 0.126742 0.702858 H\n0.753918 0.873258 0.702858 H\n0.553218 0.795031 0.068427 H\n0.446782 0.295031 0.568427 H\n0.227460 0.830863 0.457475 H\n0.245891 0.626005 0.926293 H\n0.227460 0.169137 0.457475 H\n0.446782 0.704969 0.568427 H\n0.330579 0.828700 0.563178 C\n0.669421 0.671300 0.063178 C\n0.869431 0.500000 0.571177 C\n0.641844 0.000000 0.425819 C\n0.130569 0.000000 0.071177 C\n0.358156 0.500000 0.925819 C\n0.330579 0.171300 0.563178 C\n0.669421 0.328700 0.063178 C\n0.642457 0.000000 0.704025 C\n0.357543 0.500000 0.204025 C\n0.487255 0.000000 0.565137 N\n0.133304 0.000000 0.207209 N\n0.866696 0.500000 0.707209 N\n0.512745 0.500000 0.065137 N\n0.129767 0.000000 0.931691 O\n0.870233 0.500000 0.431691 O\n",
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{
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"structure_string": "Er2 Se4\n1.0\n4.048683 0.000000 0.000000\n0.000000 4.048683 0.000000\n0.000000 0.000000 8.282225\nEr Se\n2 4\ndirect\n0.000000 0.500000 0.726076 Er\n0.500000 0.000000 0.273924 Er\n0.500000 0.500000 0.000000 Se\n0.000000 0.000000 0.000000 Se\n0.500000 0.000000 0.629569 Se\n0.000000 0.500000 0.370431 Se\n",
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{
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"structure_string": "Cr4 Si2 C2\n1.0\n1.437184 -2.489275 0.000000\n1.437184 2.489275 0.000000\n0.000000 0.000000 11.913891\nCr Si C\n4 2 2\ndirect\n0.333333 0.666667 0.410380 Cr\n0.666667 0.333333 0.589620 Cr\n0.666667 0.333333 0.910380 Cr\n0.333333 0.666667 0.089620 Cr\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
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{
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{
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"structure_string": "K4 U4 O14\n1.0\n8.062797 0.000000 0.000000\n0.000000 6.987561 0.000000\n0.000000 2.361632 6.786131\nK U O\n4 4 14\ndirect\n0.257493 0.020443 0.493960 K\n0.757493 0.979557 0.506040 K\n0.500487 0.486380 0.503440 K\n0.000487 0.513620 0.496560 K\n0.259289 0.530831 0.994874 U\n0.759289 0.469169 0.005126 U\n0.501176 0.979458 0.003978 U\n0.001176 0.020542 0.996022 U\n0.399401 0.267706 0.998529 O\n0.899401 0.732294 0.001471 O\n0.499636 0.887411 0.282592 O\n0.999636 0.112589 0.717408 O\n0.246280 0.438302 0.272213 O\n0.746280 0.561698 0.727787 O\n0.757775 0.377236 0.282357 O\n0.257775 0.622764 0.717643 O\n0.744802 0.134939 0.012813 O\n0.244802 0.865061 0.987187 O\n0.023804 0.348976 0.988318 O\n0.523804 0.651024 0.011682 O\n0.513559 0.071785 0.725452 O\n0.013559 0.928215 0.274548 O\n",
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{
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}