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{
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{
"id": "mp-1105543",
"created_at": "2022-09-04T14:45:56.079247Z",
"structure_string": "Tb10 Pt6\n1.0\n4.225890 -7.319456 0.000000\n4.225890 7.319456 0.000000\n0.000000 0.000000 6.293471\nTb Pt\n10 6\ndirect\n0.666667 0.333333 0.000000 Tb\n0.333333 0.666667 0.000000 Tb\n0.333333 0.666667 0.500000 Tb\n0.666667 0.333333 0.500000 Tb\n0.752979 0.752979 0.750000 Tb\n0.247021 0.000000 0.750000 Tb\n0.000000 0.247021 0.750000 Tb\n0.247021 0.247021 0.250000 Tb\n0.752979 0.000000 0.250000 Tb\n0.000000 0.752979 0.250000 Tb\n0.393949 0.393949 0.750000 Pt\n0.606051 0.000000 0.750000 Pt\n0.000000 0.606051 0.750000 Pt\n0.606051 0.606051 0.250000 Pt\n0.393949 0.000000 0.250000 Pt\n0.000000 0.393949 0.250000 Pt\n",
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"spacegroup": 193
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{
"id": "mp-1384267",
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"structure_string": "Al2 Sb2 O6\n1.0\n1.758222 -3.045330 0.000000\n1.758222 3.045330 0.000000\n0.000000 0.000000 12.703106\nAl Sb O\n2 2 6\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.666667 0.333333 0.750000 Sb\n0.333333 0.666667 0.250000 Sb\n0.333333 0.666667 0.434622 O\n0.666667 0.333333 0.934622 O\n0.666667 0.333333 0.565378 O\n0.333333 0.666667 0.065378 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n",
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"formula_full": "Al2 Sb2 O6",
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"updated_at": "2021-11-28T01:37:10.237000Z",
"spacegroup": 194
},
{
"id": "mp-1114027",
"created_at": "2022-09-04T14:45:56.081103Z",
"structure_string": "Rb2 Li1 Tl1 Br6\n1.0\n0.000000 5.540998 5.540998\n5.540998 0.000000 5.540998\n5.540998 5.540998 0.000000\nRb Li Tl Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Tl\n0.748462 0.251538 0.251538 Br\n0.251538 0.251538 0.748462 Br\n0.251538 0.748462 0.748462 Br\n0.251538 0.748462 0.251538 Br\n0.748462 0.251538 0.748462 Br\n0.748462 0.748462 0.251538 Br\n",
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"formula_full": "Rb2 Li1 Tl1 Br6",
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"formula_anonymous": "ABC2D6",
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},
{
"id": "mp-1020860",
"created_at": "2022-09-04T14:45:57.891305Z",
"structure_string": "Rb16 Mg8 Si40 O96\n1.0\n13.647153 0.000000 0.000000\n0.000000 13.724873 0.000000\n0.000000 0.000000 13.928722\nRb Mg Si O\n16 8 40 96\ndirect\n0.346732 0.638529 0.144325 Rb\n0.653268 0.138529 0.355675 Rb\n0.153268 0.361471 0.644325 Rb\n0.846732 0.861471 0.855675 Rb\n0.653268 0.361471 0.855675 Rb\n0.346732 0.861471 0.644325 Rb\n0.846732 0.638529 0.355675 Rb\n0.153268 0.138529 0.144325 Rb\n0.107949 0.896393 0.409766 Rb\n0.892051 0.396393 0.090234 Rb\n0.392051 0.103607 0.909766 Rb\n0.607949 0.603607 0.590234 Rb\n0.892051 0.103607 0.590234 Rb\n0.107949 0.603607 0.909766 Rb\n0.607949 0.896393 0.090234 Rb\n0.392051 0.396393 0.409766 Rb\n0.560253 0.874052 0.834285 Mg\n0.439747 0.374052 0.665715 Mg\n0.939747 0.125948 0.334285 Mg\n0.060253 0.625948 0.165715 Mg\n0.439747 0.125948 0.165715 Mg\n0.560253 0.625948 0.334285 Mg\n0.060253 0.874052 0.665715 Mg\n0.939747 0.374052 0.834285 Mg\n0.892888 0.622084 0.662881 Si\n0.107112 0.122084 0.837119 Si\n0.607112 0.377916 0.162881 Si\n0.392888 0.877916 0.337119 Si\n0.107112 0.377916 0.337119 Si\n0.892888 0.877916 0.162881 Si\n0.392888 0.622084 0.837119 Si\n0.607112 0.122084 0.662881 Si\n0.873749 0.096535 0.113406 Si\n0.126251 0.596535 0.386594 Si\n0.626251 0.903465 0.613406 Si\n0.373749 0.403465 0.886594 Si\n0.126251 0.903465 0.886594 Si\n0.873749 0.403465 0.613406 Si\n0.373749 0.096535 0.386594 Si\n0.626251 0.596535 0.113406 Si\n0.396144 0.151506 0.599595 Si\n0.603856 0.651506 0.900405 Si\n0.103856 0.848494 0.099595 Si\n0.896144 0.348494 0.400405 Si\n0.603856 0.848494 0.400405 Si\n0.396144 0.348494 0.099595 Si\n0.896144 0.151506 0.900405 Si\n0.103856 0.651506 0.599595 Si\n0.685110 0.411895 0.367953 Si\n0.314890 0.911895 0.132047 Si\n0.814890 0.588105 0.867953 Si\n0.185110 0.088105 0.632047 Si\n0.314890 0.588105 0.632047 Si\n0.685110 0.088105 0.867953 Si\n0.185110 0.411895 0.132047 Si\n0.814890 0.911895 0.367953 Si\n0.157245 0.324447 0.927479 Si\n0.842755 0.824447 0.572521 Si\n0.342755 0.675553 0.427479 Si\n0.657245 0.175553 0.072521 Si\n0.842755 0.675553 0.072521 Si\n0.157245 0.175553 0.427479 Si\n0.657245 0.324447 0.572521 Si\n0.342755 0.824447 0.927479 Si\n0.345117 0.978848 0.377567 O\n0.654883 0.478848 0.122433 O\n0.154883 0.021152 0.877567 O\n0.845117 0.521152 0.622433 O\n0.654883 0.021152 0.622433 O\n0.345117 0.521152 0.877567 O\n0.845117 0.978848 0.122433 O\n0.154883 0.478848 0.377567 O\n0.074006 0.611958 0.491870 O\n0.925994 0.111958 0.008130 O\n0.425994 0.388042 0.991870 O\n0.574006 0.888042 0.508130 O\n0.925994 0.388042 0.508130 O\n0.074006 0.888042 0.991870 O\n0.574006 0.611958 0.008130 O\n0.425994 0.111958 0.491870 O\n0.012059 0.881698 0.170979 O\n0.987941 0.381698 0.329021 O\n0.487941 0.118302 0.670979 O\n0.512059 0.618302 0.829021 O\n0.987941 0.118302 0.829021 O\n0.012059 0.618302 0.670979 O\n0.512059 0.881698 0.329021 O\n0.487941 0.381698 0.170979 O\n0.873998 0.234637 0.397983 O\n0.126002 0.734637 0.102017 O\n0.626002 0.765363 0.897983 O\n0.373998 0.265363 0.602017 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{
"id": "mp-504830",
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"structure_string": "S16 N20 F4\n1.0\n-6.506882 0.000000 0.000000\n1.458488 10.983015 0.000000\n-0.162467 -4.717613 -10.486204\nS N F\n16 20 4\ndirect\n0.917131 0.233474 0.052850 S\n0.082869 0.766526 0.947150 S\n0.316683 0.171423 0.081110 S\n0.683317 0.828577 0.918890 S\n0.996775 0.164208 0.251294 S\n0.003225 0.835792 0.748706 S\n0.985462 0.439501 0.305244 S\n0.014538 0.560499 0.694756 S\n0.212464 0.134552 0.623057 S\n0.787536 0.865448 0.376943 S\n0.526545 0.224680 0.493205 S\n0.473455 0.775320 0.506795 S\n0.619184 0.180091 0.713207 S\n0.380816 0.819909 0.286793 S\n0.348082 0.370986 0.846670 S\n0.651918 0.629014 0.153330 S\n0.149066 0.201872 0.999586 N\n0.850934 0.798128 0.000414 N\n0.231554 0.141153 0.198230 N\n0.768446 0.858847 0.801770 N\n0.018558 0.331022 0.354833 N\n0.981442 0.668978 0.645167 N\n0.959396 0.398932 0.158685 N\n0.040604 0.601068 0.841315 N\n0.835310 0.149765 0.136887 N\n0.164690 0.850235 0.863113 N\n0.291451 0.164796 0.500150 N\n0.708549 0.835204 0.499850 N\n0.688588 0.218898 0.593905 N\n0.311412 0.781102 0.406095 N\n0.570222 0.329060 0.834467 N\n0.429778 0.670940 0.165533 N\n0.178496 0.289105 0.738813 N\n0.821504 0.710895 0.261187 N\n0.394393 0.085081 0.683204 N\n0.605607 0.914919 0.316796 N\n0.459478 0.328204 0.157023 F\n0.540522 0.671796 0.842977 F\n0.514398 0.391827 0.552555 F\n0.485602 0.608173 0.447445 F\n",
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{
"id": "mp-1179531",
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"structure_string": "Sm2 H24 N6 O30\n1.0\n7.604633 0.000000 0.000000\n-3.683119 9.109375 0.000000\n-1.745921 -3.818108 11.084327\nSm H N O\n2 24 6 30\ndirect\n0.907053 0.622952 0.800937 Sm\n0.092947 0.377048 0.199063 Sm\n0.713874 0.590497 0.001468 H\n0.286126 0.409503 0.998532 H\n0.747576 0.438479 0.980167 H\n0.252424 0.561521 0.019833 H\n0.824503 0.214362 0.524206 H\n0.175497 0.785639 0.475794 H\n0.677688 0.586225 0.574082 H\n0.322312 0.413775 0.425918 H\n0.730725 0.909262 0.770336 H\n0.269275 0.090738 0.229664 H\n0.584429 0.716410 0.841511 H\n0.415571 0.283590 0.158489 H\n0.258467 0.198718 0.032473 H\n0.741533 0.801282 0.967527 H\n0.449999 0.381860 0.585894 H\n0.550001 0.618140 0.414106 H\n0.393500 0.173322 0.894012 H\n0.606500 0.826678 0.105988 H\n0.193696 0.164190 0.825768 H\n0.806304 0.835810 0.174232 H\n0.437955 0.157417 0.345085 H\n0.562045 0.842583 0.654915 H\n0.295925 0.209075 0.505102 H\n0.704075 0.790925 0.494898 H\n0.138069 0.806942 0.667584 N\n0.861931 0.193058 0.332416 N\n0.273601 0.824137 0.012828 N\n0.726399 0.175863 0.987172 N\n0.953841 0.285499 0.698775 N\n0.046159 0.714501 0.301225 N\n0.747458 0.519380 0.944031 O\n0.252542 0.480620 0.055969 O\n0.691163 0.927812 0.695091 O\n0.308837 0.072188 0.304909 O\n0.725973 0.770551 0.877597 O\n0.274027 0.229449 0.122403 O\n0.675393 0.544234 0.642136 O\n0.324607 0.455766 0.357864 O\n0.296812 0.217744 0.901761 O\n0.703188 0.782256 0.098239 O\n0.307911 0.312977 0.543354 O\n0.692089 0.687023 0.456646 O\n0.118477 0.668357 0.648309 O\n0.881523 0.331643 0.351691 O\n0.085548 0.867423 0.756492 O\n0.914452 0.132577 0.243508 O\n0.207955 0.885175 0.601523 O\n0.792045 0.114825 0.398477 O\n0.253914 0.693071 0.939503 O\n0.746086 0.306929 0.060497 O\n0.128081 0.856757 0.998606 O\n0.871919 0.143243 0.001394 O\n0.430307 0.910835 0.092004 O\n0.569693 0.089165 0.907996 O\n0.989302 0.389653 0.796652 O\n0.010698 0.610347 0.203348 O\n0.835186 0.292646 0.606135 O\n0.164814 0.707354 0.393865 O\n0.015359 0.186942 0.684303 O\n0.984641 0.813058 0.315697 O\n",
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"volume": 767.8496136111836,
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"formula_full": "Sm2 H24 N6 O30",
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},
{
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