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{
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{
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{
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"structure_string": "Lu4 P12 O36\n1.0\n9.709853 0.000000 0.000000\n0.000000 6.981707 0.000000\n0.000000 0.334145 10.909197\nLu P O\n4 12 36\ndirect\n0.250000 0.810145 0.018986 Lu\n0.250000 0.673048 0.537336 Lu\n0.750000 0.326952 0.462664 Lu\n0.750000 0.189855 0.981014 Lu\n0.464033 0.825165 0.284162 P\n0.035967 0.825165 0.284162 P\n0.750000 0.814560 0.374922 P\n0.487817 0.765739 0.767843 P\n0.012183 0.765739 0.767843 P\n0.750000 0.677911 0.898122 P\n0.250000 0.322089 0.101878 P\n0.987817 0.234261 0.232157 P\n0.512183 0.234261 0.232157 P\n0.250000 0.185440 0.625078 P\n0.964033 0.174835 0.715838 P\n0.535967 0.174835 0.715838 P\n0.250000 0.987761 0.574583 O\n0.948416 0.948624 0.693839 O\n0.551584 0.948624 0.693839 O\n0.750000 0.876865 0.946467 O\n0.087433 0.826976 0.880323 O\n0.412567 0.826976 0.880323 O\n0.872805 0.794531 0.276685 O\n0.627195 0.794531 0.276685 O\n0.092406 0.779394 0.161005 O\n0.407594 0.779394 0.161005 O\n0.405710 0.726333 0.396404 O\n0.094290 0.726333 0.396404 O\n0.875909 0.649382 0.803826 O\n0.624091 0.649382 0.803826 O\n0.411093 0.648923 0.677391 O\n0.088907 0.648923 0.677391 O\n0.750000 0.643884 0.462296 O\n0.750000 0.507458 0.985044 O\n0.250000 0.492542 0.014956 O\n0.250000 0.356116 0.537704 O\n0.911093 0.351077 0.322609 O\n0.588907 0.351077 0.322609 O\n0.375909 0.350618 0.196174 O\n0.124091 0.350618 0.196174 O\n0.905710 0.273667 0.603596 O\n0.594290 0.273667 0.603596 O\n0.907594 0.220606 0.838995 O\n0.592406 0.220606 0.838995 O\n0.372805 0.205469 0.723315 O\n0.127195 0.205469 0.723315 O\n0.912567 0.173024 0.119677 O\n0.587433 0.173024 0.119677 O\n0.250000 0.123135 0.053533 O\n0.448416 0.051376 0.306161 O\n0.051584 0.051376 0.306161 O\n0.750000 0.012239 0.425417 O\n",
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{
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"structure_string": "Ca6 Al4 H12 S2 O16 F16\n1.0\n4.351522 7.052728 0.000000\n-4.351522 7.052728 0.000000\n0.000000 0.613823 10.086553\nCa Al H S O F\n6 4 12 2 16 16\ndirect\n0.029827 0.970173 0.750000 Ca\n0.970173 0.029827 0.250000 Ca\n0.971998 0.534192 0.693096 Ca\n0.465808 0.028002 0.806904 Ca\n0.028002 0.465808 0.306904 Ca\n0.534192 0.971998 0.193096 Ca\n0.302681 0.100728 0.487022 Al\n0.899272 0.697319 0.012978 Al\n0.100728 0.302681 0.987022 Al\n0.697319 0.899272 0.512978 Al\n0.768491 0.492341 0.925961 H\n0.507659 0.231509 0.574039 H\n0.231509 0.507659 0.074039 H\n0.492341 0.768491 0.425961 H\n0.314551 0.578286 0.631462 H\n0.421714 0.685449 0.868538 H\n0.685449 0.421714 0.368538 H\n0.578286 0.314551 0.131462 H\n0.177032 0.696523 0.523113 H\n0.303477 0.822968 0.976887 H\n0.822968 0.303477 0.476887 H\n0.696523 0.177032 0.023113 H\n0.344931 0.655069 0.250000 S\n0.655069 0.344931 0.750000 S\n0.882010 0.502121 0.936188 O\n0.497879 0.117990 0.563812 O\n0.117990 0.497879 0.063812 O\n0.502121 0.882010 0.436188 O\n0.186048 0.667961 0.618759 O\n0.332039 0.813952 0.881241 O\n0.813952 0.332039 0.381241 O\n0.667961 0.186048 0.118759 O\n0.594762 0.479260 0.855708 O\n0.319304 0.834636 0.189680 O\n0.405238 0.520740 0.144292 O\n0.479260 0.594762 0.355708 O\n0.834636 0.319304 0.689680 O\n0.680696 0.165364 0.810320 O\n0.165364 0.680696 0.310320 O\n0.520740 0.405238 0.644292 O\n0.021855 0.258240 0.152030 F\n0.677112 0.795008 0.678561 F\n0.795008 0.677112 0.178561 F\n0.322888 0.204992 0.321439 F\n0.135998 0.333728 0.523622 F\n0.666272 0.864002 0.976378 F\n0.864002 0.666272 0.476378 F\n0.333728 0.135998 0.023622 F\n0.044461 0.137043 0.922432 F\n0.862957 0.955539 0.577568 F\n0.955539 0.862957 0.077568 F\n0.137043 0.044461 0.422432 F\n0.978145 0.741760 0.847970 F\n0.258240 0.021855 0.652030 F\n0.741760 0.978145 0.347970 F\n0.204992 0.322888 0.821439 F\n",
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{
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{
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"structure_string": "Na3 Nd3 H6 S6 O27\n1.0\n3.532106 -6.117787 0.000000\n3.532106 6.117787 0.000000\n0.000000 0.000000 12.977563\nNa Nd H S O\n3 3 6 6 27\ndirect\n0.526907 0.526907 0.500000 Na\n0.473093 0.000000 0.833333 Na\n0.000000 0.473093 0.166667 Na\n0.438384 0.000000 0.333333 Nd\n0.000000 0.438384 0.666667 Nd\n0.561616 0.561616 0.000000 Nd\n0.051507 0.095779 0.373244 H\n0.095779 0.051507 0.626756 H\n0.955728 0.904221 0.293423 H\n0.948493 0.044272 0.960089 H\n0.904221 0.955728 0.706577 H\n0.044272 0.948493 0.039911 H\n0.453694 0.011049 0.089903 S\n0.557355 0.546306 0.756569 S\n0.988951 0.442645 0.423236 S\n0.011049 0.453694 0.910097 S\n0.442645 0.988951 0.576764 S\n0.546306 0.557355 0.243431 S\n0.488819 0.358558 0.828791 O\n0.000000 0.086380 0.666667 O\n0.612354 0.740193 0.823669 O\n0.913620 0.913620 0.000000 O\n0.086380 0.000000 0.333333 O\n0.127839 0.387646 0.490336 O\n0.410102 0.164182 0.029465 O\n0.381922 0.506943 0.682319 O\n0.506943 0.381922 0.317681 O\n0.869740 0.511181 0.495458 O\n0.358558 0.488819 0.171209 O\n0.589898 0.754080 0.303869 O\n0.740193 0.612354 0.176331 O\n0.754080 0.589898 0.696131 O\n0.493057 0.874979 0.015652 O\n0.835818 0.245920 0.362798 O\n0.511181 0.869740 0.504542 O\n0.618078 0.125021 0.651015 O\n0.125021 0.618078 0.348985 O\n0.641442 0.130260 0.162125 O\n0.130260 0.641442 0.837875 O\n0.245920 0.835818 0.637202 O\n0.164182 0.410102 0.970535 O\n0.872161 0.259807 0.842998 O\n0.387646 0.127839 0.509664 O\n0.874979 0.493057 0.984348 O\n0.259807 0.872161 0.157002 O\n",
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"formula_full": "Na3 Nd3 H6 S6 O27",
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"updated_at": "2021-11-28T01:38:14.391000Z",
"spacegroup": 152
},
{
"id": "mp-1195192",
"created_at": "2022-09-04T14:40:13.088768Z",
"structure_string": "Na3 Tb3 H6 S6 O27\n1.0\n6.980523 0.000000 0.000000\n-3.490261 6.045310 0.000000\n0.000000 0.000000 12.797699\nNa Tb H S O\n3 3 6 6 27\ndirect\n0.472299 0.000000 0.833333 Na\n0.527701 0.527701 0.500000 Na\n0.000000 0.472299 0.166667 Na\n0.000000 0.441277 0.666667 Tb\n0.441277 0.000000 0.333333 Tb\n0.558723 0.558723 0.000000 Tb\n0.894367 0.963934 0.702776 H\n0.069568 0.105633 0.369443 H\n0.036066 0.930432 0.036110 H\n0.105633 0.069568 0.630557 H\n0.963934 0.894367 0.297224 H\n0.930432 0.036066 0.963890 H\n0.986148 0.443957 0.426341 S\n0.457809 0.013852 0.093008 S\n0.556043 0.542191 0.759675 S\n0.013852 0.457809 0.906992 S\n0.443957 0.986148 0.573659 S\n0.542191 0.556043 0.240325 S\n0.124643 0.386017 0.494611 O\n0.261373 0.875357 0.161278 O\n0.613983 0.738627 0.827944 O\n0.875357 0.261373 0.838722 O\n0.386017 0.124643 0.505389 O\n0.738627 0.613983 0.172056 O\n0.867698 0.513678 0.500954 O\n0.645981 0.132302 0.167620 O\n0.486322 0.354019 0.834287 O\n0.132302 0.645981 0.832380 O\n0.513678 0.867698 0.499046 O\n0.354019 0.486322 0.165713 O\n0.000000 0.098833 0.666667 O\n0.098833 0.000000 0.333333 O\n0.901167 0.901167 0.000000 O\n0.125223 0.621002 0.351423 O\n0.495778 0.874777 0.018090 O\n0.378998 0.504222 0.684756 O\n0.874777 0.495778 0.981910 O\n0.621002 0.125223 0.648577 O\n0.504222 0.378998 0.315244 O\n0.829145 0.246712 0.364826 O\n0.417566 0.170855 0.031492 O\n0.753288 0.582434 0.698159 O\n0.170855 0.417566 0.968508 O\n0.246712 0.829145 0.635174 O\n0.582434 0.753288 0.301841 O\n",
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"volume_molar": 7.227312251400948,
"formula_full": "Na3 Tb3 H6 S6 O27",
"formula_reduced": "NaTbH2S2O9",
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"updated_at": "2021-11-28T01:34:53.798000Z",
"spacegroup": 152
}
]
}