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{
"id": "mp-1020060",
"created_at": "2022-09-04T14:47:37.229888Z",
"structure_string": "Li8 B8 S32 O112\n1.0\n11.155559 0.000000 0.000000\n0.000000 11.201695 0.000000\n0.000000 0.000000 18.568859\nLi B S O\n8 8 32 112\ndirect\n0.893736 0.137502 0.093810 Li\n0.606264 0.862498 0.593810 Li\n0.393736 0.362498 0.906190 Li\n0.106264 0.637502 0.406190 Li\n0.380236 0.655367 0.153654 Li\n0.119764 0.344633 0.653654 Li\n0.880236 0.844633 0.846346 Li\n0.619764 0.155367 0.346346 Li\n0.094161 0.145764 0.373807 B\n0.405839 0.854236 0.873807 B\n0.594161 0.354236 0.626193 B\n0.905839 0.645764 0.126193 B\n0.361353 0.120637 0.125689 B\n0.138647 0.879363 0.625689 B\n0.861353 0.379363 0.874311 B\n0.638647 0.620637 0.374311 B\n0.158893 0.337202 0.459771 S\n0.341107 0.662798 0.959771 S\n0.658893 0.162798 0.540229 S\n0.841107 0.837202 0.040229 S\n0.315236 0.230246 0.355999 S\n0.184764 0.769754 0.855999 S\n0.815236 0.269754 0.644001 S\n0.684764 0.730246 0.144001 S\n0.909786 0.092301 0.287072 S\n0.590214 0.907699 0.787072 S\n0.409786 0.407699 0.712928 S\n0.090214 0.592301 0.212928 S\n0.984530 0.927943 0.396538 S\n0.515470 0.072057 0.896538 S\n0.484530 0.572057 0.603462 S\n0.015470 0.427943 0.103462 S\n0.278597 0.923995 0.190495 S\n0.221403 0.076005 0.690495 S\n0.778597 0.576005 0.809505 S\n0.721403 0.423995 0.309505 S\n0.167179 0.028892 0.064288 S\n0.332821 0.971108 0.564288 S\n0.667179 0.471108 0.935712 S\n0.832821 0.528892 0.435712 S\n0.593063 0.173531 0.145566 S\n0.906937 0.826469 0.645566 S\n0.093063 0.326469 0.854434 S\n0.406937 0.673531 0.354434 S\n0.413426 0.347912 0.106627 S\n0.086574 0.652088 0.606627 S\n0.913426 0.152088 0.893373 S\n0.586574 0.847912 0.393373 S\n0.151712 0.314540 0.535368 O\n0.348288 0.685460 0.035368 O\n0.651712 0.185460 0.464632 O\n0.848288 0.814540 0.964632 O\n0.144738 0.455703 0.433006 O\n0.355262 0.544297 0.933006 O\n0.644738 0.044297 0.566994 O\n0.855262 0.955703 0.066994 O\n0.430934 0.177738 0.361949 O\n0.069066 0.822262 0.861949 O\n0.930934 0.322262 0.638051 O\n0.569066 0.677738 0.138051 O\n0.288165 0.319543 0.303693 O\n0.211835 0.680457 0.803693 O\n0.788165 0.180457 0.696307 O\n0.711835 0.819543 0.196307 O\n0.813123 0.135088 0.331188 O\n0.686877 0.864912 0.831188 O\n0.313123 0.364912 0.668812 O\n0.186877 0.635088 0.168812 O\n0.897610 0.085245 0.210991 O\n0.602390 0.914755 0.710991 O\n0.397610 0.414755 0.789009 O\n0.102390 0.585245 0.289009 O\n0.880001 0.917063 0.439788 O\n0.619999 0.082937 0.939788 O\n0.380001 0.582937 0.560212 O\n0.119999 0.417063 0.060212 O\n0.067252 0.831117 0.388784 O\n0.432748 0.168883 0.888784 O\n0.567252 0.668883 0.611216 O\n0.932748 0.331117 0.111216 O\n0.215096 0.900730 0.255214 O\n0.284904 0.099270 0.755214 O\n0.715096 0.599270 0.744786 O\n0.784904 0.400730 0.244786 O\n0.372629 0.846261 0.166185 O\n0.127371 0.153739 0.666184 O\n0.872629 0.653739 0.833816 O\n0.627371 0.346261 0.333815 O\n0.141703 0.968130 0.998948 O\n0.358297 0.031870 0.498948 O\n0.641703 0.531870 0.001052 O\n0.858297 0.468130 0.501052 O\n0.087141 0.117058 0.093036 O\n0.412859 0.882942 0.593036 O\n0.587141 0.382942 0.906964 O\n0.912859 0.617058 0.406964 O\n0.697910 0.164418 0.102020 O\n0.802090 0.835582 0.602020 O\n0.197910 0.335582 0.897980 O\n0.302090 0.664418 0.397980 O\n0.597072 0.150115 0.221167 O\n0.902928 0.849885 0.721167 O\n0.097072 0.349885 0.778833 O\n0.402928 0.650115 0.278833 O\n0.388366 0.458103 0.141581 O\n0.111634 0.541897 0.641581 O\n0.888366 0.041897 0.858419 O\n0.611634 0.958103 0.358419 O\n0.414917 0.337656 0.029870 O\n0.085083 0.662344 0.529870 O\n0.914917 0.162344 0.970130 O\n0.585083 0.837656 0.470130 O\n0.073822 0.254686 0.417174 O\n0.426178 0.745314 0.917174 O\n0.573822 0.245314 0.582826 O\n0.926178 0.754686 0.082826 O\n0.221945 0.127976 0.357041 O\n0.278055 0.872024 0.857041 O\n0.721945 0.372024 0.642959 O\n0.778055 0.627976 0.142959 O\n0.027855 0.158133 0.304985 O\n0.472145 0.841867 0.804985 O\n0.527855 0.341867 0.695015 O\n0.972145 0.658133 0.195015 O\n0.050771 0.044366 0.416975 O\n0.449229 0.955634 0.916975 O\n0.550771 0.455634 0.583025 O\n0.949229 0.544366 0.083025 O\n0.320995 0.056248 0.190790 O\n0.179005 0.943752 0.690790 O\n0.820995 0.443752 0.809210 O\n0.679005 0.556248 0.309210 O\n0.297986 0.076355 0.061295 O\n0.202014 0.923645 0.561295 O\n0.797986 0.423645 0.938705 O\n0.702014 0.576355 0.438705 O\n0.490441 0.103174 0.108494 O\n0.009559 0.896826 0.608494 O\n0.990441 0.396826 0.891506 O\n0.509559 0.603174 0.391506 O\n0.336725 0.248049 0.141446 O\n0.163275 0.751951 0.641446 O\n0.836725 0.251951 0.858554 O\n0.663275 0.748049 0.358554 O\n0.292274 0.288094 0.437693 O\n0.207726 0.711906 0.937693 O\n0.792274 0.211906 0.562307 O\n0.707726 0.788094 0.062307 O\n0.942970 0.955923 0.311654 O\n0.557030 0.044077 0.811654 O\n0.442970 0.544077 0.688346 O\n0.057030 0.455923 0.188346 O\n0.177192 0.923316 0.125863 O\n0.322808 0.076684 0.625863 O\n0.677192 0.576684 0.874137 O\n0.822808 0.423316 0.374137 O\n0.548066 0.313241 0.136918 O\n0.951934 0.686759 0.636918 O\n0.048066 0.186759 0.863082 O\n0.451934 0.813241 0.363082 O\n",
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"elements": [
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"volume": 2320.38633641005,
"volume_molar": 8.733558209651271,
"formula_full": "Li8 B8 S32 O112",
"formula_reduced": "LiB(S2O7)2",
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"updated_at": "2021-11-28T01:38:16.393000Z",
"spacegroup": 19
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{
"id": "mp-753042",
"created_at": "2022-09-04T14:47:36.525705Z",
"structure_string": "Fe8 O2 F14\n1.0\n3.418120 -3.450404 0.000000\n3.418120 3.450404 0.000000\n0.000000 0.000000 12.711440\nFe O F\n8 2 14\ndirect\n0.979861 0.979861 0.750000 Fe\n0.000000 0.000000 0.000000 Fe\n0.020139 0.020139 0.250000 Fe\n0.000000 0.000000 0.500000 Fe\n0.508589 0.508589 0.865225 Fe\n0.491411 0.491411 0.365225 Fe\n0.508589 0.508589 0.634775 Fe\n0.491411 0.491411 0.134775 Fe\n0.305658 0.305658 0.250000 O\n0.694342 0.694342 0.750000 O\n0.792400 0.205556 0.877757 F\n0.794444 0.207600 0.122243 F\n0.794444 0.207600 0.377757 F\n0.792400 0.205556 0.622243 F\n0.284693 0.284693 0.750000 F\n0.307166 0.307166 0.998258 F\n0.307166 0.307166 0.501742 F\n0.692834 0.692834 0.001742 F\n0.715307 0.715307 0.250000 F\n0.692834 0.692834 0.498258 F\n0.205556 0.792400 0.877757 F\n0.207600 0.794444 0.122243 F\n0.207600 0.794444 0.377757 F\n0.205556 0.792400 0.622243 F\n",
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"volume": 299.8347752959726,
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"formula_full": "Fe8 O2 F14",
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{
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"created_at": "2022-09-04T14:47:36.631211Z",
"structure_string": "Ca4 U4 P8 O32\n1.0\n6.201497 0.000000 0.000000\n0.000000 7.028218 0.000000\n0.000000 0.000000 14.080950\nCa U P O\n4 4 8 32\ndirect\n0.893946 0.750000 0.619812 Ca\n0.393946 0.250000 0.880188 Ca\n0.106054 0.250000 0.380188 Ca\n0.606054 0.750000 0.119812 Ca\n0.129537 0.750000 0.872061 U\n0.629537 0.250000 0.627939 U\n0.870463 0.250000 0.127939 U\n0.370463 0.750000 0.372061 U\n0.400258 0.750000 0.628677 P\n0.900258 0.250000 0.871323 P\n0.599742 0.250000 0.371323 P\n0.099742 0.750000 0.128677 P\n0.628356 0.750000 0.872758 P\n0.128356 0.250000 0.627242 P\n0.371644 0.250000 0.127242 P\n0.871644 0.750000 0.372758 P\n0.772702 0.750000 0.962425 O\n0.272702 0.250000 0.537575 O\n0.227298 0.250000 0.037575 O\n0.727298 0.750000 0.462425 O\n0.793965 0.750000 0.789765 O\n0.293965 0.250000 0.710235 O\n0.206035 0.250000 0.210235 O\n0.706035 0.750000 0.289765 O\n0.530626 0.421627 0.129011 O\n0.030626 0.578373 0.370989 O\n0.469374 0.921627 0.870989 O\n0.969374 0.078373 0.629011 O\n0.469374 0.578373 0.870989 O\n0.969374 0.421627 0.629011 O\n0.530626 0.078373 0.129011 O\n0.030626 0.921627 0.370989 O\n0.270164 0.750000 0.209439 O\n0.770164 0.250000 0.290561 O\n0.729836 0.250000 0.790561 O\n0.229836 0.750000 0.709439 O\n0.225515 0.750000 0.033187 O\n0.725515 0.250000 0.466813 O\n0.774485 0.250000 0.966813 O\n0.274485 0.750000 0.533187 O\n0.950027 0.927188 0.133929 O\n0.450027 0.072812 0.366071 O\n0.049973 0.427188 0.866071 O\n0.549973 0.572812 0.633929 O\n0.049973 0.072812 0.866071 O\n0.549973 0.927188 0.633929 O\n0.950027 0.572812 0.133929 O\n0.450027 0.427188 0.366071 O\n",
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{
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"structure_string": "Rb1 La2 Ti3 O9\n1.0\n2.812967 -4.872202 0.000000\n2.812967 4.872202 0.000000\n0.000000 0.000000 6.834416\nRb La Ti O\n1 2 3 9\ndirect\n0.000000 0.000000 0.000000 Rb\n0.666667 0.333333 0.331750 La\n0.333333 0.666667 0.668250 La\n0.000000 0.000000 0.500000 Ti\n0.666667 0.333333 0.837882 Ti\n0.333333 0.666667 0.162118 Ti\n0.827642 0.172358 0.654207 O\n0.500000 0.500000 0.000000 O\n0.172358 0.827642 0.345793 O\n0.655283 0.827642 0.345793 O\n0.344717 0.172358 0.654207 O\n0.000000 0.500000 0.000000 O\n0.827642 0.655283 0.654207 O\n0.500000 0.000000 0.000000 O\n0.172358 0.344717 0.345793 O\n",
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"formula_full": "Rb1 La2 Ti3 O9",
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{
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}
]
}