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{
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{
"id": "mp-760189",
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"structure_string": "Li4 V4 O4 F16\n1.0\n5.038056 0.000000 0.000000\n-0.246520 7.818990 0.000000\n-0.104884 -3.812594 9.463984\nLi V O F\n4 4 4 16\ndirect\n0.031111 0.634921 0.312853 Li\n0.436706 0.653545 0.801275 Li\n0.988488 0.129327 0.365297 Li\n0.520900 0.130788 0.863999 Li\n0.535064 0.949582 0.497206 V\n0.507037 0.464176 0.491953 V\n0.965672 0.542518 0.997588 V\n0.023372 0.044906 0.002934 V\n0.647978 0.752026 0.488973 O\n0.841674 0.723823 0.983342 O\n0.165062 0.233141 0.000709 O\n0.759977 0.378340 0.392871 O\n0.654670 0.962562 0.331369 F\n0.201005 0.887954 0.410145 F\n0.236419 0.635641 0.126767 F\n0.831833 0.959952 0.833844 F\n0.792815 0.525569 0.151965 F\n0.291862 0.888614 0.913069 F\n0.277922 0.633373 0.623672 F\n0.284328 0.486415 0.355668 F\n0.701077 0.521317 0.657391 F\n0.706863 0.122076 0.080070 F\n0.216020 0.481694 0.859389 F\n0.329571 0.255806 0.490153 F\n0.130611 0.041352 0.174425 F\n0.738390 0.354946 0.887156 F\n0.801938 0.117086 0.575946 F\n0.372945 0.040211 0.667488 F\n",
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"formula_full": "Li4 V4 O4 F16",
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},
{
"id": "mp-754565",
"created_at": "2022-09-04T14:48:24.020728Z",
"structure_string": "Li1 Fe6 O7 F5\n1.0\n5.851595 0.000000 0.000000\n-0.921113 5.968032 0.000000\n-1.056528 -1.258662 5.873168\nLi Fe O F\n1 6 7 5\ndirect\n0.992742 0.982707 0.995543 Li\n0.298201 0.611916 0.135059 Fe\n0.850467 0.651254 0.372159 Fe\n0.602307 0.154578 0.349579 Fe\n0.400560 0.856131 0.654584 Fe\n0.147222 0.345492 0.609927 Fe\n0.674782 0.412704 0.872878 Fe\n0.928385 0.657805 0.069050 O\n0.571570 0.403119 0.176437 O\n0.592647 0.829927 0.410571 O\n0.188430 0.575399 0.416104 O\n0.820661 0.418667 0.594265 O\n0.404267 0.177466 0.590085 O\n0.413287 0.607187 0.833342 O\n0.319114 0.959494 0.114976 F\n0.941712 0.117543 0.316038 F\n0.055037 0.884867 0.671906 F\n0.682932 0.056268 0.888047 F\n0.115680 0.297480 0.929453 F\n",
"nsites": 19,
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"elements": [
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"formula_full": "Li1 Fe6 O7 F5",
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"spacegroup": 1
},
{
"id": "mp-1234865",
"created_at": "2022-09-04T14:48:17.217628Z",
"structure_string": "Mg1 Tl6 C2 O6 F2\n1.0\n6.326044 0.042088 -0.024330\n0.111885 6.265108 -4.443396\n-0.140093 0.110987 9.291393\nMg Tl C O F\n1 6 2 6 2\ndirect\n0.747452 0.819918 0.426727 Mg\n0.274713 0.670559 0.498005 Tl\n0.685425 0.891016 0.798189 Tl\n0.779118 0.344692 0.560635 Tl\n0.262422 0.070046 0.234888 Tl\n0.279611 0.238952 0.797992 Tl\n0.791731 0.755240 0.058579 Tl\n0.256266 0.671010 0.832767 C\n0.759196 0.323499 0.197587 C\n0.212586 0.674453 0.971839 O\n0.256761 0.846974 0.842567 O\n0.296994 0.490395 0.685658 O\n0.695592 0.277897 0.048432 O\n0.807357 0.178570 0.225990 O\n0.775936 0.521625 0.332499 O\n0.998497 0.981082 0.518729 F\n0.526591 0.985740 0.418915 F\n",
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],
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"updated_at": "2021-11-28T01:38:56.471000Z",
"spacegroup": 1
},
{
"id": "mp-22743",
"created_at": "2022-09-04T14:48:17.611863Z",
"structure_string": "Ba4 Yb4 Co16 O28\n1.0\n6.333684 0.000000 0.000000\n0.000000 10.309713 0.000000\n0.000000 0.000000 11.124379\nBa Yb Co O\n4 4 16 28\ndirect\n0.496729 0.007240 0.172595 Ba\n0.003271 0.007240 0.672595 Ba\n0.996729 0.507240 0.327405 Ba\n0.503271 0.507240 0.827405 Ba\n0.989844 0.371799 0.670766 Yb\n0.510156 0.371799 0.170766 Yb\n0.489844 0.871799 0.829234 Yb\n0.010156 0.871799 0.329234 Yb\n0.998522 0.184668 0.171243 Co\n0.267107 0.192589 0.913888 Co\n0.996605 0.945006 0.000362 Co\n0.767107 0.692589 0.586112 Co\n0.232893 0.192589 0.413888 Co\n0.496605 0.445006 0.499638 Co\n0.503395 0.945006 0.500362 Co\n0.748228 0.180423 0.417278 Co\n0.003395 0.445006 0.999638 Co\n0.498522 0.684668 0.328757 Co\n0.251772 0.680423 0.582722 Co\n0.501478 0.184668 0.671243 Co\n0.751772 0.180423 0.917278 Co\n0.732893 0.692589 0.086112 Co\n0.248228 0.680423 0.082722 Co\n0.001478 0.684668 0.828757 Co\n0.230010 0.266571 0.264746 O\n0.232267 0.716857 0.251959 O\n0.730010 0.766571 0.235254 O\n0.245693 0.491455 0.569455 O\n0.267733 0.716857 0.751959 O\n0.732267 0.216857 0.248041 O\n0.997007 0.728742 0.490154 O\n0.502993 0.728742 0.990154 O\n0.279213 0.007448 0.399732 O\n0.269990 0.266571 0.764746 O\n0.062607 0.997682 0.154251 O\n0.437393 0.997682 0.654251 O\n0.491038 0.255119 0.500675 O\n0.008962 0.255119 0.000675 O\n0.220787 0.007448 0.899732 O\n0.769990 0.766571 0.735254 O\n0.497007 0.228742 0.009846 O\n0.779213 0.507448 0.100268 O\n0.508962 0.755119 0.499325 O\n0.767733 0.216857 0.748041 O\n0.991038 0.755119 0.999325 O\n0.002993 0.228742 0.509846 O\n0.720787 0.507448 0.600268 O\n0.937393 0.497682 0.845749 O\n0.562607 0.497682 0.345749 O\n0.745693 0.991455 0.930545 O\n0.254307 0.491455 0.069455 O\n0.754307 0.991455 0.430545 O\n",
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"elements": [
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"volume": 726.4048646873852,
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"formula_full": "Ba4 Yb4 Co16 O28",
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"spacegroup": 33
},
{
"id": "mp-699473",
"created_at": "2022-09-04T14:48:21.001176Z",
"structure_string": "Li4 B24 H52 O14\n1.0\n4.686628 -6.081676 0.000000\n4.686628 6.081676 0.000000\n0.000000 0.000000 14.781186\nLi B H O\n4 24 52 14\ndirect\n0.814869 0.090957 0.250000 Li\n0.909043 0.185131 0.750000 Li\n0.185131 0.909043 0.750000 Li\n0.090957 0.814869 0.250000 Li\n0.320391 0.320391 0.984746 B\n0.679609 0.679609 0.015254 B\n0.320391 0.320391 0.515254 B\n0.679609 0.679609 0.484746 B\n0.398669 0.398669 0.094479 B\n0.601331 0.601331 0.905521 B\n0.398669 0.398669 0.405521 B\n0.601331 0.601331 0.594479 B\n0.489743 0.636359 0.089090 B\n0.363641 0.510257 0.910910 B\n0.489743 0.636359 0.410910 B\n0.363641 0.510257 0.589090 B\n0.510257 0.363641 0.910910 B\n0.636359 0.489743 0.089090 B\n0.510257 0.363641 0.589090 B\n0.636359 0.489743 0.410910 B\n0.531731 0.295148 0.024377 B\n0.704852 0.468269 0.975623 B\n0.531731 0.295148 0.475623 B\n0.704852 0.468269 0.524377 B\n0.468269 0.704852 0.975623 B\n0.295148 0.531731 0.024377 B\n0.468269 0.704852 0.524377 B\n0.295148 0.531731 0.475623 B\n0.762372 0.762372 0.197656 H\n0.237628 0.237628 0.802344 H\n0.762372 0.762372 0.302344 H\n0.237628 0.237628 0.697656 H\n0.162218 0.521449 0.197569 H\n0.478551 0.837782 0.802431 H\n0.162218 0.521449 0.302431 H\n0.478551 0.837782 0.697569 H\n0.837782 0.478551 0.802431 H\n0.521449 0.162218 0.197569 H\n0.837782 0.478551 0.697569 H\n0.521449 0.162218 0.302431 H\n0.213640 0.036250 0.393501 H\n0.963750 0.786360 0.606499 H\n0.213640 0.036250 0.106499 H\n0.963750 0.786360 0.893501 H\n0.786360 0.963750 0.606499 H\n0.036250 0.213640 0.393501 H\n0.786360 0.963750 0.893501 H\n0.036250 0.213640 0.106499 H\n0.244141 0.846466 0.406402 H\n0.153534 0.755859 0.593598 H\n0.244141 0.846466 0.093598 H\n0.153534 0.755859 0.906402 H\n0.755859 0.153534 0.593598 H\n0.846466 0.244141 0.406402 H\n0.755859 0.153534 0.906402 H\n0.846466 0.244141 0.093598 H\n0.193047 0.193047 0.973915 H\n0.806953 0.806953 0.026085 H\n0.193047 0.193047 0.526085 H\n0.806953 0.806953 0.473915 H\n0.325244 0.325244 0.161892 H\n0.674756 0.674756 0.838108 H\n0.325244 0.325244 0.338108 H\n0.674756 0.674756 0.661892 H\n0.480100 0.732979 0.151730 H\n0.267021 0.519900 0.848270 H\n0.480100 0.732979 0.348270 H\n0.267021 0.519900 0.651730 H\n0.519900 0.267021 0.848270 H\n0.732979 0.480100 0.151730 H\n0.519900 0.267021 0.651730 H\n0.732979 0.480100 0.348270 H\n0.556600 0.149844 0.041352 H\n0.850156 0.443400 0.958648 H\n0.556600 0.149844 0.458648 H\n0.850156 0.443400 0.541352 H\n0.443400 0.850156 0.958648 H\n0.149844 0.556600 0.041352 H\n0.443400 0.850156 0.541352 H\n0.149844 0.556600 0.458648 H\n0.826800 0.826800 0.250000 O\n0.173200 0.173200 0.750000 O\n0.112597 0.569116 0.250000 O\n0.430884 0.887403 0.750000 O\n0.887403 0.430884 0.750000 O\n0.569116 0.112597 0.250000 O\n0.179950 0.914259 0.368926 O\n0.085741 0.820050 0.631074 O\n0.179950 0.914259 0.131074 O\n0.085741 0.820050 0.868926 O\n0.820050 0.085741 0.631074 O\n0.914259 0.179950 0.368926 O\n0.820050 0.085741 0.868926 O\n0.914259 0.179950 0.131074 O\n",
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"formula_full": "Li4 B24 H52 O14",
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"spacegroup": 63
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{
"id": "mp-557823",
"created_at": "2022-09-04T14:48:15.541864Z",
"structure_string": "Sb4 Xe4 O8 F28\n1.0\n5.930053 0.000000 0.000000\n0.000000 10.534295 0.000000\n0.000000 0.684490 12.332571\nSb Xe O F\n4 4 8 28\ndirect\n0.290683 0.669127 0.372019 Sb\n0.790683 0.330873 0.127981 Sb\n0.209317 0.669127 0.872019 Sb\n0.709317 0.330873 0.627981 Sb\n0.816445 0.801816 0.132516 Xe\n0.683555 0.801816 0.632516 Xe\n0.183555 0.198184 0.867484 Xe\n0.316445 0.198184 0.367484 Xe\n0.599171 0.127588 0.389219 O\n0.383738 0.110368 0.958149 O\n0.900829 0.127588 0.889219 O\n0.616262 0.889632 0.041851 O\n0.099171 0.872412 0.110781 O\n0.883738 0.889632 0.541851 O\n0.400829 0.872412 0.610781 O\n0.116262 0.110368 0.458149 O\n0.821728 0.511046 0.127629 F\n0.381049 0.651217 0.001890 F\n0.980530 0.339726 0.716191 F\n0.432098 0.316955 0.544021 F\n0.744313 0.892282 0.269673 F\n0.678272 0.511046 0.627629 F\n0.321728 0.488954 0.372371 F\n0.519470 0.339726 0.216191 F\n0.762845 0.150831 0.134459 F\n0.755687 0.892282 0.769673 F\n0.618951 0.348783 0.998110 F\n0.530651 0.320266 0.759716 F\n0.255687 0.107718 0.730327 F\n0.262845 0.849169 0.365541 F\n0.237155 0.849169 0.865541 F\n0.969349 0.320266 0.259716 F\n0.244313 0.107718 0.230327 F\n0.469349 0.679734 0.240284 F\n0.932098 0.683045 0.955979 F\n0.178272 0.488954 0.872371 F\n0.567902 0.683045 0.455979 F\n0.019470 0.660274 0.283809 F\n0.118951 0.651217 0.501890 F\n0.067902 0.316955 0.044021 F\n0.737155 0.150831 0.634459 F\n0.881049 0.348783 0.498110 F\n0.480530 0.660274 0.783809 F\n0.030651 0.679734 0.740284 F\n",
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{
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"structure_string": "Ge4 Pt4 Se4\n1.0\n6.077593 0.000000 0.000000\n0.000000 6.091925 0.000000\n0.000000 0.000000 6.151135\nGe Pt Se\n4 4 4\ndirect\n0.618549 0.880695 0.874390 Ge\n0.118549 0.119305 0.125610 Ge\n0.118549 0.619305 0.874390 Ge\n0.618549 0.380695 0.125610 Ge\n0.996394 0.492280 0.240125 Pt\n0.496394 0.507720 0.759875 Pt\n0.496394 0.007720 0.240125 Pt\n0.996394 0.992280 0.759875 Pt\n0.384057 0.116100 0.636328 Se\n0.884057 0.883900 0.363672 Se\n0.884057 0.383900 0.636328 Se\n0.384057 0.616100 0.363672 Se\n",
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{
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