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{
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"structure_string": "Na2 Li3 Ti3 Al1 P6 O24\n1.0\n7.633845 -4.362247 0.000000\n7.633845 4.362247 0.000000\n5.141104 0.000000 7.132590\nNa Li Ti Al P O\n2 3 3 1 6 24\ndirect\n0.004651 0.004651 0.004651 Na\n0.496293 0.496293 0.496293 Na\n0.656065 0.241166 0.847677 Li\n0.241166 0.847677 0.656065 Li\n0.847677 0.656065 0.241166 Li\n0.649283 0.649283 0.649283 Ti\n0.142863 0.142863 0.142863 Ti\n0.358083 0.358083 0.358083 Ti\n0.849782 0.849782 0.849782 Al\n0.241266 0.542010 0.964933 P\n0.964933 0.241266 0.542010 P\n0.542010 0.964933 0.241266 P\n0.461554 0.043258 0.750166 P\n0.043258 0.750166 0.461554 P\n0.750166 0.461554 0.043258 P\n0.069844 0.727595 0.936264 O\n0.407719 0.572549 0.775838 O\n0.210702 0.371807 0.993938 O\n0.133012 0.273907 0.516299 O\n0.936264 0.069844 0.727595 O\n0.775838 0.407719 0.572549 O\n0.516299 0.133012 0.273907 O\n0.572549 0.775838 0.407719 O\n0.630433 0.005032 0.793650 O\n0.278616 0.063994 0.918604 O\n0.273907 0.516299 0.133012 O\n0.005032 0.793650 0.630433 O\n0.993938 0.210702 0.371807 O\n0.706150 0.482982 0.881209 O\n0.727595 0.936264 0.069844 O\n0.371807 0.993938 0.210702 O\n0.445059 0.225037 0.580724 O\n0.482982 0.881209 0.706150 O\n0.225037 0.580724 0.445059 O\n0.063994 0.918604 0.278616 O\n0.881209 0.706150 0.482982 O\n0.793650 0.630433 0.005032 O\n0.580724 0.445059 0.225037 O\n0.918604 0.278616 0.063994 O\n",
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{
"id": "mp-759864",
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"structure_string": "Li2 V2 Cr2 P4 H4 O20\n1.0\n5.309750 0.000000 0.000000\n-2.539257 6.913180 0.000000\n-1.260220 -3.405427 9.714088\nLi V Cr P H O\n2 2 2 4 4 20\ndirect\n0.345865 0.933130 0.782188 Li\n0.654135 0.066870 0.217812 Li\n0.000000 0.000000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.251287 0.255471 0.252228 Cr\n0.748713 0.744529 0.747772 Cr\n0.848117 0.200173 0.976120 P\n0.351647 0.702311 0.474243 P\n0.151883 0.799827 0.023880 P\n0.648353 0.297689 0.525757 P\n0.961590 0.901178 0.246160 H\n0.038410 0.098822 0.753840 H\n0.434598 0.403739 0.743321 H\n0.565402 0.596261 0.256679 H\n0.772271 0.528572 0.596355 O\n0.890964 0.697035 0.074947 O\n0.868680 0.210025 0.560625 O\n0.912981 0.239330 0.131649 O\n0.087019 0.760670 0.868351 O\n0.012145 0.965918 0.686984 O\n0.987855 0.034082 0.313016 O\n0.227729 0.471428 0.403645 O\n0.109036 0.302965 0.925053 O\n0.380402 0.723562 0.064039 O\n0.131320 0.789975 0.439375 O\n0.391236 0.199270 0.582079 O\n0.283587 0.030955 0.105229 O\n0.491329 0.464344 0.180034 O\n0.508671 0.535656 0.819966 O\n0.431857 0.761619 0.632101 O\n0.568143 0.238381 0.367899 O\n0.619598 0.276438 0.935961 O\n0.608764 0.800730 0.417921 O\n0.716413 0.969045 0.894771 O\n",
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"elements": [
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"formula_full": "Li2 V2 Cr2 P4 H4 O20",
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},
{
"id": "mp-605166",
"created_at": "2022-09-04T14:46:16.163416Z",
"structure_string": "K4 Dy4 H8 C8 S4 O36\n1.0\n8.651539 0.000000 0.000000\n0.000000 6.597088 0.000000\n0.000000 5.586695 13.792716\nK Dy H C S O\n4 4 8 8 4 36\ndirect\n0.655078 0.036745 0.695808 K\n0.844922 0.036745 0.195808 K\n0.155078 0.963255 0.804192 K\n0.344922 0.963255 0.304192 K\n0.738645 0.334578 0.411146 Dy\n0.238645 0.665422 0.088854 Dy\n0.761355 0.334578 0.911146 Dy\n0.261355 0.665422 0.588854 Dy\n0.544691 0.034826 0.073324 H\n0.044691 0.965174 0.426676 H\n0.468894 0.733250 0.921895 H\n0.455309 0.965174 0.926676 H\n0.968894 0.266750 0.578105 H\n0.955309 0.034826 0.573324 H\n0.531106 0.266750 0.078105 H\n0.031106 0.733250 0.421895 H\n0.970769 0.631579 0.732119 C\n0.029231 0.368421 0.267881 C\n0.966182 0.412099 0.719785 C\n0.033818 0.587901 0.280215 C\n0.466182 0.587901 0.780215 C\n0.529231 0.631579 0.232119 C\n0.533818 0.412099 0.219785 C\n0.470769 0.368421 0.767881 C\n0.162926 0.256563 0.977714 S\n0.662926 0.743437 0.522286 S\n0.337074 0.256563 0.477714 S\n0.837074 0.743437 0.022286 S\n0.770671 0.955343 0.955676 O\n0.443445 0.778791 0.173154 O\n0.767063 0.563473 0.998275 O\n0.732937 0.563473 0.498275 O\n0.892721 0.649387 0.800559 O\n0.056555 0.778791 0.673154 O\n0.444268 0.391939 0.155438 O\n0.906315 0.179852 0.549543 O\n0.943445 0.221209 0.326846 O\n0.107279 0.350613 0.199441 O\n0.695290 0.709776 0.623994 O\n0.123300 0.732471 0.225111 O\n0.392721 0.350613 0.699441 O\n0.991282 0.252515 0.993881 O\n0.593685 0.179852 0.049543 O\n0.376700 0.732471 0.725111 O\n0.623300 0.267529 0.274889 O\n0.804710 0.709776 0.123994 O\n0.093685 0.820148 0.450457 O\n0.304710 0.290224 0.376006 O\n0.944268 0.608061 0.344562 O\n0.607279 0.649387 0.300559 O\n0.267063 0.436527 0.501725 O\n0.729329 0.955343 0.455676 O\n0.055732 0.391939 0.655438 O\n0.555732 0.608061 0.844562 O\n0.232937 0.436527 0.001725 O\n0.270671 0.044657 0.544324 O\n0.876700 0.267529 0.774889 O\n0.508718 0.252515 0.493881 O\n0.008718 0.747485 0.006119 O\n0.229329 0.044657 0.044324 O\n0.195290 0.290224 0.876006 O\n0.406315 0.820148 0.950457 O\n0.556555 0.221209 0.826846 O\n0.491282 0.747485 0.506119 O\n",
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"density": 3.4061769980943186,
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"formula_full": "K4 Dy4 H8 C8 S4 O36",
"formula_reduced": "KDyH2C2SO9",
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"updated_at": "2021-11-28T01:37:26.793000Z",
"spacegroup": 14
},
{
"id": "mp-1199835",
"created_at": "2022-09-04T14:41:56.908478Z",
"structure_string": "Cs4 Fe4 P8 H12 C4 O40\n1.0\n8.011244 0.000000 -1.469170\n0.000000 10.415407 0.000000\n0.022212 0.000000 11.677513\nCs Fe P H C O\n4 4 8 12 4 40\ndirect\n0.053104 0.826757 0.662912 Cs\n0.553104 0.673243 0.162912 Cs\n0.946896 0.173243 0.337088 Cs\n0.446896 0.326757 0.837088 Cs\n0.043870 0.235012 0.999489 Fe\n0.543870 0.264988 0.499489 Fe\n0.956130 0.764988 0.000511 Fe\n0.456130 0.735012 0.500511 Fe\n0.852862 0.199717 0.720122 P\n0.352862 0.300283 0.220122 P\n0.147138 0.800283 0.279878 P\n0.647138 0.699717 0.779878 P\n0.250328 0.977086 0.956615 P\n0.750328 0.522914 0.456615 P\n0.749672 0.022914 0.043385 P\n0.249672 0.477086 0.543385 P\n0.774133 0.025546 0.791423 H\n0.274133 0.474454 0.291423 H\n0.225867 0.974454 0.208577 H\n0.725867 0.525546 0.708577 H\n0.047657 0.296803 0.638839 H\n0.547657 0.203197 0.138839 H\n0.952343 0.703197 0.361161 H\n0.452343 0.796803 0.861161 H\n0.456724 0.997146 0.106583 H\n0.956724 0.502854 0.606583 H\n0.543276 0.002854 0.893417 H\n0.043276 0.497146 0.393417 H\n0.923181 0.491254 0.029181 C\n0.423181 0.008746 0.529181 C\n0.076819 0.508746 0.970819 C\n0.576819 0.991254 0.470819 C\n0.900795 0.255336 0.841933 O\n0.400795 0.244664 0.341933 O\n0.099205 0.744664 0.158067 O\n0.599205 0.755336 0.658067 O\n0.691420 0.261680 0.657477 O\n0.191420 0.238320 0.157477 O\n0.308580 0.738320 0.342523 O\n0.808580 0.761680 0.842523 O\n0.831306 0.047979 0.725602 O\n0.331306 0.452021 0.225602 O\n0.168694 0.952021 0.274398 O\n0.668694 0.547979 0.774398 O\n0.996930 0.208529 0.646219 O\n0.496930 0.291471 0.146219 O\n0.003070 0.791471 0.353781 O\n0.503070 0.708529 0.853781 O\n0.093616 0.893158 0.938647 O\n0.593616 0.606842 0.438647 O\n0.906384 0.106842 0.061353 O\n0.406384 0.393158 0.561353 O\n0.207063 0.120820 0.939767 O\n0.707063 0.379180 0.439767 O\n0.792937 0.879180 0.060233 O\n0.292937 0.620820 0.560233 O\n0.372008 0.936786 0.876014 O\n0.872008 0.563214 0.376014 O\n0.627992 0.063214 0.123986 O\n0.127992 0.436786 0.623986 O\n0.340417 0.954181 0.089758 O\n0.840417 0.545819 0.589758 O\n0.659583 0.045819 0.910242 O\n0.159583 0.454181 0.410242 O\n0.889007 0.378374 0.056344 O\n0.389007 0.121626 0.556344 O\n0.110993 0.621626 0.943656 O\n0.610993 0.878374 0.443656 O\n0.156922 0.407404 0.955022 O\n0.656922 0.092596 0.455022 O\n0.843078 0.592596 0.044978 O\n0.343078 0.907404 0.544978 O\n",
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"formula_full": "Cs4 Fe4 P8 H12 C4 O40",
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},
{
"id": "mp-1203787",
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"structure_string": "Ca24 Mn4 Be16 Si24 H4 O96\n1.0\n9.910064 0.000000 0.000000\n0.000000 13.707659 0.000000\n0.000000 0.000000 13.954856\nCa Mn Be Si H O\n24 4 16 24 4 96\ndirect\n0.496369 0.888110 0.383714 Ca\n0.996369 0.611890 0.116286 Ca\n0.503631 0.111890 0.883714 Ca\n0.003631 0.388110 0.616286 Ca\n0.503631 0.111890 0.616286 Ca\n0.003631 0.388110 0.883714 Ca\n0.496369 0.888110 0.116286 Ca\n0.996369 0.611890 0.383714 Ca\n0.009631 0.183999 0.388233 Ca\n0.509631 0.316001 0.111767 Ca\n0.990369 0.816001 0.888233 Ca\n0.490369 0.683999 0.611767 Ca\n0.990369 0.816001 0.611767 Ca\n0.490369 0.683999 0.888233 Ca\n0.009631 0.183999 0.111767 Ca\n0.509631 0.316001 0.388233 Ca\n0.999495 0.910117 0.392122 Ca\n0.499495 0.589883 0.107878 Ca\n0.000505 0.089883 0.892122 Ca\n0.500505 0.410117 0.607878 Ca\n0.000505 0.089883 0.607878 Ca\n0.500505 0.410117 0.892122 Ca\n0.999495 0.910117 0.107878 Ca\n0.499495 0.589883 0.392122 Ca\n0.499333 0.105099 0.250000 Mn\n0.999333 0.394901 0.250000 Mn\n0.500667 0.894901 0.750000 Mn\n0.000667 0.605099 0.750000 Mn\n0.737273 0.098310 0.415708 Be\n0.237273 0.401690 0.084292 Be\n0.262727 0.901690 0.915708 Be\n0.762727 0.598310 0.584292 Be\n0.262727 0.901690 0.584292 Be\n0.762727 0.598310 0.915708 Be\n0.737273 0.098310 0.084292 Be\n0.237273 0.401690 0.415708 Be\n0.762286 0.961660 0.750000 Be\n0.262286 0.538340 0.750000 Be\n0.237714 0.038340 0.250000 Be\n0.737714 0.461660 0.250000 Be\n0.767526 0.771446 0.250000 Be\n0.267526 0.728554 0.250000 Be\n0.232474 0.228554 0.750000 Be\n0.732474 0.271446 0.750000 Be\n0.728255 0.242700 0.250000 Si\n0.228255 0.257300 0.250000 Si\n0.271745 0.757300 0.750000 Si\n0.771745 0.742700 0.750000 Si\n0.782818 0.984714 0.250000 Si\n0.282818 0.515286 0.250000 Si\n0.217182 0.015286 0.750000 Si\n0.717182 0.484714 0.750000 Si\n0.714590 0.950551 0.548876 Si\n0.214590 0.549449 0.951124 Si\n0.285410 0.049449 0.048876 Si\n0.785410 0.450551 0.451124 Si\n0.285410 0.049449 0.451124 Si\n0.785410 0.450551 0.048876 Si\n0.714590 0.950551 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},
{
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"structure_string": "Li4 Ti1 Fe3 Sn2 P6 O24\n1.0\n9.306202 0.309983 0.432211\n4.962100 7.848675 0.355573\n5.132473 2.859130 7.422403\nLi Ti Fe Sn P O\n4 1 3 2 6 24\ndirect\n0.796276 0.130470 0.401696 Li\n0.293273 0.914327 0.626915 Li\n0.644798 0.293846 0.897192 Li\n0.889829 0.642321 0.304206 Li\n0.850692 0.839225 0.856519 Ti\n0.169137 0.152481 0.154917 Fe\n0.331122 0.352061 0.313411 Fe\n0.645529 0.653813 0.662566 Fe\n0.041088 0.021323 0.013974 Sn\n0.455092 0.502260 0.469763 Sn\n0.035518 0.749284 0.455925 P\n0.462522 0.037345 0.752540 P\n0.231064 0.552759 0.953979 P\n0.546072 0.952228 0.237140 P\n0.949436 0.236424 0.543610 P\n0.749387 0.447497 0.042329 P\n0.154152 0.189106 0.512371 O\n0.167908 0.554921 0.147003 O\n0.096473 0.907950 0.263350 O\n0.537573 0.152944 0.171994 O\n0.985928 0.803333 0.610032 O\n0.200496 0.556120 0.460846 O\n0.266917 0.122441 0.890723 O\n0.513877 0.195819 0.554030 O\n0.202480 0.396865 0.972554 O\n0.548158 0.466495 0.207316 O\n0.108013 0.747576 0.847352 O\n0.387343 0.952050 0.229173 O\n0.616818 0.956615 0.822214 O\n0.885730 0.249884 0.123909 O\n0.439279 0.537864 0.830921 O\n0.814522 0.598745 0.989313 O\n0.546170 0.827723 0.434800 O\n0.742885 0.855393 0.099899 O\n0.820888 0.434860 0.543643 O\n0.950753 0.210489 0.395990 O\n0.444162 0.891755 0.739934 O\n0.860180 0.096165 0.743772 O\n0.749261 0.450238 0.880117 O\n0.869199 0.743984 0.465063 O\n",
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{
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0.203951 H\n0.430589 0.953454 0.703951 H\n0.992969 0.167102 0.622261 H\n0.992969 0.332898 0.122261 H\n0.007031 0.832898 0.377739 H\n0.007031 0.667102 0.877739 H\n0.131581 0.131234 0.592369 H\n0.131581 0.368766 0.092369 H\n0.868419 0.868766 0.407631 H\n0.868419 0.631234 0.907631 H\n0.204086 0.090025 0.482951 H\n0.204086 0.409975 0.982951 H\n0.795914 0.909975 0.517049 H\n0.795914 0.590025 0.017049 H\n0.998560 0.067715 0.463410 H\n0.998560 0.432285 0.963410 H\n0.001440 0.932285 0.536590 H\n0.001440 0.567715 0.036590 H\n0.208539 0.017376 0.603181 H\n0.208539 0.482624 0.103181 H\n0.791461 0.982624 0.396819 H\n0.791461 0.517376 0.896819 H\n0.144748 0.990585 0.680457 H\n0.144748 0.509415 0.180457 H\n0.855252 0.009415 0.319543 H\n0.855252 0.490585 0.819543 H\n0.582498 0.269419 0.782133 C\n0.582498 0.230581 0.282133 C\n0.417502 0.730581 0.217867 C\n0.417502 0.769419 0.717867 C\n0.700984 0.061801 0.613688 C\n0.700984 0.438199 0.113688 C\n0.299016 0.938199 0.386312 C\n0.299016 0.561801 0.886312 C\n0.187658 0.139416 0.934399 C\n0.187658 0.360584 0.434399 C\n0.812342 0.860584 0.065601 C\n0.812342 0.639416 0.565601 C\n0.814169 0.432940 0.574897 C\n0.814169 0.067060 0.074897 C\n0.185831 0.567060 0.425103 C\n0.185831 0.932940 0.925103 C\n0.582448 0.126565 0.561095 S\n0.582448 0.373435 0.061095 S\n0.417552 0.873435 0.438905 S\n0.417552 0.626565 0.938905 S\n0.231514 0.211980 0.939039 S\n0.231514 0.288020 0.439039 S\n0.768486 0.788020 0.060961 S\n0.768486 0.711980 0.560961 S\n0.974011 0.401122 0.703225 S\n0.974011 0.098878 0.203225 S\n0.025989 0.598878 0.296775 S\n0.025989 0.901122 0.796775 S\n0.892403 0.264622 0.604859 O\n0.892403 0.235378 0.104859 O\n0.107597 0.735378 0.395141 O\n0.107597 0.764622 0.895141 O\n0.447935 0.432039 0.755786 O\n0.447935 0.067961 0.255786 O\n0.552065 0.567961 0.244214 O\n0.552065 0.932039 0.744214 O\n0.129990 0.157486 0.644555 O\n0.129990 0.342514 0.144555 O\n0.870010 0.842514 0.355445 O\n0.870010 0.657486 0.855445 O\n0.541168 0.146697 0.643168 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F\n0.004635 0.629611 0.601237 F\n0.701495 0.396233 0.504937 F\n0.701495 0.103767 0.004937 F\n0.298505 0.603767 0.495063 F\n0.298505 0.896233 0.995063 F\n0.696138 0.468809 0.586740 F\n0.696138 0.031191 0.086740 F\n0.303862 0.531191 0.413260 F\n0.303862 0.968809 0.913260 F\n0.922471 0.457473 0.536741 F\n0.922471 0.042527 0.036741 F\n0.077529 0.542527 0.463259 F\n0.077529 0.957473 0.963259 F\n",
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],
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"updated_at": "2021-11-28T01:35:17.512000Z",
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}
]
}