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{
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{
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n1.444091 10.560238 0.000000\n-1.444091 10.560238 0.000000\n0.000000 4.019891 9.515737\nLi Mn Co O\n9 2 5 16\ndirect\n0.636266 0.636266 0.797581 Li\n0.867089 0.867089 0.456581 Li\n0.130651 0.130651 0.054869 Li\n0.127816 0.127816 0.554369 Li\n0.369111 0.369111 0.196479 Li\n0.628868 0.628868 0.313794 Li\n0.867384 0.867384 0.942181 Li\n0.374461 0.374461 0.676483 Li\n0.250467 0.250467 0.624828 Li\n0.999949 0.999949 0.003968 Mn\n0.499985 0.499985 0.746075 Mn\n0.499651 0.499651 0.253650 Co\n0.753639 0.753639 0.854613 Co\n0.000575 0.000575 0.494204 Co\n0.249458 0.249458 0.126121 Co\n0.746544 0.746544 0.396315 Co\n0.556801 0.556801 0.023715 O\n0.811027 0.811027 0.672375 O\n0.055353 0.055353 0.279331 O\n0.051102 0.051102 0.795763 O\n0.309664 0.309664 0.397965 O\n0.560388 0.560388 0.524505 O\n0.803496 0.803496 0.152163 O\n0.302017 0.302017 0.928616 O\n0.688778 0.688778 0.579302 O\n0.948720 0.948720 0.206625 O\n0.190353 0.190353 0.851425 O\n0.198201 0.198201 0.324268 O\n0.442381 0.442381 0.983887 O\n0.695418 0.695418 0.100009 O\n0.943888 0.943888 0.720160 O\n0.440496 0.440496 0.467776 O\n",
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{
"id": "mp-1200118",
"created_at": "2022-09-04T14:44:20.816488Z",
"structure_string": "V8 As4 O24\n1.0\n4.842459 0.000000 0.000000\n0.000000 9.034675 0.000000\n0.000000 0.000000 9.643771\nV As O\n8 4 24\ndirect\n0.102551 0.667541 0.891022 V\n0.397449 0.332459 0.391022 V\n0.602551 0.832459 0.108978 V\n0.897449 0.167541 0.608978 V\n0.113409 0.006118 0.904369 V\n0.386591 0.993882 0.404369 V\n0.613409 0.493882 0.095631 V\n0.886591 0.506118 0.595631 V\n0.886194 0.158918 0.190982 As\n0.613806 0.841082 0.690982 As\n0.386194 0.341082 0.809018 As\n0.113806 0.658918 0.309018 As\n0.917795 0.154323 0.015414 O\n0.582205 0.845677 0.515414 O\n0.417795 0.345677 0.984586 O\n0.082205 0.654323 0.484586 O\n0.712039 0.322079 0.233948 O\n0.787961 0.677921 0.733948 O\n0.212039 0.177921 0.766052 O\n0.287961 0.822079 0.266052 O\n0.712457 0.001328 0.248015 O\n0.787543 0.998672 0.748015 O\n0.212457 0.498672 0.751985 O\n0.287543 0.501328 0.251985 O\n0.206320 0.162370 0.272033 O\n0.293680 0.837630 0.772033 O\n0.706320 0.337630 0.727967 O\n0.793680 0.662370 0.227967 O\n0.413498 0.662044 0.018535 O\n0.086502 0.337956 0.518535 O\n0.913498 0.837956 0.981465 O\n0.586502 0.162044 0.481465 O\n0.395421 0.985042 0.006278 O\n0.104579 0.014958 0.506278 O\n0.895421 0.514958 0.993722 O\n0.604579 0.485042 0.493722 O\n",
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{
"id": "mp-818265",
"created_at": "2022-09-04T14:45:53.300643Z",
"structure_string": "Te2 Mo6 N4 O24\n1.0\n3.740729 -6.479133 0.000000\n3.740729 6.479133 0.000000\n0.000000 0.000000 11.742843\nTe Mo N O\n2 6 4 24\ndirect\n0.000000 0.000000 0.632786 Te\n0.000000 0.000000 0.132786 Te\n0.797347 0.115008 0.883010 Mo\n0.317661 0.202653 0.883010 Mo\n0.884992 0.682339 0.883010 Mo\n0.202653 0.884992 0.383010 Mo\n0.682339 0.797347 0.383010 Mo\n0.115008 0.317661 0.383010 Mo\n0.666667 0.333333 0.598167 N\n0.333333 0.666667 0.098167 N\n0.333333 0.666667 0.712890 N\n0.666667 0.333333 0.212890 N\n0.128567 0.279828 0.883311 O\n0.151261 0.871433 0.883311 O\n0.720172 0.848739 0.883311 O\n0.871433 0.720172 0.383311 O\n0.848739 0.128567 0.383311 O\n0.279828 0.151261 0.383311 O\n0.131779 0.256616 0.543360 O\n0.124838 0.868221 0.543360 O\n0.743384 0.875162 0.543360 O\n0.868221 0.743384 0.043360 O\n0.875162 0.131779 0.043360 O\n0.256616 0.124838 0.043360 O\n0.553992 0.099433 0.882623 O\n0.545441 0.446008 0.882623 O\n0.900567 0.454559 0.882623 O\n0.446008 0.900567 0.382623 O\n0.454559 0.553992 0.382623 O\n0.099433 0.545441 0.382623 O\n0.875673 0.131378 0.722998 O\n0.255706 0.124327 0.722998 O\n0.868622 0.744294 0.722998 O\n0.124327 0.868622 0.222998 O\n0.744294 0.875673 0.222998 O\n0.131378 0.255706 0.222998 O\n",
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"formula_full": "Te2 Mo6 N4 O24",
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"spacegroup": 173
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{
"id": "mp-772528",
"created_at": "2022-09-04T14:41:14.692167Z",
"structure_string": "Mn4 Zn4 O12\n1.0\n5.188248 0.000000 0.000000\n0.000000 7.405507 0.000000\n0.000000 0.000000 5.077817\nMn Zn O\n4 4 12\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.048148 0.250000 0.991164 Zn\n0.451852 0.750000 0.491164 Zn\n0.548148 0.250000 0.508836 Zn\n0.951852 0.750000 0.008836 Zn\n0.062070 0.750000 0.620070 O\n0.189492 0.564430 0.184818 O\n0.189492 0.935570 0.184818 O\n0.310508 0.064430 0.684818 O\n0.310508 0.435570 0.684818 O\n0.437930 0.250000 0.120070 O\n0.562070 0.750000 0.879930 O\n0.689492 0.935570 0.315182 O\n0.689492 0.564430 0.315182 O\n0.810508 0.064430 0.815182 O\n0.810508 0.435570 0.815182 O\n0.937930 0.250000 0.379930 O\n",
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],
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"volume": 195.097888591396,
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"formula_full": "Mn4 Zn4 O12",
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{
"id": "mp-559878",
"created_at": "2022-09-04T14:39:29.760275Z",
"structure_string": "K8 Na8 Ir4 O16\n1.0\n11.297388 0.000000 0.000000\n0.000000 6.087616 0.000000\n0.000000 3.686045 8.707237\nK Na Ir O\n8 8 4 16\ndirect\n0.362571 0.334270 0.502516 K\n0.634373 0.342319 0.278873 K\n0.365627 0.657681 0.721127 K\n0.134373 0.657681 0.221127 K\n0.865627 0.342319 0.778873 K\n0.637429 0.665730 0.497484 K\n0.137429 0.334270 0.002516 K\n0.862571 0.665730 0.997484 K\n0.112827 0.068126 0.405107 Na\n0.608435 0.434455 0.905777 Na\n0.391565 0.565545 0.094223 Na\n0.612827 0.931874 0.094893 Na\n0.891565 0.434455 0.405777 Na\n0.387173 0.068126 0.905107 Na\n0.108435 0.565545 0.594223 Na\n0.887173 0.931874 0.594893 Na\n0.370153 0.986002 0.270881 Ir\n0.629847 0.013998 0.729119 Ir\n0.129847 0.986002 0.770881 Ir\n0.870153 0.013998 0.229119 Ir\n0.534799 0.281907 0.724222 O\n0.034799 0.718093 0.775778 O\n0.730350 0.221424 0.566444 O\n0.769650 0.221424 0.066444 O\n0.465124 0.201219 0.101010 O\n0.965124 0.798781 0.398990 O\n0.465201 0.718093 0.275778 O\n0.034876 0.201219 0.601010 O\n0.775455 0.743108 0.238647 O\n0.224545 0.256892 0.761353 O\n0.275455 0.256892 0.261353 O\n0.534876 0.798781 0.898990 O\n0.724545 0.743108 0.738647 O\n0.269650 0.778576 0.433556 O\n0.230350 0.778576 0.933556 O\n0.965201 0.281907 0.224222 O\n",
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],
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{
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{
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"structure_string": "Cr4 H68 N16 Cl8 O12\n1.0\n10.203609 0.000000 0.000000\n0.000000 9.520339 0.000000\n0.000000 7.913992 10.699439\nCr H N Cl O\n4 68 16 8 12\ndirect\n0.429590 0.852211 0.619471 Cr\n0.070410 0.852211 0.119471 Cr\n0.570410 0.147789 0.380529 Cr\n0.929590 0.147789 0.880529 Cr\n0.387219 0.940918 0.398063 H\n0.112781 0.940918 0.898063 H\n0.612781 0.059082 0.601937 H\n0.887219 0.059082 0.101937 H\n0.201434 0.786413 0.563619 H\n0.298566 0.786413 0.063619 H\n0.798566 0.213587 0.436381 H\n0.701434 0.213587 0.936381 H\n0.195951 0.714672 0.712690 H\n0.304049 0.714672 0.212690 H\n0.804049 0.285328 0.287310 H\n0.695951 0.285328 0.787310 H\n0.263488 0.593208 0.675115 H\n0.236512 0.593208 0.175115 H\n0.736512 0.406792 0.324885 H\n0.763488 0.406792 0.824885 H\n0.423314 0.584664 0.861231 H\n0.076686 0.584664 0.361231 H\n0.576686 0.415336 0.138769 H\n0.923314 0.415336 0.638769 H\n0.429315 0.770354 0.847807 H\n0.070685 0.770354 0.347807 H\n0.570685 0.229646 0.152193 H\n0.929315 0.229646 0.652193 H\n0.564541 0.687664 0.831403 H\n0.935459 0.687664 0.331403 H\n0.435459 0.312336 0.168597 H\n0.064541 0.312336 0.668597 H\n0.381474 0.094213 0.654164 H\n0.118526 0.094213 0.154164 H\n0.618526 0.905787 0.345836 H\n0.881474 0.905787 0.845836 H\n0.257825 0.953661 0.712874 H\n0.242175 0.953661 0.212874 H\n0.742175 0.046339 0.287126 H\n0.757825 0.046339 0.787126 H\n0.264402 0.110195 0.560436 H\n0.235598 0.110195 0.060436 H\n0.735598 0.889805 0.439564 H\n0.764402 0.889805 0.939564 H\n0.513770 0.665163 0.546595 H\n0.986230 0.665163 0.046595 H\n0.486230 0.334837 0.453405 H\n0.013770 0.334837 0.953405 H\n0.509169 0.537039 0.701136 H\n0.990831 0.537039 0.201136 H\n0.490831 0.462961 0.298864 H\n0.009169 0.462961 0.798864 H\n0.635275 0.673414 0.627923 H\n0.864725 0.673414 0.127923 H\n0.364725 0.326586 0.372077 H\n0.135275 0.326586 0.872077 H\n0.012039 0.872844 0.465579 H\n0.487961 0.872844 0.965579 H\n0.987961 0.127156 0.534421 H\n0.512039 0.127156 0.034421 H\n0.100801 0.041053 0.392581 H\n0.399199 0.041053 0.892581 H\n0.899199 0.958947 0.607419 H\n0.600801 0.958947 0.107419 H\n0.289385 0.483218 0.539260 H\n0.210615 0.483218 0.039260 H\n0.710615 0.516782 0.460740 H\n0.789385 0.516782 0.960740 H\n0.314828 0.345388 0.682609 H\n0.185172 0.345388 0.182609 H\n0.685172 0.654612 0.317391 H\n0.814828 0.654612 0.817391 H\n0.253073 0.719014 0.646844 N\n0.246927 0.719014 0.146844 N\n0.746927 0.280986 0.353156 N\n0.753073 0.280986 0.853156 N\n0.465275 0.706537 0.812974 N\n0.034725 0.706537 0.312974 N\n0.534725 0.293463 0.187026 N\n0.965275 0.293463 0.687026 N\n0.320945 0.023766 0.638023 N\n0.179055 0.023766 0.138023 N\n0.679055 0.976234 0.361977 N\n0.820945 0.976234 0.861977 N\n0.535320 0.659354 0.624479 N\n0.964680 0.659354 0.124479 N\n0.464680 0.340646 0.375521 N\n0.035320 0.340646 0.875521 N\n0.397332 0.729613 0.367658 Cl\n0.102668 0.729613 0.867658 Cl\n0.602668 0.270387 0.632342 Cl\n0.897332 0.270387 0.132342 Cl\n0.375709 0.299521 0.880952 Cl\n0.124291 0.299521 0.380952 Cl\n0.624291 0.700479 0.119048 Cl\n0.875709 0.700479 0.619048 Cl\n0.406107 0.005498 0.432960 O\n0.093893 0.005498 0.932960 O\n0.593893 0.994502 0.567040 O\n0.906107 0.994502 0.067040 O\n0.090468 0.924949 0.411307 O\n0.409532 0.924949 0.911307 O\n0.909532 0.075051 0.588693 O\n0.590468 0.075051 0.088693 O\n0.245770 0.394021 0.618981 O\n0.254230 0.394021 0.118981 O\n0.754230 0.605979 0.381019 O\n0.745770 0.605979 0.881019 O\n",
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"formula_full": "Cr4 H68 N16 Cl8 O12",
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{
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{
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{
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"structure_string": "Mg4 Mn4 O12\n1.0\n5.008101 0.000000 0.000000\n0.000000 5.227589 0.000000\n0.000000 0.000000 7.304405\nMg Mn O\n4 4 12\ndirect\n0.017511 0.935144 0.750000 Mg\n0.482489 0.435144 0.750000 Mg\n0.517511 0.564856 0.250000 Mg\n0.982489 0.064856 0.250000 Mg\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.126822 0.443215 0.250000 O\n0.187066 0.192993 0.566404 O\n0.187066 0.192993 0.933596 O\n0.312934 0.692993 0.566404 O\n0.312934 0.692993 0.933596 O\n0.373178 0.943215 0.250000 O\n0.626822 0.056785 0.750000 O\n0.687066 0.307007 0.066404 O\n0.687066 0.307007 0.433596 O\n0.812934 0.807007 0.066404 O\n0.812934 0.807007 0.433596 O\n0.873178 0.556785 0.750000 O\n",
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{
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"structure_string": "Li12 V4 P4 C4 O28\n1.0\n6.616028 0.000000 0.000000\n-0.057071 8.513990 0.000000\n-0.046830 -0.917169 9.952581\nLi V P C O\n12 4 4 4 28\ndirect\n0.740695 0.910045 0.384127 Li\n0.744019 0.902297 0.882836 Li\n0.531472 0.715825 0.122459 Li\n0.971808 0.720537 0.625295 Li\n0.532313 0.718228 0.625333 Li\n0.749308 0.336916 0.105939 Li\n0.480993 0.280427 0.365614 Li\n0.018465 0.280941 0.365322 Li\n0.485915 0.280243 0.887316 Li\n0.010677 0.278268 0.887215 Li\n0.251862 0.106315 0.108085 Li\n0.251370 0.100077 0.615714 Li\n0.987683 0.727180 0.132262 V\n0.251788 0.669578 0.399465 V\n0.254633 0.668100 0.890358 V\n0.750610 0.327908 0.603271 V\n0.750150 0.591013 0.361108 P\n0.749001 0.583038 0.860530 P\n0.249992 0.406821 0.139201 P\n0.250920 0.408732 0.638507 P\n0.246096 0.965097 0.346867 C\n0.247706 0.964109 0.848052 C\n0.747953 0.039453 0.150406 C\n0.750557 0.035122 0.653121 C\n0.252995 0.928011 0.469350 O\n0.747507 0.889444 0.182916 O\n0.246850 0.923096 0.971389 O\n0.238984 0.845972 0.251683 O\n0.751267 0.888676 0.680282 O\n0.248931 0.850598 0.750754 O\n0.934016 0.694586 0.414548 O\n0.568380 0.693112 0.414263 O\n0.934592 0.686550 0.916189 O\n0.570565 0.691019 0.911786 O\n0.249868 0.576116 0.086750 O\n0.753016 0.574014 0.203815 O\n0.252148 0.576375 0.589308 O\n0.754136 0.569380 0.703405 O\n0.250485 0.433571 0.296742 O\n0.749891 0.424859 0.410248 O\n0.251512 0.430019 0.795397 O\n0.746925 0.419693 0.911893 O\n0.062142 0.309123 0.090204 O\n0.436918 0.311631 0.089965 O\n0.432684 0.306965 0.585043 O\n0.067659 0.306518 0.584185 O\n0.744721 0.149209 0.247935 O\n0.248262 0.107364 0.314556 O\n0.751129 0.148541 0.749042 O\n0.750695 0.066653 0.027165 O\n0.248778 0.109507 0.822798 O\n0.748963 0.073129 0.529982 O\n",
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{
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"structure_string": "Mn3 Zn2 As1 O12\n1.0\n0.000000 2.996696 0.000000\n0.583859 0.000000 7.771292\n12.065015 1.498348 -2.441588\nMn Zn As O\n3 2 1 12\ndirect\n0.996624 0.990027 0.006752 Mn\n0.585134 0.785294 0.829732 Mn\n0.412665 0.292159 0.174670 Mn\n0.177917 0.596515 0.644165 Zn\n0.796767 0.447065 0.406467 Zn\n0.386353 0.796850 0.227295 As\n0.400686 0.583885 0.198628 O\n0.623467 0.564849 0.753067 O\n0.732108 0.574503 0.535783 O\n0.257694 0.168856 0.484613 O\n0.032590 0.758976 0.934819 O\n0.961479 0.230240 0.077042 O\n0.128822 0.840742 0.742355 O\n0.860069 0.302652 0.279863 O\n0.540864 0.021092 0.918271 O\n0.434694 0.937010 0.130613 O\n0.845461 0.858447 0.309079 O\n0.208908 0.146138 0.582185 O\n",
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}