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{
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"structure_string": "Ba12 Cl5 F19\n1.0\n7.145826 -12.376934 0.000000\n7.145826 12.376934 0.000000\n0.000000 0.000000 4.329080\nBa Cl F\n12 5 19\ndirect\n0.177686 0.000000 0.000000 Ba\n0.832904 0.307947 0.500000 Ba\n0.000000 0.625860 0.000000 Ba\n0.475043 0.167096 0.500000 Ba\n0.822314 0.822314 0.000000 Ba\n0.307947 0.832904 0.500000 Ba\n0.167096 0.475043 0.500000 Ba\n0.692053 0.524957 0.500000 Ba\n0.000000 0.177686 0.000000 Ba\n0.524957 0.692053 0.500000 Ba\n0.625860 0.000000 0.000000 Ba\n0.374140 0.374140 0.000000 Ba\n0.000000 0.811666 0.500000 Cl\n0.188334 0.188334 0.500000 Cl\n0.811666 0.000000 0.500000 Cl\n0.666667 0.333333 0.000000 Cl\n0.333333 0.666667 0.000000 Cl\n0.182712 0.375572 0.000000 F\n0.511437 0.874297 0.500000 F\n0.807140 0.624428 0.000000 F\n0.439003 0.000000 0.000000 F\n0.000000 0.279450 0.500000 F\n0.560997 0.560997 0.000000 F\n0.817288 0.192860 0.000000 F\n0.362860 0.488563 0.500000 F\n0.720550 0.720550 0.500000 F\n0.000000 0.439003 0.000000 F\n0.874297 0.511437 0.500000 F\n0.375572 0.182712 0.000000 F\n0.192860 0.817288 0.000000 F\n0.624428 0.807140 0.000000 F\n0.637140 0.125703 0.500000 F\n0.279450 0.000000 0.500000 F\n0.488563 0.362860 0.500000 F\n0.125703 0.637140 0.500000 F\n0.000000 0.000000 0.000000 F\n",
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{
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"structure_string": "Lu2 Ge3\n1.0\n-2.163429 -3.771025 0.000000\n-2.163567 3.771103 0.000000\n0.000000 0.000000 -6.848828\nLu Ge\n2 3\ndirect\n0.999949 0.000044 0.020774 Lu\n0.999949 0.000044 0.479226 Lu\n0.333522 0.666545 0.750000 Ge\n0.666749 0.333110 0.250000 Ge\n0.666332 0.333557 0.750000 Ge\n",
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{
"id": "mp-744831",
"created_at": "2022-09-04T14:46:58.539444Z",
"structure_string": "Mn4 H48 C8 N4 Cl12 O8\n1.0\n6.700707 -9.636358 0.000000\n6.700707 9.636358 0.000000\n0.000000 0.000000 11.798537\nMn H C N Cl O\n4 48 8 4 12 8\ndirect\n0.378950 0.378950 0.614379 Mn\n0.621050 0.621050 0.385621 Mn\n0.121050 0.121050 0.114379 Mn\n0.878950 0.878950 0.885621 Mn\n0.817807 0.778445 0.724215 H\n0.221555 0.182193 0.275785 H\n0.721555 0.682193 0.224215 H\n0.317807 0.278445 0.775785 H\n0.182193 0.221555 0.275785 H\n0.778445 0.817807 0.724215 H\n0.278445 0.317807 0.775785 H\n0.682193 0.721555 0.224215 H\n0.508202 0.252129 0.009210 H\n0.747871 0.491798 0.990790 H\n0.247871 0.991798 0.509210 H\n0.008202 0.752129 0.490790 H\n0.491798 0.747871 0.990790 H\n0.252129 0.508202 0.009210 H\n0.752129 0.008202 0.490790 H\n0.991798 0.247871 0.509210 H\n0.598096 0.340067 0.564395 H\n0.659933 0.401904 0.435605 H\n0.159933 0.901904 0.064395 H\n0.098096 0.840067 0.935605 H\n0.401904 0.659933 0.435605 H\n0.340067 0.598096 0.564395 H\n0.840067 0.098096 0.935605 H\n0.901904 0.159933 0.064395 H\n0.307671 0.969953 0.915986 H\n0.030047 0.692329 0.084014 H\n0.530047 0.192329 0.415986 H\n0.807671 0.469953 0.584014 H\n0.692329 0.030047 0.084014 H\n0.969953 0.307671 0.915986 H\n0.469953 0.807671 0.584014 H\n0.192329 0.530047 0.415986 H\n0.293501 0.816079 0.884283 H\n0.183921 0.706499 0.115717 H\n0.683921 0.206499 0.384283 H\n0.793501 0.316079 0.615717 H\n0.706499 0.183921 0.115717 H\n0.816079 0.293501 0.884283 H\n0.316079 0.793501 0.615717 H\n0.206499 0.683921 0.384283 H\n0.618285 0.146839 0.518515 H\n0.853161 0.381715 0.481485 H\n0.353161 0.881715 0.018515 H\n0.118285 0.646839 0.981485 H\n0.381715 0.853161 0.481485 H\n0.146839 0.618285 0.518515 H\n0.646839 0.118285 0.981485 H\n0.881715 0.353161 0.018515 H\n0.287286 0.878793 0.951437 C\n0.121207 0.712714 0.048563 C\n0.621207 0.212714 0.451437 C\n0.787286 0.378793 0.548563 C\n0.712714 0.121207 0.048563 C\n0.878793 0.287286 0.951437 C\n0.378793 0.787286 0.548563 C\n0.212714 0.621207 0.451437 C\n0.662881 0.337119 0.500000 N\n0.162881 0.837119 0.000000 N\n0.337119 0.662881 0.500000 N\n0.837119 0.162881 0.000000 N\n0.146870 0.146870 0.930760 Cl\n0.853130 0.853130 0.069240 Cl\n0.353130 0.353130 0.430760 Cl\n0.646870 0.646870 0.569240 Cl\n0.513254 0.263387 0.900541 Cl\n0.736613 0.486746 0.099459 Cl\n0.236613 0.986746 0.400541 Cl\n0.013254 0.763387 0.599459 Cl\n0.486746 0.736613 0.099459 Cl\n0.263387 0.513254 0.900541 Cl\n0.763387 0.013254 0.599459 Cl\n0.986746 0.236613 0.400541 Cl\n0.170616 0.007178 0.154024 O\n0.992822 0.829384 0.845976 O\n0.492822 0.329384 0.654024 O\n0.670616 0.507178 0.345976 O\n0.829384 0.992822 0.845976 O\n0.007178 0.170616 0.154024 O\n0.507178 0.670616 0.345976 O\n0.329384 0.492822 0.654024 O\n",
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"formula_full": "Mn4 H48 C8 N4 Cl12 O8",
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{
"id": "mp-754462",
"created_at": "2022-09-04T14:46:58.541380Z",
"structure_string": "Sb2 Te4 F12\n1.0\n5.805818 0.000000 0.000000\n1.750990 7.997806 0.000000\n1.921033 2.202531 7.994364\nSb Te F\n2 4 12\ndirect\n0.606973 0.178476 0.662325 Sb\n0.393027 0.821524 0.337675 Sb\n0.928329 0.270005 0.063032 Te\n0.844175 0.556767 0.808388 Te\n0.155825 0.443233 0.191612 Te\n0.071671 0.729995 0.936968 Te\n0.884470 0.290415 0.566287 F\n0.805584 0.956080 0.664909 F\n0.582093 0.603219 0.319013 F\n0.542656 0.207388 0.444434 F\n0.665390 0.935966 0.233695 F\n0.677530 0.156183 0.881482 F\n0.322470 0.843817 0.118518 F\n0.334610 0.064034 0.766305 F\n0.457344 0.792612 0.555566 F\n0.417907 0.396781 0.680987 F\n0.194416 0.043920 0.335091 F\n0.115530 0.709585 0.433713 F\n",
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{
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"structure_string": "Zn2 Mo4 O8\n1.0\n0.000000 4.479478 4.479478\n4.479478 0.000000 4.479478\n4.479478 4.479478 0.000000\nZn Mo O\n2 4 8\ndirect\n0.750000 0.750000 0.750000 Zn\n0.500000 0.500000 0.500000 Zn\n0.125000 0.125000 0.625000 Mo\n0.625000 0.125000 0.125000 Mo\n0.125000 0.125000 0.125000 Mo\n0.125000 0.625000 0.125000 Mo\n0.896071 0.367976 0.367976 O\n0.367976 0.367976 0.896071 O\n0.367976 0.367976 0.367976 O\n0.353929 0.882024 0.882024 O\n0.882024 0.353929 0.882024 O\n0.882024 0.882024 0.353929 O\n0.367976 0.896071 0.367976 O\n0.882024 0.882024 0.882024 O\n",
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{
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}