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{
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"structure_string": "Ti1 Mn3 Te2 P6 O24\n1.0\n7.705793 -4.434060 0.000000\n7.705793 4.434060 0.000000\n5.154351 0.000000 7.243811\nTi Mn Te P O\n1 3 2 6 24\ndirect\n0.146788 0.146788 0.146788 Ti\n0.837518 0.837518 0.837518 Mn\n0.651068 0.651068 0.651068 Mn\n0.343970 0.343970 0.343970 Mn\n0.981334 0.981334 0.981334 Te\n0.488801 0.488801 0.488801 Te\n0.543654 0.955689 0.251615 P\n0.251615 0.543654 0.955689 P\n0.955689 0.251615 0.543654 P\n0.056944 0.755941 0.446493 P\n0.755941 0.446493 0.056944 P\n0.446493 0.056944 0.755941 P\n0.472066 0.908339 0.700368 O\n0.908339 0.700368 0.472066 O\n0.745065 0.935646 0.081596 O\n0.700368 0.472066 0.908339 O\n0.559962 0.760223 0.394859 O\n0.392516 0.020846 0.172239 O\n0.081596 0.745065 0.935646 O\n0.394859 0.559962 0.760223 O\n0.760223 0.394859 0.559962 O\n0.032477 0.802989 0.599490 O\n0.089422 0.915579 0.254517 O\n0.802989 0.599490 0.032477 O\n0.172239 0.392516 0.020846 O\n0.935646 0.081596 0.745065 O\n0.020846 0.172239 0.392516 O\n0.256458 0.592277 0.419922 O\n0.592277 0.419922 0.256458 O\n0.915579 0.254517 0.089422 O\n0.599490 0.032477 0.802989 O\n0.419922 0.256458 0.592277 O\n0.314732 0.524830 0.093765 O\n0.254517 0.089422 0.915579 O\n0.093765 0.314732 0.524830 O\n0.524830 0.093765 0.314732 O\n",
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{
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"structure_string": "Fe9 P1 O12\n1.0\n3.003887 -13.306345 0.000000\n3.003887 13.306345 0.000000\n0.000000 0.000000 3.104321\nFe P O\n9 1 12\ndirect\n0.504002 0.495998 0.000000 Fe\n0.672776 0.327224 0.000000 Fe\n0.323820 0.676180 0.000000 Fe\n0.844160 0.667704 0.500000 Fe\n0.159728 0.330489 0.500000 Fe\n0.669511 0.840272 0.500000 Fe\n0.332296 0.155840 0.500000 Fe\n0.999936 0.000064 0.000000 Fe\n0.206466 0.793534 0.500000 Fe\n0.796761 0.203239 0.500000 P\n0.905137 0.570430 0.500000 O\n0.045826 0.387645 0.500000 O\n0.612355 0.954174 0.500000 O\n0.429570 0.094863 0.500000 O\n0.741284 0.745402 0.500000 O\n0.254598 0.258716 0.500000 O\n0.401953 0.598047 0.000000 O\n0.585856 0.414144 0.000000 O\n0.923188 0.076812 0.000000 O\n0.074742 0.925258 0.000000 O\n0.767073 0.232927 0.000000 O\n0.248963 0.751037 0.000000 O\n",
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"formula_full": "Fe9 P1 O12",
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{
"id": "mp-699482",
"created_at": "2022-09-04T14:40:16.172908Z",
"structure_string": "Na4 H40 C2 O26\n1.0\n4.453496 6.392407 0.000000\n-4.453496 6.392407 0.000000\n0.000000 5.498758 11.343102\nNa H C O\n4 40 2 26\ndirect\n0.834064 0.897921 0.627855 Na\n0.897921 0.834064 0.127855 Na\n0.166601 0.096949 0.374067 Na\n0.096949 0.166601 0.874067 Na\n0.429572 0.937790 0.180347 H\n0.937790 0.429572 0.680347 H\n0.379681 0.162770 0.128520 H\n0.162770 0.379681 0.628520 H\n0.619438 0.846432 0.879120 H\n0.846432 0.619438 0.379120 H\n0.568214 0.067527 0.812352 H\n0.067527 0.568214 0.312352 H\n0.849895 0.303383 0.520477 H\n0.303383 0.849895 0.020477 H\n0.992581 0.213612 0.597686 H\n0.213612 0.992581 0.097686 H\n0.023183 0.769163 0.401898 H\n0.769163 0.023183 0.901898 H\n0.168047 0.701166 0.478629 H\n0.701166 0.168047 0.978629 H\n0.363994 0.405159 0.349103 H\n0.405159 0.363994 0.849103 H\n0.366726 0.388295 0.227213 H\n0.388295 0.366726 0.727213 H\n0.681626 0.596511 0.617200 H\n0.596511 0.681626 0.117200 H\n0.634099 0.587866 0.752637 H\n0.587866 0.634099 0.252637 H\n0.204542 0.664334 0.659542 H\n0.664334 0.204542 0.159542 H\n0.149463 0.808236 0.736351 H\n0.808236 0.149463 0.236351 H\n0.775801 0.342131 0.328241 H\n0.342131 0.775801 0.828241 H\n0.956667 0.363409 0.217302 H\n0.363409 0.956667 0.717302 H\n0.542546 0.811651 0.439709 H\n0.811651 0.542546 0.939709 H\n0.570187 0.003917 0.340949 H\n0.003917 0.570187 0.840949 H\n0.483840 0.193406 0.563445 H\n0.193406 0.483840 0.063445 H\n0.511830 0.015313 0.522210 H\n0.015313 0.511831 0.022210 H\n0.514621 0.502695 0.485584 C\n0.502695 0.514621 0.985584 C\n0.322160 0.054837 0.176278 O\n0.054837 0.322160 0.676278 O\n0.675444 0.952829 0.822522 O\n0.952829 0.675444 0.322522 O\n0.939792 0.183796 0.547031 O\n0.183796 0.939792 0.047031 O\n0.068731 0.809737 0.451794 O\n0.809737 0.068731 0.951794 O\n0.285978 0.386699 0.308507 O\n0.386699 0.285978 0.808507 O\n0.730938 0.609678 0.675868 O\n0.609678 0.730938 0.175868 O\n0.096331 0.731892 0.712383 O\n0.731892 0.096331 0.212383 O\n0.899256 0.269499 0.287088 O\n0.269499 0.899256 0.787088 O\n0.484005 0.949677 0.417733 O\n0.949677 0.484005 0.917733 O\n0.525029 0.054367 0.586213 O\n0.054367 0.525029 0.086213 O\n0.648616 0.557583 0.494107 O\n0.557583 0.648616 0.994107 O\n0.535740 0.456495 0.391768 O\n0.456495 0.535740 0.891768 O\n0.360014 0.493039 0.571998 O\n0.493039 0.360014 0.071998 O\n",
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"volume": 645.8435371705632,
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"formula_full": "Na4 H40 C2 O26",
"formula_reduced": "Na2H20CO13",
"formula_anonymous": "AB2C13D20",
"energy": -388.90421541,
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},
{
"id": "mp-1079335",
"created_at": "2022-09-04T14:40:17.854927Z",
"structure_string": "Er2 Ni4 B4\n1.0\n2.606936 4.188459 0.000000\n-2.606936 4.188459 0.000000\n0.000000 4.136180 5.501000\nEr Ni B\n2 4 4\ndirect\n0.118398 0.881602 0.750000 Er\n0.881602 0.118398 0.250000 Er\n0.466280 0.277532 0.700193 Ni\n0.722468 0.533720 0.799807 Ni\n0.533720 0.722468 0.299807 Ni\n0.277532 0.466280 0.200193 Ni\n0.156094 0.503833 0.522396 B\n0.496167 0.843906 0.977604 B\n0.843906 0.496167 0.477604 B\n0.503833 0.156094 0.022396 B\n",
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{
"id": "mp-1325293",
"created_at": "2022-09-04T14:40:16.128566Z",
"structure_string": "Mg12 Ge12 Sb8 O48\n1.0\n-6.323432 6.323432 6.323432\n6.323432 -6.323432 6.323432\n6.323432 6.323432 -6.323432\nMg Ge Sb O\n12 12 8 48\ndirect\n0.250000 0.875000 0.625000 Mg\n0.750000 0.625000 0.875000 Mg\n0.625000 0.875000 0.750000 Mg\n0.875000 0.625000 0.250000 Mg\n0.625000 0.250000 0.875000 Mg\n0.875000 0.750000 0.625000 Mg\n0.750000 0.125000 0.375000 Mg\n0.250000 0.375000 0.125000 Mg\n0.375000 0.125000 0.250000 Mg\n0.125000 0.375000 0.750000 Mg\n0.375000 0.750000 0.125000 Mg\n0.125000 0.250000 0.375000 Mg\n0.125000 0.750000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.625000 0.375000 0.250000 Ge\n0.750000 0.875000 0.125000 Ge\n0.875000 0.125000 0.750000 Ge\n0.250000 0.625000 0.375000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.125000 0.875000 Ge\n0.125000 0.875000 0.250000 Ge\n0.375000 0.625000 0.750000 Ge\n0.625000 0.750000 0.375000 Ge\n0.375000 0.250000 0.625000 Ge\n0.500000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.500000 0.000000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.408035 0.805484 0.773982 O\n0.865946 0.397449 0.091964 O\n0.102551 0.968497 0.694516 O\n0.531503 0.634054 0.726018 O\n0.694516 0.091964 0.726018 O\n0.634054 0.726018 0.531503 O\n0.634054 0.408035 0.102551 O\n0.726018 0.531503 0.634054 O\n0.805484 0.531503 0.397449 O\n0.968497 0.773982 0.865946 O\n0.773982 0.865946 0.968497 O\n0.726018 0.694516 0.091965 O\n0.408035 0.102551 0.634054 O\n0.397449 0.805484 0.531503 O\n0.091965 0.726018 0.694516 O\n0.102551 0.634054 0.408035 O\n0.531503 0.397449 0.805484 O\n0.091964 0.865946 0.397449 O\n0.968497 0.694516 0.102551 O\n0.194516 0.468497 0.602551 O\n0.694516 0.102551 0.968497 O\n0.773982 0.408035 0.805484 O\n0.397449 0.091964 0.865946 O\n0.865946 0.968497 0.773982 O\n0.591964 0.194516 0.226018 O\n0.134054 0.602551 0.908035 O\n0.897449 0.031503 0.305484 O\n0.468497 0.365946 0.273982 O\n0.305484 0.908035 0.273982 O\n0.365946 0.273982 0.468497 O\n0.365946 0.591964 0.897449 O\n0.273982 0.468497 0.365946 O\n0.134054 0.031503 0.226018 O\n0.602551 0.908035 0.134054 O\n0.226018 0.591964 0.194516 O\n0.194516 0.226018 0.591965 O\n0.305484 0.897449 0.031503 O\n0.031503 0.305484 0.897449 O\n0.908035 0.134054 0.602551 O\n0.468497 0.602551 0.194516 O\n0.897449 0.365946 0.591965 O\n0.908035 0.273982 0.305484 O\n0.602551 0.194516 0.468497 O\n0.591964 0.897449 0.365946 O\n0.273982 0.305484 0.908035 O\n0.226018 0.134054 0.031503 O\n0.031503 0.226018 0.134054 O\n0.805484 0.773982 0.408035 O\n",
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"formula_full": "Mg12 Ge12 Sb8 O48",
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{
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"structure_string": "Rb4 W6 Se2 O24\n1.0\n3.686369 -6.384978 0.000000\n3.686369 6.384978 0.000000\n0.000000 0.000000 12.512031\nRb W Se O\n4 6 2 24\ndirect\n0.666667 0.333333 0.546967 Rb\n0.333333 0.666667 0.046967 Rb\n0.666667 0.333333 0.932455 Rb\n0.333333 0.666667 0.432455 Rb\n0.661295 0.827370 0.763863 W\n0.166074 0.338705 0.763863 W\n0.338705 0.172630 0.263863 W\n0.172630 0.833926 0.763863 W\n0.833926 0.661295 0.263863 W\n0.827370 0.166074 0.263863 W\n0.000000 0.000000 0.991541 Se\n0.000000 0.000000 0.491541 Se\n0.751924 0.872628 0.932834 O\n0.120704 0.248076 0.932834 O\n0.248076 0.127372 0.432834 O\n0.127372 0.879296 0.932834 O\n0.879296 0.751924 0.432834 O\n0.872628 0.120704 0.432834 O\n0.454267 0.542221 0.808492 O\n0.087954 0.545733 0.808492 O\n0.545733 0.457779 0.308492 O\n0.457779 0.912046 0.808492 O\n0.912046 0.454267 0.308492 O\n0.542221 0.087954 0.308492 O\n0.598447 0.791873 0.626370 O\n0.193426 0.401553 0.626370 O\n0.401553 0.208127 0.126370 O\n0.208127 0.806574 0.626370 O\n0.806574 0.598447 0.126370 O\n0.791873 0.193426 0.126370 O\n0.872620 0.123091 0.752754 O\n0.250472 0.127380 0.752754 O\n0.127380 0.876909 0.252754 O\n0.876909 0.749528 0.752754 O\n0.749528 0.872620 0.252754 O\n0.123091 0.250472 0.252754 O\n",
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{
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"structure_string": "Tb22 In12 Si8\n1.0\n-5.781712 5.781712 8.136129\n5.781712 -5.781712 8.136129\n5.781712 5.781712 -8.136129\nTb In Si\n22 12 8\ndirect\n0.684621 0.934760 0.250138 Tb\n0.684621 0.434483 0.749862 Tb\n0.934760 0.684621 0.250138 Tb\n0.434483 0.684621 0.749862 Tb\n0.315379 0.065240 0.749862 Tb\n0.315379 0.565517 0.250138 Tb\n0.065240 0.315379 0.749862 Tb\n0.565517 0.315379 0.250138 Tb\n0.899234 0.246526 0.347292 Tb\n0.899234 0.551941 0.652708 Tb\n0.246526 0.899234 0.347292 Tb\n0.551941 0.899234 0.652708 Tb\n0.100766 0.753474 0.652708 Tb\n0.100766 0.448059 0.347292 Tb\n0.753474 0.100766 0.652708 Tb\n0.448059 0.100766 0.347292 Tb\n0.332743 0.332743 0.665485 Tb\n0.667257 0.667257 0.334515 Tb\n0.332743 0.667257 0.000000 Tb\n0.667257 0.332743 0.000000 Tb\n0.832008 0.832008 0.000000 Tb\n0.167992 0.167992 0.000000 Tb\n0.033773 0.033773 0.410593 In\n0.623180 0.623180 0.589407 In\n0.033773 0.623180 0.000000 In\n0.623180 0.033773 0.000000 In\n0.966227 0.966227 0.589407 In\n0.376820 0.376820 0.410593 In\n0.966227 0.376820 0.000000 In\n0.376820 0.966227 0.000000 In\n0.129290 0.129290 0.258580 In\n0.870710 0.870710 0.741420 In\n0.129290 0.870710 0.000000 In\n0.870710 0.129290 0.000000 In\n0.153610 0.500000 0.653610 Si\n0.846390 0.500000 0.346390 Si\n0.500000 0.846390 0.346390 Si\n0.500000 0.153610 0.653610 Si\n0.617054 0.617054 0.000000 Si\n0.382946 0.382946 0.000000 Si\n0.750000 0.250000 0.500000 Si\n0.250000 0.750000 0.500000 Si\n",
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