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{
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{
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{
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{
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"structure_string": "Ba4 P8 Pd4 O28\n1.0\n6.271060 0.000000 0.000000\n0.000000 7.613880 0.000000\n0.000000 0.000000 14.019339\nBa P Pd O\n4 8 4 28\ndirect\n0.250000 0.746901 0.239160 Ba\n0.750000 0.253099 0.760840 Ba\n0.750000 0.246901 0.260840 Ba\n0.250000 0.753099 0.739160 Ba\n0.250000 0.277815 0.118717 P\n0.750000 0.722185 0.881283 P\n0.750000 0.777815 0.381283 P\n0.250000 0.222185 0.618717 P\n0.250000 0.182543 0.415206 P\n0.750000 0.817457 0.584794 P\n0.750000 0.682543 0.084794 P\n0.250000 0.317457 0.915206 P\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.250000 0.036549 0.343535 O\n0.750000 0.963451 0.656465 O\n0.750000 0.536549 0.156465 O\n0.250000 0.463451 0.843535 O\n0.250000 0.398952 0.023091 O\n0.750000 0.601048 0.976909 O\n0.750000 0.898952 0.476909 O\n0.250000 0.101048 0.523091 O\n0.250000 0.397317 0.204343 O\n0.750000 0.602683 0.795657 O\n0.750000 0.897317 0.295657 O\n0.250000 0.102683 0.704343 O\n0.042813 0.294595 0.408029 O\n0.957187 0.705405 0.591971 O\n0.957187 0.794595 0.091971 O\n0.542813 0.705405 0.591971 O\n0.042813 0.205405 0.908029 O\n0.457187 0.294595 0.408029 O\n0.457187 0.205405 0.908029 O\n0.542813 0.794595 0.091971 O\n0.044767 0.162440 0.115695 O\n0.955233 0.837560 0.884305 O\n0.955233 0.662440 0.384305 O\n0.544767 0.837560 0.884305 O\n0.044767 0.337560 0.615695 O\n0.455233 0.162440 0.115695 O\n0.455233 0.337560 0.615695 O\n0.544767 0.662440 0.384305 O\n",
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{
"id": "mp-1198791",
"created_at": "2022-09-04T14:45:29.223775Z",
"structure_string": "Sb8 Te12 W4 C16 O16 F48\n1.0\n8.735915 0.000000 0.000000\n0.000000 15.167585 0.000000\n0.000000 0.000000 15.770287\nSb Te W C O F\n8 12 4 16 16 48\ndirect\n0.250000 0.555239 0.344093 Sb\n0.250000 0.944761 0.844093 Sb\n0.750000 0.444761 0.655907 Sb\n0.750000 0.055239 0.155907 Sb\n0.250000 0.245713 0.037565 Sb\n0.250000 0.254287 0.537565 Sb\n0.750000 0.754287 0.962435 Sb\n0.750000 0.745713 0.462435 Sb\n0.250000 0.555216 0.631429 Te\n0.250000 0.944784 0.131429 Te\n0.750000 0.444784 0.368571 Te\n0.750000 0.055216 0.868571 Te\n0.090923 0.686473 0.717366 Te\n0.409077 0.813527 0.217366 Te\n0.590923 0.313527 0.282634 Te\n0.909077 0.186473 0.782634 Te\n0.909077 0.313527 0.282634 Te\n0.590923 0.186473 0.782634 Te\n0.409077 0.686473 0.717366 Te\n0.090923 0.813527 0.217366 Te\n0.250000 0.555523 0.814812 W\n0.250000 0.944477 0.314812 W\n0.750000 0.444477 0.185188 W\n0.750000 0.055523 0.685188 W\n0.250000 0.421618 0.800418 C\n0.250000 0.078382 0.300418 C\n0.750000 0.578382 0.199582 C\n0.750000 0.921618 0.699582 C\n0.250000 0.621981 0.929570 C\n0.250000 0.878019 0.429570 C\n0.750000 0.378019 0.070430 C\n0.750000 0.121981 0.570430 C\n0.049708 0.515069 0.870264 C\n0.450292 0.984931 0.370264 C\n0.549708 0.484931 0.129736 C\n0.950292 0.015069 0.629736 C\n0.950292 0.484931 0.129736 C\n0.549708 0.015069 0.629736 C\n0.450292 0.515069 0.870264 C\n0.049708 0.984931 0.370264 C\n0.250000 0.346046 0.791220 O\n0.250000 0.153954 0.291220 O\n0.750000 0.653954 0.208780 O\n0.750000 0.846046 0.708780 O\n0.250000 0.659343 0.993071 O\n0.250000 0.840657 0.493071 O\n0.750000 0.340657 0.006929 O\n0.750000 0.159343 0.506929 O\n0.937776 0.492653 0.902401 O\n0.562224 0.007347 0.402401 O\n0.437776 0.507347 0.097599 O\n0.062224 0.992653 0.597599 O\n0.062224 0.507347 0.097599 O\n0.437776 0.992653 0.597599 O\n0.562224 0.492653 0.902401 O\n0.937776 0.007347 0.402401 O\n0.250000 0.445991 0.281428 F\n0.250000 0.054009 0.781428 F\n0.750000 0.554009 0.718572 F\n0.750000 0.945991 0.218572 F\n0.250000 0.664216 0.404943 F\n0.250000 0.835784 0.904943 F\n0.750000 0.335784 0.595057 F\n0.750000 0.164216 0.095057 F\n0.404913 0.601888 0.269461 F\n0.095087 0.898112 0.769461 F\n0.904913 0.398112 0.730539 F\n0.595087 0.101888 0.230539 F\n0.595087 0.398112 0.730539 F\n0.904913 0.101888 0.230539 F\n0.095087 0.601888 0.269461 F\n0.404913 0.898112 0.769461 F\n0.407465 0.508527 0.416288 F\n0.092535 0.991473 0.916288 F\n0.907465 0.491473 0.583712 F\n0.592535 0.008527 0.083712 F\n0.592535 0.491473 0.583712 F\n0.907465 0.008527 0.083712 F\n0.092535 0.508527 0.416288 F\n0.407465 0.991473 0.916288 F\n0.250000 0.128472 0.085682 F\n0.250000 0.371528 0.585682 F\n0.750000 0.871528 0.914318 F\n0.750000 0.628472 0.414318 F\n0.250000 0.362618 0.991390 F\n0.250000 0.137382 0.491390 F\n0.750000 0.637382 0.008610 F\n0.750000 0.862618 0.508610 F\n0.404849 0.280410 0.118379 F\n0.095151 0.219590 0.618379 F\n0.904849 0.719590 0.881621 F\n0.595151 0.780410 0.381621 F\n0.595151 0.719590 0.881621 F\n0.904849 0.780410 0.381621 F\n0.095151 0.280410 0.118379 F\n0.404849 0.219590 0.618379 F\n0.094493 0.211962 0.957914 F\n0.405507 0.288038 0.457914 F\n0.594493 0.788038 0.042086 F\n0.905507 0.711962 0.542086 F\n0.905507 0.788038 0.042086 F\n0.594493 0.711962 0.542086 F\n0.405507 0.211962 0.957914 F\n0.094493 0.288038 0.457914 F\n",
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"formula_full": "Sb8 Te12 W4 C16 O16 F48",
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{
"id": "mp-1209177",
"created_at": "2022-09-04T14:45:23.687954Z",
"structure_string": "Rb4 Tl12 O20\n1.0\n0.000000 -3.492122 0.000000\n-9.987221 0.000000 0.000000\n0.000000 0.000000 -17.774951\nRb Tl O\n4 12 20\ndirect\n0.750000 0.500551 0.381885 Rb\n0.250000 0.499449 0.618115 Rb\n0.250000 0.999449 0.881885 Rb\n0.750000 0.000551 0.118115 Rb\n0.750000 0.843385 0.304307 Tl\n0.250000 0.156615 0.695693 Tl\n0.250000 0.656615 0.804307 Tl\n0.750000 0.343385 0.195693 Tl\n0.750000 0.653753 0.977775 Tl\n0.250000 0.346247 0.022225 Tl\n0.250000 0.846247 0.477775 Tl\n0.750000 0.153753 0.522225 Tl\n0.750000 0.859958 0.647156 Tl\n0.250000 0.140042 0.352844 Tl\n0.250000 0.640042 0.147156 Tl\n0.750000 0.359958 0.852844 Tl\n0.750000 0.997054 0.424230 O\n0.250000 0.002946 0.575770 O\n0.250000 0.502946 0.924230 O\n0.750000 0.497054 0.075770 O\n0.750000 0.742029 0.536304 O\n0.250000 0.257971 0.463696 O\n0.250000 0.757971 0.036304 O\n0.750000 0.242029 0.963696 O\n0.750000 0.753392 0.189928 O\n0.250000 0.246608 0.810072 O\n0.250000 0.746608 0.689928 O\n0.750000 0.253392 0.310072 O\n0.750000 0.761723 0.868263 O\n0.250000 0.238277 0.131737 O\n0.250000 0.738277 0.368263 O\n0.750000 0.261723 0.631737 O\n0.750000 0.523063 0.768559 O\n0.250000 0.476937 0.231441 O\n0.250000 0.976937 0.268559 O\n0.750000 0.023063 0.731441 O\n",
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{
"id": "mp-556872",
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"structure_string": "Rb4 C4 O8\n1.0\n3.692466 0.000000 0.000000\n0.000000 6.403924 0.000000\n0.000000 0.000000 11.484151\nRb C O\n4 4 8\ndirect\n0.500000 0.094489 0.151896 Rb\n0.500000 0.405511 0.651896 Rb\n0.500000 0.905511 0.848104 Rb\n0.500000 0.594489 0.348104 Rb\n0.000000 0.067239 0.441564 C\n0.000000 0.567239 0.058436 C\n0.000000 0.932761 0.558436 C\n0.000000 0.432761 0.941564 C\n0.000000 0.466428 0.153895 O\n0.000000 0.264380 0.452332 O\n0.000000 0.235620 0.952332 O\n0.000000 0.966428 0.346105 O\n0.000000 0.033572 0.653895 O\n0.000000 0.533572 0.846105 O\n0.000000 0.735620 0.547668 O\n0.000000 0.764380 0.047668 O\n",
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"formula_full": "Rb4 C4 O8",
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{
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"structure_string": "Mg1 Cd1 S2\n1.0\n3.807676 0.000000 0.000000\n0.000000 3.807676 0.000000\n0.000000 0.000000 5.385704\nMg Cd S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
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{
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"structure_string": "Sr1 Sb2 O6\n1.0\n2.676757 -4.636279 0.000000\n2.676757 4.636279 0.000000\n0.000000 0.000000 5.463474\nSr Sb O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333333 0.666667 0.500000 Sb\n0.666667 0.333333 0.500000 Sb\n0.377194 0.377194 0.706086 O\n0.622806 0.000000 0.706086 O\n0.000000 0.622806 0.706086 O\n0.377194 0.000000 0.293914 O\n0.000000 0.377194 0.293914 O\n0.622806 0.622806 0.293914 O\n",
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{
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"structure_string": "Li1 Mg5\n1.0\n2.735181 -4.737472 0.000000\n2.735181 4.737472 0.000000\n0.000000 0.000000 5.133449\nLi Mg\n1 5\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.667788 0.000000 Mg\n0.667788 0.000000 0.000000 Mg\n0.332212 0.332212 0.000000 Mg\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666667 0.500000 Mg\n",
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