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{
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{
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"structure_string": "Co2 P4 H30 N10 O16\n1.0\n4.798662 5.720808 0.000000\n-4.798662 5.720808 0.000000\n0.000000 3.527688 12.519425\nCo P H N O\n2 4 30 10 16\ndirect\n0.570248 0.018335 0.738052 Co\n0.018335 0.570248 0.238052 Co\n0.087354 0.555181 0.854299 P\n0.555181 0.087354 0.354299 P\n0.690665 0.665938 0.915718 P\n0.665938 0.690665 0.415718 P\n0.922150 0.880386 0.891518 H\n0.880386 0.922150 0.391518 H\n0.480277 0.906470 0.574045 H\n0.906470 0.480277 0.074045 H\n0.317639 0.843991 0.684142 H\n0.843991 0.317639 0.184142 H\n0.559270 0.316907 0.594401 H\n0.316907 0.559270 0.094401 H\n0.662643 0.344799 0.688919 H\n0.344799 0.662643 0.188919 H\n0.434740 0.362303 0.710625 H\n0.362303 0.434740 0.210625 H\n0.708284 0.126259 0.920431 H\n0.126259 0.708284 0.420431 H\n0.153715 0.327145 0.643196 H\n0.327145 0.153715 0.143196 H\n0.697056 0.230141 0.913233 H\n0.230141 0.697056 0.413233 H\n0.403824 0.018878 0.926396 H\n0.018878 0.403824 0.426396 H\n0.254065 0.995379 0.852787 H\n0.995379 0.254065 0.352787 H\n0.308884 0.203401 0.847831 H\n0.203401 0.308884 0.347831 H\n0.780555 0.935384 0.570409 H\n0.935384 0.780555 0.070409 H\n0.869741 0.097498 0.609451 H\n0.097498 0.869741 0.109451 H\n0.890197 0.881264 0.674729 H\n0.881264 0.890197 0.174729 H\n0.432415 0.910759 0.653549 N\n0.910759 0.432415 0.153549 N\n0.555243 0.287711 0.676471 N\n0.287712 0.555243 0.176471 N\n0.283219 0.062712 0.105230 N\n0.062712 0.283219 0.605230 N\n0.362425 0.064683 0.853973 N\n0.064683 0.362425 0.353973 N\n0.803791 0.982143 0.635192 N\n0.982143 0.803791 0.135192 N\n0.197516 0.432415 0.778233 O\n0.432415 0.197516 0.278233 O\n0.137810 0.555296 0.958894 O\n0.555296 0.137810 0.458894 O\n0.089619 0.765003 0.775953 O\n0.765003 0.089619 0.275953 O\n0.872882 0.523138 0.869896 O\n0.523138 0.872882 0.369896 O\n0.637503 0.779848 0.807534 O\n0.779848 0.637503 0.307534 O\n0.550193 0.548489 0.979303 O\n0.548489 0.550193 0.479303 O\n0.763242 0.794491 0.970746 O\n0.794491 0.763242 0.470746 O\n0.923075 0.033615 0.334242 O\n0.033615 0.923075 0.834242 O\n",
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"formula_full": "Co2 P4 H30 N10 O16",
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{
"id": "mp-1221745",
"created_at": "2022-09-04T14:42:24.439567Z",
"structure_string": "Pr2 Te1 Mo6 O46\n1.0\n8.936407 0.000000 0.000000\n3.233822 9.294278 0.000000\n1.235124 2.513817 11.666404\nPr Te Mo O\n2 1 6 46\ndirect\n0.752567 0.247530 0.666585 Pr\n0.247433 0.752470 0.333415 Pr\n0.500000 0.000000 0.500000 Te\n0.594563 0.092083 0.208863 Mo\n0.405437 0.907917 0.791137 Mo\n0.742614 0.669511 0.672635 Mo\n0.257386 0.330489 0.327365 Mo\n0.798015 0.773604 0.383195 Mo\n0.201985 0.226396 0.616805 Mo\n0.875669 0.199455 0.372883 O\n0.124331 0.800545 0.627117 O\n0.481415 0.105987 0.096476 O\n0.518585 0.894013 0.903524 O\n0.325649 0.977590 0.600721 O\n0.674351 0.022410 0.399279 O\n0.751159 0.486197 0.664580 O\n0.248841 0.513803 0.335420 O\n0.719341 0.040057 0.651767 O\n0.280659 0.959943 0.348233 O\n0.824737 0.207228 0.924908 O\n0.175263 0.792772 0.075092 O\n0.867946 0.727506 0.545031 O\n0.132054 0.272494 0.454969 O\n0.981913 0.812572 0.331263 O\n0.018087 0.187428 0.668737 O\n0.420194 0.441771 0.816945 O\n0.579806 0.558229 0.183055 O\n0.859641 0.649212 0.783662 O\n0.140359 0.350788 0.216338 O\n0.498466 0.447420 0.539617 O\n0.501534 0.552580 0.460383 O\n0.797128 0.282019 0.435252 O\n0.202872 0.717981 0.564748 O\n0.525718 0.307680 0.814809 O\n0.474282 0.692320 0.185191 O\n0.760417 0.137710 0.149137 O\n0.239583 0.862290 0.850863 O\n0.634996 0.943124 0.648616 O\n0.365004 0.056876 0.351384 O\n0.672163 0.873802 0.252206 O\n0.327837 0.126198 0.747794 O\n0.418739 0.206938 0.507403 O\n0.581261 0.793062 0.492597 O\n0.824269 0.596479 0.370715 O\n0.175731 0.403521 0.629285 O\n0.831577 0.095490 0.890948 O\n0.168423 0.904510 0.109052 O\n0.467055 0.269434 0.263568 O\n0.532945 0.730566 0.736432 O\n0.652330 0.544000 0.088275 O\n0.347670 0.456000 0.911725 O\n0.848125 0.772352 0.012637 O\n0.151875 0.227648 0.987363 O\n0.877065 0.645105 0.064962 O\n0.122935 0.354895 0.935038 O\n",
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{
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"structure_string": "Rb1 P4 W8 O32\n1.0\n3.865009 8.766241 0.000000\n-3.865009 8.766241 0.000000\n0.000000 4.128991 9.602323\nRb P W O\n1 4 8 32\ndirect\n0.500000 0.500000 0.000000 Rb\n0.621425 0.023419 0.116341 P\n0.378575 0.976581 0.883659 P\n0.976581 0.378575 0.883659 P\n0.023419 0.621425 0.116341 P\n0.618182 0.119603 0.411054 W\n0.381818 0.880397 0.588946 W\n0.880397 0.381818 0.588946 W\n0.119603 0.618182 0.411054 W\n0.357609 0.859368 0.240467 W\n0.642391 0.140632 0.759533 W\n0.140632 0.642391 0.759533 W\n0.859368 0.357609 0.240467 W\n0.609628 0.120070 0.212520 O\n0.390372 0.879930 0.787480 O\n0.879930 0.390372 0.787480 O\n0.120070 0.609628 0.212520 O\n0.804251 0.804251 0.134316 O\n0.195749 0.195749 0.865684 O\n0.456163 0.018276 0.152318 O\n0.543837 0.981724 0.847682 O\n0.981724 0.543837 0.847682 O\n0.018276 0.456163 0.152318 O\n0.622489 0.622489 0.219141 O\n0.377511 0.377511 0.780859 O\n0.630254 0.630254 0.600038 O\n0.369746 0.369746 0.399962 O\n0.891450 0.891450 0.760218 O\n0.108550 0.108550 0.239782 O\n0.369760 0.861114 0.417996 O\n0.630240 0.138886 0.582004 O\n0.138886 0.630240 0.582004 O\n0.861114 0.369760 0.417996 O\n0.357944 0.877117 0.033364 O\n0.642056 0.122883 0.966636 O\n0.122883 0.642056 0.966636 O\n0.877117 0.357944 0.033364 O\n0.733736 0.254967 0.304140 O\n0.266264 0.745033 0.695860 O\n0.745033 0.266264 0.695860 O\n0.254967 0.733736 0.304140 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.873168 0.873168 0.398951 O\n0.126832 0.126832 0.601049 O\n",
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{
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{
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"structure_string": "Ba4 Ce6 Si6 O24 F2\n1.0\n4.970525 -8.609202 0.000000\n4.970525 8.609202 0.000000\n0.000000 0.000000 7.449739\nBa Ce Si O F\n4 6 6 24 2\ndirect\n0.333333 0.666667 0.505319 Ba\n0.333333 0.666667 0.001036 Ba\n0.666667 0.333333 0.005319 Ba\n0.666667 0.333333 0.501036 Ba\n0.251175 0.997117 0.253591 Ce\n0.002883 0.254058 0.253591 Ce\n0.254058 0.251175 0.753591 Ce\n0.745942 0.748825 0.253591 Ce\n0.997117 0.745942 0.753591 Ce\n0.748825 0.002883 0.753591 Ce\n0.018264 0.378809 0.753330 Si\n0.360545 0.981736 0.753330 Si\n0.378809 0.360545 0.253330 Si\n0.621191 0.639455 0.753330 Si\n0.639455 0.018264 0.253330 Si\n0.981736 0.621191 0.253330 Si\n0.242229 0.909955 0.928460 O\n0.241356 0.911516 0.578564 O\n0.171305 0.718476 0.253855 O\n0.085777 0.568315 0.752143 O\n0.088484 0.329839 0.578564 O\n0.090045 0.332275 0.928460 O\n0.482539 0.914223 0.752143 O\n0.547171 0.828695 0.253855 O\n0.281524 0.452829 0.253855 O\n0.431685 0.517461 0.752143 O\n0.332275 0.242229 0.428460 O\n0.329839 0.241356 0.078564 O\n0.670161 0.758644 0.578564 O\n0.667725 0.757771 0.928460 O\n0.568315 0.482539 0.252143 O\n0.718476 0.547171 0.753855 O\n0.452829 0.171305 0.753855 O\n0.517461 0.085777 0.252143 O\n0.911516 0.670161 0.078564 O\n0.909955 0.667725 0.428460 O\n0.914223 0.431685 0.252143 O\n0.828695 0.281524 0.753855 O\n0.757771 0.090045 0.428460 O\n0.758644 0.088484 0.078564 O\n0.000000 0.000000 0.761818 F\n0.000000 0.000000 0.261818 F\n",
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{
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