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{
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"structure_string": "Sr6 Co4 O12\n1.0\n-4.793440 2.762268 3.618461\n-0.003344 -5.604697 3.675220\n4.848975 2.798653 3.664745\nSr Co O\n6 4 12\ndirect\n0.885852 0.250962 0.616205 Sr\n0.248584 0.615545 0.884447 Sr\n0.614204 0.882121 0.248234 Sr\n0.751367 0.384547 0.115648 Sr\n0.383884 0.115639 0.749343 Sr\n0.116120 0.750245 0.384074 Sr\n0.998171 0.998471 0.002592 Co\n0.751103 0.753878 0.749233 Co\n0.501350 0.496549 0.503772 Co\n0.254019 0.258829 0.241395 Co\n0.224332 0.411166 0.537609 O\n0.407280 0.542179 0.213756 O\n0.539248 0.219682 0.413299 O\n0.908423 0.715127 0.043026 O\n0.721487 0.039120 0.915340 O\n0.035196 0.911018 0.720643 O\n0.776392 0.584895 0.461954 O\n0.591449 0.456840 0.783980 O\n0.463499 0.777505 0.590984 O\n0.091133 0.285167 0.957990 O\n0.275434 0.963734 0.088315 O\n0.961473 0.086782 0.278161 O\n",
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{
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"structure_string": "Li12 V6 P16 O58\n1.0\n4.887092 8.467268 0.000000\n-4.887092 8.467268 0.000000\n0.000000 0.017293 13.959482\nLi V P O\n12 6 16 58\ndirect\n0.762942 0.335940 0.307557 Li\n0.898587 0.762153 0.308186 Li\n0.763214 0.903092 0.816032 Li\n0.335576 0.763899 0.812475 Li\n0.329488 0.901999 0.307864 Li\n0.664060 0.237058 0.692443 Li\n0.237847 0.101413 0.691814 Li\n0.096908 0.236786 0.183968 Li\n0.236101 0.664424 0.187525 Li\n0.098001 0.670512 0.692136 Li\n0.992353 0.059546 0.767183 Li\n0.940454 0.007647 0.232817 Li\n0.561198 0.002692 0.005690 V\n0.434127 0.000237 0.498639 V\n0.568698 0.431302 0.500000 V\n0.440438 0.559562 0.000000 V\n0.997308 0.438802 0.994310 V\n0.999763 0.565873 0.501361 V\n0.917673 0.304733 0.590993 P\n0.779286 0.308426 0.092456 P\n0.912215 0.776076 0.092118 P\n0.663710 0.672104 0.882895 P\n0.666728 0.665558 0.380745 P\n0.769251 0.913357 0.596012 P\n0.695267 0.082327 0.409007 P\n0.316016 0.771940 0.591982 P\n0.691574 0.220714 0.907544 P\n0.310997 0.911122 0.092941 P\n0.223924 0.087785 0.907882 P\n0.327896 0.336290 0.117105 P\n0.334442 0.333272 0.619255 P\n0.086643 0.230749 0.403988 P\n0.228060 0.683984 0.408018 P\n0.088878 0.689003 0.907059 P\n0.001945 0.234094 0.313448 O\n0.921200 0.335106 0.089090 O\n0.780574 0.211795 0.817076 O\n0.746157 0.334290 0.592407 O\n0.920423 0.460433 0.583053 O\n0.809467 0.519660 0.925960 O\n0.921280 0.615325 0.083423 O\n0.998834 0.777651 0.818682 O\n0.916947 0.745182 0.592994 O\n0.681321 0.508453 0.421594 O\n0.622441 0.466451 0.080556 O\n0.809633 0.679241 0.423016 O\n0.657286 0.680047 0.776382 O\n0.669701 0.664507 0.273847 O\n0.675298 0.814412 0.925936 O\n0.474981 0.618778 0.576969 O\n0.512208 0.675845 0.925638 O\n0.744296 0.914864 0.092041 O\n0.790987 0.007538 0.508536 O\n0.801897 0.989566 0.328915 O\n0.765906 0.998055 0.686552 O\n0.617544 0.906240 0.577984 O\n0.509359 0.808414 0.421060 O\n0.664894 0.078800 0.910910 O\n0.470371 0.904686 0.081686 O\n0.333956 0.743061 0.094817 O\n0.799597 0.200403 0.000000 O\n0.788205 0.219426 0.182924 O\n0.226824 0.771212 0.318470 O\n0.665710 0.253843 0.407593 O\n0.539567 0.079577 0.416947 O\n0.336198 0.919527 0.590927 O\n0.480340 0.190533 0.074040 O\n0.384675 0.078720 0.916577 O\n0.216053 0.000027 0.819094 O\n0.222349 0.001166 0.181318 O\n0.203157 0.997079 0.000246 O\n0.254818 0.083053 0.407006 O\n0.491547 0.318679 0.578406 O\n0.533549 0.377559 0.919444 O\n0.320759 0.190367 0.576984 O\n0.335493 0.330299 0.726153 O\n0.319953 0.342714 0.223618 O\n0.185588 0.324702 0.074064 O\n0.381222 0.525019 0.423031 O\n0.324155 0.487792 0.074362 O\n0.085136 0.255704 0.907959 O\n0.992462 0.209013 0.491464 O\n0.010434 0.198103 0.671085 O\n0.093760 0.382456 0.422016 O\n0.191586 0.490641 0.578940 O\n0.095314 0.529629 0.918314 O\n0.256939 0.666044 0.905183 O\n0.228788 0.773176 0.681530 O\n0.206367 0.793633 0.500000 O\n0.080473 0.663802 0.409073 O\n0.999973 0.783947 0.180906 O\n0.002921 0.796843 0.999754 O\n",
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],
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"formula_full": "Li12 V6 P16 O58",
"formula_reduced": "Li6V3P8O29",
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{
"id": "mp-1192442",
"created_at": "2022-09-04T14:45:57.584148Z",
"structure_string": "Ce4 Mo4 O16 F4\n1.0\n6.621644 0.000000 0.000000\n0.000000 7.044581 0.000000\n0.000000 4.399904 9.145018\nCe Mo O F\n4 4 16 4\ndirect\n0.630701 0.803065 0.423457 Ce\n0.869299 0.803065 0.923457 Ce\n0.369299 0.196935 0.576543 Ce\n0.130701 0.196935 0.076543 Ce\n0.636174 0.334110 0.834723 Mo\n0.863826 0.334110 0.334723 Mo\n0.363826 0.665890 0.165277 Mo\n0.136174 0.665890 0.665277 Mo\n0.662567 0.554943 0.872441 O\n0.837433 0.554943 0.372441 O\n0.337433 0.445057 0.127559 O\n0.162567 0.445057 0.627559 O\n0.900585 0.785655 0.586947 O\n0.599415 0.785655 0.086947 O\n0.099415 0.214345 0.413053 O\n0.400585 0.214345 0.913053 O\n0.607817 0.439039 0.636093 O\n0.892183 0.439039 0.136093 O\n0.392183 0.560961 0.363907 O\n0.107817 0.560961 0.863907 O\n0.858730 0.164446 0.919154 O\n0.641270 0.164446 0.419154 O\n0.141270 0.835554 0.080846 O\n0.358730 0.835554 0.580846 O\n0.883332 0.013318 0.259616 F\n0.616668 0.013318 0.759616 F\n0.116668 0.986682 0.740384 F\n0.383332 0.986682 0.240384 F\n",
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"formula_full": "Ce4 Mo4 O16 F4",
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"spacegroup": 14
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{
"id": "mp-1079695",
"created_at": "2022-09-04T14:45:57.633272Z",
"structure_string": "V6 Ge2 N2\n1.0\n1.524007 -5.077971 0.000000\n1.524007 5.077971 0.000000\n0.000000 0.000000 7.730474\nV Ge N\n6 2 2\ndirect\n0.960357 0.039643 0.250000 V\n0.039643 0.960357 0.750000 V\n0.625574 0.374426 0.454694 V\n0.374426 0.625574 0.545306 V\n0.625574 0.374426 0.045306 V\n0.374426 0.625574 0.954694 V\n0.256416 0.743584 0.250000 Ge\n0.743584 0.256416 0.750000 Ge\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
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"formula_full": "V6 Ge2 N2",
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{
"id": "mp-768610",
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"structure_string": "Sr7 W4 O19\n1.0\n2.840353 6.969499 0.000000\n-2.840353 6.969499 0.000000\n0.000000 1.495310 10.488263\nSr W O\n7 4 19\ndirect\n0.859109 0.859109 0.954144 Sr\n0.416601 0.416601 0.160850 Sr\n0.790077 0.790077 0.586807 Sr\n0.209923 0.209923 0.413193 Sr\n0.583399 0.583399 0.839150 Sr\n0.140891 0.140891 0.045856 Sr\n0.500000 0.500000 0.500000 Sr\n0.964537 0.964537 0.319285 W\n0.326686 0.326686 0.781854 W\n0.673314 0.673314 0.218146 W\n0.035463 0.035463 0.680715 W\n0.687159 0.169885 0.714789 O\n0.169885 0.687159 0.714789 O\n0.399526 0.399526 0.928921 O\n0.954015 0.954015 0.143095 O\n0.631702 0.124841 0.370267 O\n0.124841 0.631702 0.370267 O\n0.304661 0.304661 0.609952 O\n0.999871 0.485393 0.845799 O\n0.485393 0.999871 0.845799 O\n0.514607 0.000129 0.154201 O\n0.000129 0.514607 0.154201 O\n0.695339 0.695339 0.390048 O\n0.368298 0.875159 0.629733 O\n0.875159 0.368298 0.629733 O\n0.045985 0.045985 0.856905 O\n0.600474 0.600474 0.071079 O\n0.830115 0.312841 0.285211 O\n0.312841 0.830115 0.285211 O\n0.000000 0.000000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:45:57.472478Z",
"structure_string": "Sn6 Pb2\n1.0\n3.381894 -5.857612 0.000000\n3.381894 5.857612 0.000000\n0.000000 0.000000 5.838991\nSn Pb\n6 2\ndirect\n0.163790 0.327581 0.250000 Sn\n0.672419 0.836210 0.250000 Sn\n0.163790 0.836210 0.250000 Sn\n0.836210 0.672419 0.750000 Sn\n0.327581 0.163790 0.750000 Sn\n0.836210 0.163790 0.750000 Sn\n0.333333 0.666667 0.750000 Pb\n0.666667 0.333333 0.250000 Pb\n",
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{
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"structure_string": "Zr1 Ga6 Fe1 Co5\n1.0\n0.000000 0.000000 5.042884\n-4.021475 4.304556 2.521443\n-4.021475 -4.304556 -2.521443\nZr Ga Fe Co\n1 6 1 5\ndirect\n0.998122 0.001878 0.998122 Zr\n0.500724 0.998014 0.498531 Ga\n0.999793 0.998014 0.498531 Ga\n0.500724 0.501469 0.001986 Ga\n0.999793 0.501469 0.001986 Ga\n0.499740 0.784798 0.784279 Ga\n0.499740 0.215721 0.215202 Ga\n0.281014 0.218986 0.781014 Fe\n0.645471 0.354529 0.645471 Co\n0.354408 0.645592 0.354408 Co\n0.002068 0.346537 0.350672 Co\n0.002068 0.649328 0.653463 Co\n0.716336 0.783664 0.216336 Co\n",
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"formula_full": "Zr1 Ga6 Fe1 Co5",
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{
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"structure_string": "Nd3 In3 Ni3\n1.0\n3.766513 -6.523792 0.000000\n3.766513 6.523792 0.000000\n0.000000 0.000000 3.979280\nNd In Ni\n3 3 3\ndirect\n0.415279 0.415279 0.500000 Nd\n0.584721 0.000000 0.500000 Nd\n0.000000 0.584721 0.500000 Nd\n0.754215 0.754215 0.000000 In\n0.245785 0.000000 0.000000 In\n0.000000 0.245785 0.000000 In\n0.000000 0.000000 0.500000 Ni\n0.666667 0.333333 0.000000 Ni\n0.333333 0.666667 0.000000 Ni\n",
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"formula_full": "Nd3 In3 Ni3",
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{
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"structure_string": "Hg6 As4 F24\n1.0\n8.781421 0.000000 0.000000\n0.000000 6.118012 0.000000\n0.000000 0.472787 11.553784\nHg As F\n6 4 24\ndirect\n0.735291 0.761121 0.570256 Hg\n0.235291 0.238879 0.929744 Hg\n0.264709 0.238879 0.429744 Hg\n0.764709 0.761121 0.070256 Hg\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.141498 0.700512 0.672247 As\n0.641498 0.299488 0.827753 As\n0.858502 0.299488 0.327753 As\n0.358502 0.700512 0.172247 As\n0.967552 0.575345 0.621162 F\n0.467552 0.424655 0.878838 F\n0.032448 0.424655 0.378838 F\n0.532448 0.575345 0.121162 F\n0.213682 0.433158 0.701704 F\n0.713682 0.566842 0.798296 F\n0.786318 0.566842 0.298296 F\n0.286318 0.433158 0.201704 F\n0.063476 0.698696 0.813847 F\n0.563476 0.301304 0.686153 F\n0.190094 0.824128 0.220329 F\n0.690094 0.175872 0.279671 F\n0.809906 0.175872 0.779671 F\n0.309906 0.824128 0.720329 F\n0.282112 0.691151 0.029995 F\n0.782112 0.308849 0.470005 F\n0.717888 0.308849 0.970005 F\n0.217888 0.691151 0.529995 F\n0.441039 0.958432 0.138408 F\n0.941039 0.041568 0.361592 F\n0.558961 0.041568 0.861592 F\n0.058961 0.958432 0.638408 F\n0.436524 0.698696 0.313847 F\n0.936524 0.301304 0.186153 F\n",
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