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{
"id": "mp-1185495",
"created_at": "2022-09-04T14:41:09.057144Z",
"structure_string": "Lu1 Bi1 Pd2\n1.0\n0.000000 3.438520 3.438520\n3.438520 0.000000 3.438520\n3.438520 3.438520 0.000000\nLu Bi Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Bi\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
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{
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"structure_string": "P32 C16 N48 Cl80\n1.0\n7.939501 0.000000 0.000000\n0.000000 17.143377 0.000000\n0.000000 0.000000 29.862452\nP C N Cl\n32 16 48 80\ndirect\n0.734365 0.613294 0.773507 P\n0.258683 0.335192 0.539732 P\n0.233637 0.527944 0.685446 P\n0.234365 0.386706 0.726493 P\n0.765635 0.613294 0.273507 P\n0.758683 0.664808 0.960268 P\n0.719872 0.666465 0.550840 P\n0.241317 0.335192 0.039732 P\n0.733637 0.972056 0.685446 P\n0.766363 0.972056 0.185446 P\n0.780128 0.666465 0.050840 P\n0.258683 0.835192 0.960268 P\n0.219872 0.333535 0.949160 P\n0.266363 0.027944 0.314554 P\n0.266363 0.527944 0.185446 P\n0.758683 0.164808 0.539732 P\n0.265635 0.386706 0.226493 P\n0.733637 0.472056 0.814554 P\n0.280128 0.333535 0.449160 P\n0.719872 0.166465 0.949160 P\n0.241317 0.835192 0.460268 P\n0.765635 0.113294 0.226493 P\n0.780128 0.166465 0.449160 P\n0.734365 0.113294 0.726493 P\n0.280128 0.833535 0.050840 P\n0.741317 0.664808 0.460268 P\n0.265635 0.886706 0.273507 P\n0.233637 0.027944 0.814554 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Cl\n0.601036 0.089995 0.570483 Cl\n0.306896 0.241424 0.408342 Cl\n0.642673 0.593483 0.088887 Cl\n0.375511 0.296358 0.705798 Cl\n0.782592 0.426955 0.001333 Cl\n0.124489 0.296358 0.205798 Cl\n0.372795 0.550262 0.630821 Cl\n0.234600 0.745564 0.417325 Cl\n0.398964 0.910005 0.429517 Cl\n0.734600 0.754436 0.417325 Cl\n0.875511 0.203642 0.705798 Cl\n0.627205 0.449738 0.369179 Cl\n0.234600 0.245564 0.082675 Cl\n0.142673 0.906517 0.088887 Cl\n0.624489 0.203642 0.205798 Cl\n0.217299 0.366616 0.792610 Cl\n0.357327 0.406517 0.911113 Cl\n0.282592 0.073045 0.001333 Cl\n0.734600 0.254436 0.082675 Cl\n0.282701 0.866616 0.207390 Cl\n0.142673 0.406517 0.411113 Cl\n0.806896 0.758576 0.091658 Cl\n0.717299 0.133384 0.792610 Cl\n0.217408 0.073045 0.501333 Cl\n0.193104 0.741424 0.591658 Cl\n0.872795 0.449738 0.869179 Cl\n0.217408 0.573045 0.998667 Cl\n0.124489 0.796358 0.294202 Cl\n0.806896 0.258576 0.408342 Cl\n0.278776 0.082292 0.661640 Cl\n0.221224 0.082292 0.161640 Cl\n0.278776 0.582292 0.838360 Cl\n0.857327 0.593483 0.588887 Cl\n0.765400 0.254436 0.582675 Cl\n0.780833 0.366599 0.285571 Cl\n0.898964 0.589995 0.429517 Cl\n0.693104 0.758576 0.591658 Cl\n0.265400 0.745564 0.917325 Cl\n0.265400 0.245564 0.582675 Cl\n0.306896 0.741424 0.091658 Cl\n0.193104 0.241424 0.908342 Cl\n0.627205 0.949738 0.130821 Cl\n0.127205 0.050262 0.369179 Cl\n0.280833 0.133401 0.285571 Cl\n0.624489 0.703642 0.294202 Cl\n0.782701 0.633384 0.207390 Cl\n0.127205 0.550262 0.130821 Cl\n0.101036 0.910005 0.929517 Cl\n0.717408 0.426955 0.501333 Cl\n0.717408 0.926955 0.998667 Cl\n",
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"formula_full": "P32 C16 N48 Cl80",
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{
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"created_at": "2022-09-04T14:41:09.081691Z",
"structure_string": "Li4 Nb3 Fe2 Ni3 O16\n1.0\n6.052260 0.000000 0.000000\n-3.015722 5.257403 0.000000\n-0.062603 -0.281672 9.745344\nLi Nb Fe Ni O\n4 3 2 3 16\ndirect\n0.658886 0.329342 0.883789 Li\n0.975222 0.946745 0.985596 Li\n0.995272 0.988985 0.503530 Li\n0.329624 0.663901 0.403958 Li\n0.338465 0.170776 0.215390 Nb\n0.835524 0.171142 0.213212 Nb\n0.176854 0.346818 0.717247 Nb\n0.685679 0.357220 0.506415 Fe\n0.345625 0.699097 0.974354 Fe\n0.827944 0.657163 0.212757 Ni\n0.168207 0.829046 0.712222 Ni\n0.662594 0.837565 0.712915 Ni\n0.344758 0.202029 0.595157 O\n0.515874 0.027558 0.330999 O\n0.653660 0.311299 0.099149 O\n0.003449 0.005463 0.316128 O\n0.019628 0.001432 0.804146 O\n0.848981 0.183929 0.598430 O\n0.511090 0.468634 0.341087 O\n0.957605 0.466691 0.340072 O\n0.157591 0.316001 0.104239 O\n0.855411 0.682828 0.600779 O\n0.032228 0.499741 0.848955 O\n0.476532 0.517826 0.847352 O\n0.317382 0.667181 0.606114 O\n0.172230 0.843449 0.101009 O\n0.462856 0.961693 0.835186 O\n0.670525 0.846444 0.097654 O\n",
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{
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"structure_string": "K4 Te2 Br12\n1.0\n7.701415 0.000000 0.000000\n0.000000 7.701415 0.000000\n0.000000 0.000000 11.097445\nK Te Br\n4 2 12\ndirect\n0.000000 0.500000 0.250000 K\n0.500000 0.000000 0.750000 K\n0.000000 0.500000 0.750000 K\n0.500000 0.000000 0.250000 K\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.207517 0.298379 0.500000 Br\n0.792483 0.701621 0.500000 Br\n0.000000 0.000000 0.246491 Br\n0.500000 0.500000 0.253509 Br\n0.000000 0.000000 0.753509 Br\n0.500000 0.500000 0.746491 Br\n0.201621 0.292483 0.000000 Br\n0.707517 0.201621 0.000000 Br\n0.292483 0.798379 0.000000 Br\n0.701621 0.207517 0.500000 Br\n0.298379 0.792483 0.500000 Br\n0.798379 0.707517 0.000000 Br\n",
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{
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"structure_string": "Ce4 Ga18 Ir6\n1.0\n3.855851 -6.653431 0.000000\n3.855851 6.653431 0.000000\n0.000000 0.000000 9.492642\nCe Ga Ir\n4 18 6\ndirect\n0.997217 0.668264 0.250000 Ce\n0.002783 0.331736 0.750000 Ce\n0.668264 0.997217 0.250000 Ce\n0.331736 0.002783 0.750000 Ce\n0.129044 0.129044 0.250000 Ga\n0.870956 0.870956 0.750000 Ga\n0.001005 0.334223 0.079243 Ga\n0.998995 0.665777 0.920757 Ga\n0.998995 0.665777 0.579243 Ga\n0.334223 0.001005 0.420757 Ga\n0.001005 0.334223 0.420757 Ga\n0.665777 0.998995 0.579243 Ga\n0.665777 0.998995 0.920757 Ga\n0.334223 0.001005 0.079243 Ga\n0.333843 0.333843 0.564240 Ga\n0.666157 0.666157 0.435760 Ga\n0.666157 0.666157 0.064240 Ga\n0.333843 0.333843 0.935760 Ga\n0.339099 0.544015 0.250000 Ga\n0.660901 0.455985 0.750000 Ga\n0.544015 0.339099 0.250000 Ga\n0.455985 0.660901 0.750000 Ga\n0.671574 0.328426 0.000000 Ir\n0.328426 0.671574 0.000000 Ir\n0.328426 0.671574 0.500000 Ir\n0.671574 0.328426 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n",
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{
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"structure_string": "Nd12 Rh3\n1.0\n10.026222 0.000000 0.000000\n0.000000 6.486293 0.000000\n0.000000 0.059786 7.290803\nNd Rh\n12 3\ndirect\n0.000000 0.155840 0.475154 Nd\n0.000000 0.351987 0.960708 Nd\n0.500000 0.860489 0.535150 Nd\n0.500000 0.651932 0.033479 Nd\n0.182953 0.666979 0.318760 Nd\n0.819322 0.840902 0.821721 Nd\n0.686185 0.337751 0.677759 Nd\n0.319667 0.175117 0.179067 Nd\n0.313815 0.337751 0.677759 Nd\n0.680333 0.175117 0.179067 Nd\n0.817047 0.666979 0.318760 Nd\n0.180678 0.840902 0.821721 Nd\n0.000000 0.579923 0.616228 Rh\n0.500000 0.076308 0.880198 Rh\n0.500000 0.440023 0.382469 Rh\n",
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{
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"structure_string": "Ba4 Mn6 Sb4 O4\n1.0\n4.527806 -4.340362 -0.000442\n4.363338 0.021141 10.210745\n-4.159325 -4.339135 1.786389\nBa Mn Sb O\n4 6 4 4\ndirect\n0.418252 0.163510 0.000004 Ba\n0.918252 0.163510 0.499997 Ba\n0.081748 0.836490 0.499997 Ba\n0.581748 0.836490 0.000004 Ba\n0.500001 0.999999 0.499997 Mn\n0.000000 0.500001 0.249984 Mn\n0.500000 0.500001 0.750037 Mn\n0.000000 0.000000 0.000001 Mn\n0.499999 0.500000 0.250014 Mn\n0.000002 0.500000 0.749965 Mn\n0.332288 0.335484 0.500001 Sb\n0.832287 0.335486 0.999999 Sb\n0.167714 0.664512 0.999999 Sb\n0.667712 0.664515 0.500002 Sb\n0.250003 0.000001 0.250004 O\n0.749996 0.000000 0.749996 O\n0.749996 0.000001 0.250004 O\n0.250003 0.000001 0.749997 O\n",
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"formula_full": "Ba4 Mn6 Sb4 O4",
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