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{
"id": "mp-1212639",
"created_at": "2022-09-04T14:40:43.083563Z",
"structure_string": "K8 Cu4 Cl16\n1.0\n7.053558 0.000000 0.000000\n0.000000 9.346490 0.000000\n0.000000 0.000000 12.171774\nK Cu Cl\n8 4 16\ndirect\n0.250000 0.994064 0.172825 K\n0.750000 0.005936 0.827175 K\n0.750000 0.505936 0.672825 K\n0.250000 0.494064 0.327175 K\n0.250000 0.647009 0.916683 K\n0.750000 0.352991 0.083317 K\n0.750000 0.852991 0.416683 K\n0.250000 0.147009 0.583317 K\n0.250000 0.724773 0.575005 Cu\n0.750000 0.275227 0.424995 Cu\n0.750000 0.775227 0.075005 Cu\n0.250000 0.224773 0.924995 Cu\n0.981435 0.804120 0.652586 Cl\n0.018565 0.195880 0.347414 Cl\n0.018565 0.695880 0.152586 Cl\n0.481435 0.195880 0.347414 Cl\n0.981435 0.304120 0.847414 Cl\n0.518565 0.804120 0.652586 Cl\n0.518565 0.304120 0.847414 Cl\n0.481435 0.695880 0.152586 Cl\n0.250000 0.484609 0.597460 Cl\n0.750000 0.515391 0.402540 Cl\n0.750000 0.015391 0.097460 Cl\n0.250000 0.984609 0.902540 Cl\n0.250000 0.332765 0.090028 Cl\n0.750000 0.667235 0.909972 Cl\n0.750000 0.167235 0.590028 Cl\n0.250000 0.832765 0.409972 Cl\n",
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{
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"structure_string": "In4 Ag4 S8\n1.0\n6.805738 0.000000 0.000000\n0.000000 7.153017 0.000000\n0.000000 0.000000 8.353621\nIn Ag S\n4 4 8\ndirect\n0.612927 0.072853 0.128970 In\n0.112927 0.927147 0.871030 In\n0.112927 0.427147 0.628970 In\n0.612927 0.572853 0.371030 In\n0.120636 0.912147 0.369276 Ag\n0.620636 0.587853 0.869276 Ag\n0.620636 0.087853 0.630724 Ag\n0.120636 0.412147 0.130724 Ag\n0.982638 0.576261 0.380081 S\n0.482638 0.423739 0.619919 S\n0.482638 0.923739 0.880081 S\n0.982638 0.076261 0.119919 S\n0.998799 0.592917 0.875940 S\n0.998799 0.092917 0.624060 S\n0.498799 0.907083 0.375940 S\n0.498799 0.407083 0.124060 S\n",
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"formula_full": "In4 Ag4 S8",
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},
{
"id": "mp-1520732",
"created_at": "2022-09-04T14:40:43.106569Z",
"structure_string": "Sr2 Ca2 Gd2 Bi2 O12\n1.0\n5.885010 -0.000799 0.010647\n0.005663 6.069653 0.000735\n0.025855 0.008989 8.465597\nSr Ca Gd Bi O\n2 2 2 2 12\ndirect\n0.511301 0.550899 0.250300 Sr\n0.488699 0.449101 0.749700 Sr\n0.985244 0.049982 0.248232 Ca\n0.014756 0.950018 0.751768 Ca\n0.500000 0.000000 -0.000000 Gd\n-0.000000 0.500000 0.500000 Gd\n-0.000000 0.500000 -0.000000 Bi\n0.500000 0.000000 0.500000 Bi\n0.183389 0.204072 0.936323 O\n0.312352 0.707814 0.555755 O\n0.816611 0.795928 0.063677 O\n0.687648 0.292186 0.444245 O\n0.293654 0.694176 0.948029 O\n0.204960 0.189219 0.564845 O\n0.706346 0.305824 0.051971 O\n0.795040 0.810781 0.435155 O\n0.378328 0.964483 0.259910 O\n0.100245 0.440674 0.240829 O\n0.621672 0.035517 0.740090 O\n0.899755 0.559326 0.759171 O\n",
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"formula_full": "Sr2 Ca2 Gd2 Bi2 O12",
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},
{
"id": "mp-1048915",
"created_at": "2022-09-04T14:40:43.036872Z",
"structure_string": "Ca4 Mn8 P8 O32\n1.0\n2.547062 8.745021 0.000000\n-2.547062 8.745021 0.000000\n0.000000 8.320090 15.376993\nCa Mn P O\n4 8 8 32\ndirect\n0.480367 0.833905 0.855726 Ca\n0.164899 0.516185 0.645413 Ca\n0.833905 0.480367 0.355726 Ca\n0.516185 0.164899 0.145413 Ca\n0.197473 0.616363 0.960468 Mn\n0.383407 0.799859 0.539357 Mn\n0.799859 0.383407 0.039357 Mn\n0.504403 0.001946 0.998756 Mn\n0.616363 0.197473 0.460468 Mn\n0.651827 0.347450 0.249972 Mn\n0.347450 0.651827 0.749972 Mn\n0.001946 0.504403 0.498756 Mn\n0.049964 0.514204 0.867292 P\n0.770265 0.194034 0.609144 P\n0.947153 0.486065 0.133523 P\n0.194034 0.770265 0.109144 P\n0.514204 0.049964 0.367292 P\n0.486065 0.947153 0.633523 P\n0.226182 0.805265 0.391071 P\n0.805265 0.226182 0.891071 P\n0.698900 0.805200 0.107558 O\n0.797354 0.357653 0.928514 O\n0.805200 0.698900 0.607558 O\n0.805601 0.350240 0.538570 O\n0.190258 0.360207 0.055379 O\n0.565271 0.343631 0.688891 O\n0.648097 0.189277 0.960046 O\n0.886207 0.062864 0.129569 O\n0.189277 0.648097 0.460046 O\n0.640724 0.196159 0.573215 O\n0.869449 0.376400 0.144669 O\n0.602959 0.949922 0.287480 O\n0.196159 0.640724 0.073215 O\n0.062864 0.886207 0.629569 O\n0.299894 0.195421 0.893557 O\n0.124292 0.627751 0.855367 O\n0.949922 0.602959 0.787480 O\n0.350240 0.805601 0.038570 O\n0.376400 0.869449 0.644669 O\n0.398524 0.045466 0.712731 O\n0.934136 0.113428 0.370200 O\n0.360207 0.190258 0.555379 O\n0.113428 0.934136 0.870200 O\n0.343631 0.565271 0.188891 O\n0.357653 0.797354 0.428514 O\n0.195421 0.299894 0.393557 O\n0.045466 0.398524 0.212731 O\n0.642628 0.805141 0.445381 O\n0.805141 0.642628 0.945381 O\n0.654638 0.433288 0.810927 O\n0.433288 0.654638 0.310927 O\n0.627751 0.124292 0.355367 O\n",
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"elements": [
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],
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"density": 3.295751033455945,
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"volume": 685.0176879629502,
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"formula_full": "Ca4 Mn8 P8 O32",
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"energy": -428.0748520099999,
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{
"id": "mp-758849",
"created_at": "2022-09-04T14:40:43.062630Z",
"structure_string": "Cu2 Sn2 P4 O16\n1.0\n6.095140 0.000000 0.000000\n0.000000 4.957332 0.000000\n0.000000 0.334510 10.050185\nCu Sn P O\n2 2 4 16\ndirect\n0.250000 0.896662 0.707209 Cu\n0.750000 0.103338 0.292791 Cu\n0.750000 0.461825 0.781951 Sn\n0.250000 0.538175 0.218049 Sn\n0.250000 0.410627 0.898161 P\n0.750000 0.917038 0.595337 P\n0.250000 0.082962 0.404663 P\n0.750000 0.589373 0.101839 P\n0.750000 0.674489 0.951249 O\n0.250000 0.717368 0.879657 O\n0.045803 0.275609 0.831503 O\n0.454197 0.275609 0.831503 O\n0.943291 0.760787 0.671300 O\n0.556709 0.760787 0.671300 O\n0.750000 0.221314 0.620323 O\n0.250000 0.133893 0.552435 O\n0.750000 0.866107 0.447565 O\n0.250000 0.778686 0.379677 O\n0.056709 0.239213 0.328700 O\n0.443291 0.239213 0.328700 O\n0.545803 0.724391 0.168497 O\n0.954197 0.724391 0.168497 O\n0.750000 0.282632 0.120343 O\n0.250000 0.325511 0.048751 O\n",
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"formula_full": "Cu2 Sn2 P4 O16",
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{
"id": "mp-555084",
"created_at": "2022-09-04T14:40:43.063923Z",
"structure_string": "Gd2 W2 Cl2 O8\n1.0\n3.724834 5.228005 0.000000\n-3.724834 5.228005 0.000000\n0.000000 2.114961 6.714934\nGd W Cl O\n2 2 2 8\ndirect\n0.221696 0.221696 0.882185 Gd\n0.778304 0.778304 0.117815 Gd\n0.362670 0.362670 0.267352 W\n0.637330 0.637330 0.732648 W\n0.988044 0.988044 0.769026 Cl\n0.011956 0.011956 0.230974 Cl\n0.543498 0.543498 0.199331 O\n0.456502 0.456502 0.800669 O\n0.111069 0.491408 0.154759 O\n0.888931 0.508592 0.845241 O\n0.491408 0.111069 0.154759 O\n0.508592 0.888931 0.845241 O\n0.706577 0.706577 0.466194 O\n0.293423 0.293423 0.533806 O\n",
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{
"id": "mp-1177696",
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"structure_string": "Li12 Cr4 P4 C4 O28\n1.0\n6.476434 0.000000 0.000000\n-0.041016 8.695241 0.000000\n-0.046879 -0.856682 9.978428\nLi Cr P C O\n12 4 4 4 28\ndirect\n0.749640 0.886033 0.390778 Li\n0.735577 0.889545 0.881972 Li\n0.526362 0.708627 0.113360 Li\n0.981284 0.729722 0.645139 Li\n0.524170 0.727457 0.641984 Li\n0.258623 0.651634 0.873270 Li\n0.474252 0.274369 0.371880 Li\n0.025256 0.276583 0.372947 Li\n0.468887 0.278607 0.869258 Li\n0.027844 0.276845 0.869680 Li\n0.253160 0.115153 0.100688 Li\n0.251712 0.101009 0.624599 Li\n0.030182 0.754980 0.114133 Cr\n0.247999 0.665950 0.406722 Cr\n0.745053 0.335568 0.099865 Cr\n0.750102 0.334823 0.604554 Cr\n0.744450 0.588097 0.364590 P\n0.748989 0.589169 0.863825 P\n0.247365 0.414411 0.139650 P\n0.250003 0.411273 0.640582 P\n0.241228 0.969607 0.348883 C\n0.244379 0.960424 0.854770 C\n0.756865 0.034735 0.146493 C\n0.750841 0.033027 0.646914 C\n0.251374 0.953536 0.474066 O\n0.780206 0.896667 0.190258 O\n0.239330 0.932760 0.980066 O\n0.236454 0.839735 0.266649 O\n0.749814 0.894648 0.687728 O\n0.245805 0.849427 0.760157 O\n0.934122 0.685411 0.420269 O\n0.561684 0.688068 0.424720 O\n0.942114 0.683180 0.919941 O\n0.561920 0.686972 0.915073 O\n0.254223 0.580659 0.094886 O\n0.736003 0.580412 0.209377 O\n0.250861 0.577231 0.595133 O\n0.756362 0.580400 0.708247 O\n0.249534 0.418430 0.294665 O\n0.745968 0.421643 0.408721 O\n0.250052 0.422149 0.795107 O\n0.746249 0.422004 0.908024 O\n0.059190 0.317695 0.081376 O\n0.431420 0.316093 0.079891 O\n0.435905 0.312674 0.583279 O\n0.063368 0.312526 0.581859 O\n0.740420 0.154473 0.233266 O\n0.239510 0.101304 0.299150 O\n0.751247 0.153505 0.735402 O\n0.751693 0.051001 0.020877 O\n0.249750 0.104942 0.823753 O\n0.751198 0.054805 0.521523 O\n",
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