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{
"id": "mp-1191105",
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{
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},
{
"id": "mp-1197334",
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"structure_string": "V4 H12 C16 N4 O26\n1.0\n4.596978 7.937146 0.000000\n-4.596978 7.937146 0.000000\n0.000000 5.166143 15.603882\nV H C N O\n4 12 16 4 26\ndirect\n0.086575 0.836475 0.355749 V\n0.836475 0.086575 0.855749 V\n0.206940 0.884603 0.140555 V\n0.884603 0.206940 0.640555 V\n0.029686 0.060683 0.014940 H\n0.060683 0.029686 0.514940 H\n0.120882 0.168611 0.025393 H\n0.168611 0.120882 0.525393 H\n0.245347 0.305020 0.450789 H\n0.305020 0.245347 0.950789 H\n0.405196 0.133066 0.484097 H\n0.133066 0.405196 0.984097 H\n0.029479 0.656799 0.039395 H\n0.656799 0.029479 0.539395 H\n0.981062 0.693423 0.948867 H\n0.693423 0.981062 0.448867 H\n0.680818 0.560129 0.414846 C\n0.560129 0.680818 0.914846 C\n0.768888 0.385692 0.421364 C\n0.385692 0.768888 0.921364 C\n0.835214 0.515693 0.180917 C\n0.515693 0.835214 0.680917 C\n0.765742 0.488155 0.341397 C\n0.488155 0.765742 0.841397 C\n0.444412 0.331904 0.228158 C\n0.331904 0.444412 0.728158 C\n0.640178 0.957825 0.110940 C\n0.957825 0.640178 0.610940 C\n0.496679 0.401185 0.147426 C\n0.401185 0.496679 0.647426 C\n0.517809 0.236686 0.161921 C\n0.236686 0.517809 0.661921 C\n0.807966 0.503234 0.257236 N\n0.503234 0.807966 0.757236 N\n0.573021 0.092920 0.134475 N\n0.092920 0.573021 0.634475 N\n0.868203 0.870211 0.349352 O\n0.870211 0.868203 0.849352 O\n0.914311 0.985422 0.286139 O\n0.985422 0.914311 0.786139 O\n0.070843 0.933681 0.429296 O\n0.933681 0.070843 0.929296 O\n0.249372 0.880979 0.253006 O\n0.880979 0.249372 0.753006 O\n0.182660 0.046783 0.199571 O\n0.046783 0.182660 0.699571 O\n0.075157 0.779248 0.123554 O\n0.779248 0.075157 0.623554 O\n0.160616 0.687268 0.189637 O\n0.687268 0.160616 0.689637 O\n0.393942 0.811205 0.084630 O\n0.811205 0.393942 0.584630 O\n0.143453 0.599973 0.406809 O\n0.599973 0.143453 0.906809 O\n0.287531 0.610771 0.364166 O\n0.610771 0.287531 0.864166 O\n0.070635 0.082185 0.058208 O\n0.082185 0.070635 0.558208 O\n0.283258 0.185620 0.475950 O\n0.185620 0.283258 0.975950 O\n0.051960 0.605077 0.990047 O\n0.605077 0.051960 0.490047 O\n",
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"formula_full": "V4 H12 C16 N4 O26",
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{
"id": "mp-1034910",
"created_at": "2022-09-04T14:39:06.684269Z",
"structure_string": "La1 Mg14 B1 O16\n1.0\n8.751829 0.000000 -0.000000\n0.000000 8.793049 0.000000\n0.000000 0.000000 4.382590\nLa Mg B O\n1 14 1 16\ndirect\n-0.000000 -0.000000 0.000000 La\n0.500000 -0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n-0.000000 0.274009 0.500000 Mg\n-0.000000 0.725991 0.500000 Mg\n0.500000 0.255184 0.500000 Mg\n0.500000 0.744816 0.500000 Mg\n0.267411 -0.000000 0.500000 Mg\n0.248048 0.500000 0.500000 Mg\n0.732589 -0.000000 0.500000 Mg\n0.751952 0.500000 0.500000 Mg\n0.256141 0.264919 0.000000 Mg\n0.256141 0.735081 -0.000000 Mg\n0.743859 0.264919 0.000000 Mg\n0.743859 0.735081 -0.000000 Mg\n-0.000000 0.500000 0.000000 B\n0.270384 -0.000000 0.000000 O\n0.271146 0.500000 0.000000 O\n0.729616 -0.000000 -0.000000 O\n0.728854 0.500000 -0.000000 O\n0.248562 0.249294 0.500000 O\n0.248562 0.750706 0.500000 O\n0.751438 0.249294 0.500000 O\n0.751438 0.750706 0.500000 O\n-0.000000 -0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.259763 0.000000 O\n-0.000000 0.740237 -0.000000 O\n0.500000 0.249959 0.000000 O\n0.500000 0.750041 -0.000000 O\n",
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"volume": 337.2633583430029,
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{
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"created_at": "2022-09-04T14:39:08.052447Z",
"structure_string": "Ce1 Ga3 Ag1\n1.0\n4.345808 0.000000 0.000000\n0.000000 4.345808 0.000000\n2.172904 2.172904 5.412284\nCe Ga Ag\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.386717 0.386717 0.226566 Ga\n0.613283 0.613283 0.773434 Ga\n0.250000 0.750000 0.500000 Ga\n0.750000 0.250000 0.500000 Ag\n",
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{
"id": "mp-1028290",
"created_at": "2022-09-04T14:39:07.243988Z",
"structure_string": "Rb1 Mg14 Sn1\n1.0\n6.542465 -0.073010 0.000000\n-3.334461 5.775455 0.000000\n0.000000 0.000000 10.648900\nRb Mg Sn\n1 14 1\ndirect\n0.168767 0.834383 0.125000 Rb\n0.164769 0.332384 0.625000 Mg\n0.168408 0.834204 0.625000 Mg\n0.665296 0.338371 0.125000 Mg\n0.669179 0.331711 0.625000 Mg\n0.665296 0.826924 0.125000 Mg\n0.669179 0.837468 0.625000 Mg\n0.335137 0.176517 0.388151 Mg\n0.335137 0.176517 0.861849 Mg\n0.335137 0.658621 0.388151 Mg\n0.335137 0.658621 0.861849 Mg\n0.832222 0.166111 0.371379 Mg\n0.832222 0.166111 0.878621 Mg\n0.820872 0.660436 0.391273 Mg\n0.820872 0.660436 0.858727 Mg\n0.182371 0.341185 0.125000 Sn\n",
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{
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"structure_string": "In12 Te12 Br4\n1.0\n4.423242 0.000000 0.000000\n0.000000 11.911994 0.000000\n0.000000 0.000000 21.049380\nIn Te Br\n12 12 4\ndirect\n0.250000 0.673235 0.990174 In\n0.750000 0.326765 0.009826 In\n0.750000 0.826765 0.490174 In\n0.250000 0.173235 0.509826 In\n0.250000 0.546387 0.103650 In\n0.750000 0.453613 0.896350 In\n0.750000 0.953613 0.603650 In\n0.250000 0.046387 0.396350 In\n0.250000 0.660816 0.633816 In\n0.750000 0.339184 0.366184 In\n0.750000 0.839184 0.133816 In\n0.250000 0.160816 0.866184 In\n0.250000 0.728800 0.194605 Te\n0.750000 0.271200 0.805395 Te\n0.750000 0.771200 0.694605 Te\n0.250000 0.228800 0.305395 Te\n0.250000 0.669497 0.498715 Te\n0.750000 0.330503 0.501285 Te\n0.750000 0.830503 0.998715 Te\n0.250000 0.169497 0.001285 Te\n0.250000 0.596796 0.861356 Te\n0.750000 0.403204 0.138644 Te\n0.750000 0.903204 0.361356 Te\n0.250000 0.096796 0.638644 Te\n0.250000 0.955057 0.831972 Br\n0.750000 0.044943 0.168028 Br\n0.750000 0.544943 0.331972 Br\n0.250000 0.455057 0.668028 Br\n",
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{
"id": "mp-1210330",
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"structure_string": "Na8 Zr4 Ge10 H2 O32\n1.0\n5.532942 0.000000 0.000000\n0.000000 7.170180 0.000000\n0.000000 6.289000 20.537587\nNa Zr Ge H O\n8 4 10 2 32\ndirect\n0.739801 0.615483 0.526792 Na\n0.260199 0.384517 0.473208 Na\n0.739801 0.384517 0.973208 Na\n0.260199 0.615483 0.026792 Na\n0.504745 0.758614 0.209332 Na\n0.495255 0.241386 0.790668 Na\n0.504745 0.241386 0.290668 Na\n0.495255 0.758614 0.709332 Na\n0.264264 0.886533 0.411197 Zr\n0.735736 0.113467 0.588803 Zr\n0.264264 0.113467 0.088803 Zr\n0.735736 0.886533 0.911197 Zr\n0.992537 0.000000 0.250000 Ge\n0.007463 0.000000 0.750000 Ge\n0.787498 0.806866 0.078428 Ge\n0.212502 0.193134 0.921572 Ge\n0.787498 0.193134 0.421572 Ge\n0.212502 0.806866 0.578428 Ge\n0.755519 0.646303 0.365128 Ge\n0.244481 0.353697 0.634872 Ge\n0.755519 0.353697 0.134872 Ge\n0.244481 0.646303 0.865128 Ge\n0.177553 0.500000 0.250000 H\n0.822447 0.500000 0.750000 H\n0.456160 0.657014 0.389803 O\n0.543840 0.342986 0.610197 O\n0.456160 0.342986 0.110197 O\n0.543840 0.657014 0.889803 O\n0.828738 0.965806 0.687611 O\n0.171262 0.034194 0.312389 O\n0.828738 0.034194 0.812389 O\n0.171262 0.965806 0.187611 O\n0.667721 0.745792 0.010750 O\n0.332279 0.254208 0.989250 O\n0.667721 0.254208 0.489250 O\n0.332279 0.745792 0.510750 O\n0.910394 0.881909 0.564721 O\n0.089606 0.118091 0.435279 O\n0.910394 0.118091 0.935279 O\n0.089606 0.881909 0.064721 O\n0.787668 0.799487 0.281923 O\n0.212332 0.200513 0.718077 O\n0.787668 0.200513 0.218077 O\n0.212332 0.799487 0.781923 O\n0.966947 0.687447 0.420520 O\n0.033053 0.312553 0.579480 O\n0.966947 0.312553 0.079480 O\n0.033053 0.687447 0.920520 O\n0.590735 0.958289 0.106558 O\n0.409265 0.041711 0.893442 O\n0.590735 0.041711 0.393442 O\n0.409265 0.958289 0.606558 O\n0.788595 0.588496 0.148263 O\n0.211405 0.411504 0.851737 O\n0.788595 0.411504 0.351737 O\n0.211405 0.588496 0.648263 O\n",
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{
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{
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"formula_full": "Li1 Cu1 P4 Ru2 O14",
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{
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"structure_string": "Li4 V12 Co8 O48\n1.0\n8.876105 0.000000 0.000000\n0.000000 8.589747 0.000000\n0.000000 8.526683 12.110688\nLi V Co O\n4 12 8 48\ndirect\n0.216574 0.995671 0.185110 Li\n0.716574 0.004329 0.314890 Li\n0.283426 0.995671 0.685110 Li\n0.783426 0.004329 0.814890 Li\n0.749425 0.537720 0.491552 V\n0.615455 0.259252 0.855629 V\n0.884690 0.971651 0.138691 V\n0.115455 0.740748 0.644371 V\n0.384690 0.028349 0.361309 V\n0.249425 0.462280 0.008448 V\n0.750575 0.537720 0.991552 V\n0.615310 0.971651 0.638691 V\n0.884545 0.259252 0.355629 V\n0.115310 0.028349 0.861309 V\n0.384545 0.740748 0.144371 V\n0.250575 0.462280 0.508448 V\n0.974751 0.366002 0.886303 Co\n0.474751 0.633998 0.613697 Co\n0.027809 0.872200 0.379489 Co\n0.527809 0.127800 0.120511 Co\n0.472191 0.872200 0.879489 Co\n0.972191 0.127800 0.620511 Co\n0.525249 0.366002 0.386303 Co\n0.025249 0.633998 0.113697 Co\n0.110540 0.179413 0.902181 O\n0.340556 0.465972 0.612084 O\n0.118527 0.640960 0.438646 O\n0.421977 0.898950 0.181754 O\n0.629348 0.515775 0.590705 O\n0.814318 0.271834 0.850441 O\n0.562255 0.153775 0.990313 O\n0.011506 0.891901 0.246605 O\n0.706523 0.991867 0.181633 O\n0.833910 0.763556 0.422640 O\n0.524354 0.472397 0.766699 O\n0.024354 0.527603 0.733301 O\n0.443116 0.798257 0.463441 O\n0.943116 0.201743 0.036559 O\n0.333910 0.236444 0.077360 O\n0.206523 0.008133 0.318367 O\n0.062255 0.846225 0.509687 O\n0.314318 0.728166 0.649559 O\n0.129348 0.484225 0.909295 O\n0.511506 0.108099 0.253395 O\n0.840556 0.534028 0.887916 O\n0.610540 0.820587 0.597819 O\n0.921977 0.101050 0.318246 O\n0.618527 0.359040 0.061354 O\n0.381473 0.640960 0.938646 O\n0.078023 0.898950 0.681754 O\n0.389460 0.179413 0.402181 O\n0.159444 0.465972 0.112084 O\n0.488494 0.891901 0.746605 O\n0.870652 0.515775 0.090705 O\n0.685682 0.271834 0.350441 O\n0.937745 0.153775 0.490313 O\n0.793477 0.991867 0.681633 O\n0.666090 0.763556 0.922640 O\n0.056884 0.798257 0.963441 O\n0.556884 0.201743 0.536559 O\n0.975646 0.472397 0.266699 O\n0.475646 0.527603 0.233301 O\n0.166090 0.236444 0.577360 O\n0.293477 0.008133 0.818367 O\n0.988494 0.108099 0.753395 O\n0.437745 0.846225 0.009687 O\n0.185682 0.728166 0.149559 O\n0.370652 0.484225 0.409295 O\n0.578023 0.101050 0.818246 O\n0.881473 0.359040 0.561354 O\n0.659444 0.534028 0.387916 O\n0.889460 0.820587 0.097819 O\n",
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"formula_full": "Li4 V12 Co8 O48",
"formula_reduced": "LiV3(CoO6)2",
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"spacegroup": 14
},
{
"id": "mp-1080205",
"created_at": "2022-09-04T14:39:08.841387Z",
"structure_string": "K4 Mn4 O8\n1.0\n-3.207382 3.207382 5.362380\n3.207382 -3.207382 5.362380\n3.207382 3.207382 -5.362380\nK Mn O\n4 4 8\ndirect\n0.375000 0.125000 0.250000 K\n0.875000 0.125000 0.750000 K\n0.875000 0.625000 0.750000 K\n0.875000 0.125000 0.250000 K\n0.375000 0.625000 0.750000 Mn\n0.375000 0.125000 0.750000 Mn\n0.375000 0.625000 0.250000 Mn\n0.875000 0.625000 0.250000 Mn\n0.188196 0.379654 0.808542 O\n0.620346 0.428888 0.808542 O\n0.620346 0.811804 0.191458 O\n0.571112 0.379654 0.191458 O\n0.129654 0.821112 0.691458 O\n0.561804 0.870346 0.691458 O\n0.178888 0.870346 0.308542 O\n0.129654 0.438196 0.308542 O\n",
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],
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"formula_full": "K4 Mn4 O8",
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}
]
}