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{
"id": "mp-1183029",
"created_at": "2022-09-04T14:47:29.718424Z",
"structure_string": "Ag16 C48 N48 O32\n1.0\n7.728908 -0.000533 1.636583\n2.913745 14.194876 5.318195\n-0.026799 -0.375244 19.257096\nAg C N O\n16 48 48 32\ndirect\n0.637925 0.432059 0.785230 Ag\n0.853560 0.066948 0.714873 Ag\n0.090238 0.145906 0.074502 Ag\n0.144904 0.426310 0.949177 Ag\n0.909255 0.853245 0.926468 Ag\n0.482264 0.927282 0.448765 Ag\n0.771222 0.453902 0.322386 Ag\n0.224663 0.545862 0.678136 Ag\n0.688720 0.648214 0.573724 Ag\n0.450685 0.953799 0.822042 Ag\n0.855724 0.573752 0.051585 Ag\n0.364119 0.566488 0.214033 Ag\n0.146032 0.933143 0.285811 Ag\n0.310348 0.353672 0.425664 Ag\n0.549650 0.046585 0.178477 Ag\n0.520100 0.072789 0.551534 Ag\n0.194536 0.324897 0.215366 C\n0.093932 0.082060 0.389202 C\n0.632703 0.113007 0.332631 C\n0.804454 0.674827 0.785368 C\n0.757009 0.392360 0.540921 C\n0.282518 0.582424 0.392924 C\n0.514714 0.121410 0.992216 C\n0.308196 0.892727 0.041113 C\n0.696426 0.754049 0.339100 C\n0.365663 0.887194 0.667268 C\n0.819028 0.847241 0.530837 C\n0.303916 0.245196 0.661118 C\n0.273935 0.160049 0.843275 C\n0.484321 0.879359 0.007861 C\n0.966875 0.700518 0.165529 C\n0.789310 0.745985 0.161400 C\n0.564425 0.417285 0.110830 C\n0.908771 0.918573 0.610906 C\n0.717961 0.417398 0.607070 C\n0.742407 0.082938 0.892852 C\n0.242518 0.607278 0.459251 C\n0.371681 0.621269 0.492398 C\n0.254516 0.740756 0.704327 C\n0.833276 0.799343 0.334055 C\n0.723111 0.659477 0.343775 C\n0.196816 0.652798 0.969194 C\n0.947181 0.874114 0.554850 C\n0.256718 0.918021 0.107118 C\n0.033982 0.299724 0.834845 C\n0.805764 0.346023 0.030623 C\n0.921864 0.611799 0.833256 C\n0.626868 0.379147 0.507921 C\n0.691074 0.107678 0.959149 C\n0.077290 0.387500 0.167047 C\n0.437366 0.581548 0.888764 C\n0.727775 0.840747 0.157055 C\n0.168078 0.199650 0.664958 C\n0.375591 0.625554 0.945095 C\n0.701591 0.758361 0.796945 C\n0.275244 0.339979 0.656522 C\n0.263081 0.824430 0.715408 C\n0.211591 0.254690 0.838969 C\n0.626948 0.372914 0.054765 C\n0.735642 0.175586 0.284593 C\n0.183190 0.153389 0.469373 C\n0.297804 0.241168 0.204085 C\n0.055617 0.126580 0.445081 C\n0.743156 0.259425 0.295641 C\n0.509125 0.455686 0.156687 N\n0.020983 0.558716 0.872548 N\n0.679403 0.440995 0.661273 N\n0.978223 0.440382 0.127594 N\n0.946841 0.838572 0.327438 N\n0.067893 0.617351 0.493834 N\n0.113573 0.661364 0.171111 N\n0.254740 0.418816 0.653685 N\n0.480570 0.631628 0.520423 N\n0.321413 0.559216 0.338522 N\n0.751144 0.328880 0.305756 N\n0.336909 0.309060 0.829970 N\n0.708141 0.826435 0.510679 N\n0.450837 0.940467 0.628084 N\n0.547277 0.059923 0.371888 N\n0.055464 0.160238 0.670395 N\n0.612836 0.827612 0.807070 N\n0.672097 0.919452 0.154573 N\n0.631901 0.869641 0.980099 N\n0.499531 0.633666 0.984269 N\n0.931705 0.381189 0.506303 N\n0.844875 0.148432 0.225068 N\n0.820560 0.117826 0.993860 N\n0.884032 0.134742 0.484318 N\n0.245528 0.671339 0.694401 N\n0.878535 0.956961 0.656812 N\n0.118325 0.865878 0.515379 N\n0.216673 0.351707 0.275028 N\n0.491742 0.543715 0.842493 N\n0.367215 0.131275 0.020078 N\n0.741984 0.580805 0.346520 N\n0.123453 0.043499 0.343423 N\n0.957887 0.325271 0.010593 N\n0.525440 0.808309 0.330701 N\n0.155389 0.851251 0.775372 N\n0.218465 0.941756 0.161260 N\n0.782261 0.649018 0.725180 N\n0.475074 0.191486 0.670179 N\n0.294451 0.173786 0.489507 N\n0.329409 0.081315 0.845782 N\n0.178421 0.882337 0.006541 N\n0.780910 0.059814 0.838435 N\n0.044767 0.673631 0.989296 N\n0.517248 0.369155 0.480104 N\n0.663040 0.692413 0.169992 N\n0.503080 0.365176 0.015270 N\n0.385993 0.171658 0.194234 N\n0.887104 0.338476 0.829239 N\n0.951089 0.606098 0.464045 O\n0.497646 0.271918 0.825825 O\n0.966930 0.361952 0.444994 O\n0.129676 0.428720 0.283506 O\n0.593042 0.229077 0.675062 O\n0.844414 0.071021 0.216995 O\n0.773514 0.102222 0.464743 O\n0.049604 0.390960 0.536413 O\n0.340375 0.396960 0.035382 O\n0.942870 0.202762 0.181106 O\n0.222677 0.862831 0.945407 O\n0.502628 0.730023 0.174534 O\n0.156682 0.928428 0.783523 O\n0.502763 0.104895 0.674329 O\n0.499172 0.894779 0.326147 O\n0.867215 0.571841 0.716482 O\n0.280663 0.395543 0.825792 O\n0.031360 0.637358 0.554886 O\n0.058022 0.796771 0.819705 O\n0.717975 0.605927 0.174007 O\n0.229433 0.897592 0.535294 O\n0.324607 0.297013 0.319002 O\n0.020633 0.892556 0.036818 O\n0.552730 0.329780 0.963247 O\n0.450104 0.669715 0.035948 O\n0.674643 0.704296 0.681305 O\n0.775675 0.137203 0.055113 O\n0.978498 0.106909 0.964128 O\n0.155436 0.830392 0.463436 O\n0.845431 0.170761 0.535974 O\n0.662157 0.601278 0.964653 O\n0.405783 0.771268 0.326505 O\n",
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"volume_molar": 8.895204972736291,
"formula_full": "Ag16 C48 N48 O32",
"formula_reduced": "AgC3N3O2",
"formula_anonymous": "AB2C3D3",
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"spacegroup": 15
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{
"id": "mp-570315",
"created_at": "2022-09-04T14:46:32.725974Z",
"structure_string": "P8 Br16 N8\n1.0\n11.919238 0.000000 0.000000\n0.000000 11.919238 0.000000\n0.000000 0.000000 6.784853\nP Br N\n8 16 8\ndirect\n0.042698 0.837994 0.948843 P\n0.337994 0.457302 0.448843 P\n0.837994 0.957302 0.051157 P\n0.457302 0.662006 0.551157 P\n0.542698 0.337994 0.551157 P\n0.162006 0.042698 0.051157 P\n0.662006 0.542698 0.448843 P\n0.957302 0.162006 0.948843 P\n0.098829 0.808659 0.643275 Br\n0.670687 0.943517 0.913538 Br\n0.401171 0.691341 0.856725 Br\n0.170687 0.443517 0.586462 Br\n0.308659 0.401171 0.143275 Br\n0.598829 0.308659 0.856725 Br\n0.808659 0.901171 0.356725 Br\n0.829313 0.556483 0.586462 Br\n0.943517 0.329313 0.086462 Br\n0.443517 0.829313 0.413538 Br\n0.556483 0.170687 0.413538 Br\n0.056483 0.670687 0.086462 Br\n0.191341 0.098829 0.356725 Br\n0.329313 0.056483 0.913538 Br\n0.901171 0.191341 0.643275 Br\n0.691341 0.598829 0.143275 Br\n0.414283 0.372029 0.568916 N\n0.372029 0.585717 0.431084 N\n0.872029 0.085717 0.068916 N\n0.585717 0.627971 0.568916 N\n0.914283 0.872029 0.931084 N\n0.127971 0.914283 0.068916 N\n0.085717 0.127971 0.931084 N\n0.627971 0.414283 0.431084 N\n",
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"formula_full": "P8 Br16 N8",
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{
"id": "mp-1187260",
"created_at": "2022-09-04T14:40:19.460760Z",
"structure_string": "Ta1 In1 O3\n1.0\n4.067159 0.000000 0.000000\n0.000000 4.067159 0.000000\n0.000000 0.000000 4.067159\nTa In O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
"id": "mp-1041342",
"created_at": "2022-09-04T14:39:37.157536Z",
"structure_string": "Ba4 Ta4 F28\n1.0\n10.186926 0.000000 0.000000\n0.000000 5.761893 0.000000\n0.000000 0.420058 10.414464\nBa Ta F\n4 4 28\ndirect\n0.331051 0.309903 0.509420 Ba\n0.831051 0.690097 0.990580 Ba\n0.668949 0.690097 0.490580 Ba\n0.168949 0.309903 0.009420 Ba\n0.610598 0.184544 0.185490 Ta\n0.389402 0.815456 0.814510 Ta\n0.889402 0.184544 0.685490 Ta\n0.110598 0.815456 0.314510 Ta\n0.448684 0.101461 0.880416 F\n0.050102 0.331486 0.634751 F\n0.691027 0.468919 0.240598 F\n0.308973 0.531081 0.759402 F\n0.454548 0.880458 0.641398 F\n0.804199 0.255692 0.522761 F\n0.761711 0.000778 0.240616 F\n0.954548 0.119542 0.858602 F\n0.449898 0.331486 0.134751 F\n0.191027 0.531081 0.259402 F\n0.051316 0.101461 0.380416 F\n0.551316 0.898539 0.119584 F\n0.261711 0.999222 0.259384 F\n0.958053 0.387965 0.113136 F\n0.545452 0.119542 0.358602 F\n0.045452 0.880458 0.141398 F\n0.238289 0.999222 0.759384 F\n0.948684 0.898539 0.619584 F\n0.458053 0.612035 0.386864 F\n0.949898 0.668514 0.365249 F\n0.041947 0.612035 0.886864 F\n0.738289 0.000778 0.740616 F\n0.541947 0.387965 0.613136 F\n0.304199 0.744308 0.977239 F\n0.195801 0.744308 0.477239 F\n0.695801 0.255692 0.022761 F\n0.550102 0.668514 0.865249 F\n0.808973 0.468919 0.740598 F\n",
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"formula_full": "Ba4 Ta4 F28",
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{
"id": "mp-1412249",
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"structure_string": "La2 Mg1 Ti1 O6\n1.0\n4.810665 -2.816952 0.000000\n4.810665 2.816952 0.000000\n3.161160 0.000000 4.591817\nLa Mg Ti O\n2 1 1 6\ndirect\n0.750394 0.750394 0.750394 La\n0.249606 0.249606 0.249606 La\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ti\n0.759299 0.317096 0.170066 O\n0.170066 0.759299 0.317096 O\n0.317096 0.170066 0.759299 O\n0.240701 0.682904 0.829934 O\n0.682904 0.829934 0.240701 O\n0.829934 0.240701 0.682904 O\n",
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{
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"structure_string": "Li14 Mn10 O24\n1.0\n5.575105 -0.027323 -2.268540\n0.675220 6.130864 4.507291\n4.683835 -6.132206 6.250359\nLi Mn O\n14 10 24\ndirect\n0.169221 0.665768 0.002740 Li\n0.669698 0.165756 0.502721 Li\n0.677924 0.422449 0.755451 Li\n0.178188 0.922629 0.255511 Li\n0.151302 0.406945 0.744506 Li\n0.651137 0.906815 0.244354 Li\n0.848380 0.586760 0.244281 Li\n0.348464 0.086637 0.744148 Li\n0.503108 0.755507 0.761037 Li\n0.003349 0.255546 0.261102 Li\n0.995621 0.740251 0.749158 Li\n0.495697 0.240265 0.249039 Li\n0.320043 0.583716 0.243163 Li\n0.820107 0.083714 0.743141 Li\n0.168694 0.166607 0.500230 Mn\n0.496833 0.496794 0.497811 Mn\n0.832798 0.837477 0.501478 Mn\n0.490418 0.996687 0.996875 Mn\n0.842693 0.340717 0.002718 Mn\n0.668497 0.666517 0.000093 Mn\n0.996576 0.996885 0.997698 Mn\n0.332610 0.337430 0.001411 Mn\n0.990674 0.496767 0.497046 Mn\n0.342632 0.840616 0.502750 Mn\n0.893009 0.790467 0.105637 O\n0.393351 0.290604 0.605861 O\n0.444826 0.545808 0.893270 O\n0.945318 0.045952 0.393409 O\n0.608540 0.468605 0.118404 O\n0.108685 0.968808 0.618502 O\n0.726743 0.867103 0.883324 O\n0.227066 0.367139 0.383426 O\n0.268414 0.122743 0.115655 O\n0.768689 0.622739 0.615749 O\n0.063976 0.207449 0.884892 O\n0.564168 0.707426 0.384962 O\n0.432939 0.797785 0.112875 O\n0.933267 0.297856 0.612993 O\n0.903613 0.543881 0.884859 O\n0.403913 0.044060 0.384856 O\n0.098352 0.445633 0.121021 O\n0.598509 0.945671 0.621049 O\n0.762588 0.394150 0.392361 O\n0.262237 0.894096 0.892215 O\n0.733877 0.115839 0.103748 O\n0.234237 0.615926 0.603891 O\n0.564366 0.200515 0.884219 O\n0.064651 0.700488 0.384360 O\n",
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{
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"structure_string": "Ca3 P1 N1\n1.0\n4.725532 0.000000 0.000000\n0.000000 4.725532 0.000000\n0.000000 0.000000 4.725532\nCa P N\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.500000 N\n",
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{
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{
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{
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{
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