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{
"id": "mp-1203936",
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"structure_string": "Er2 C16 N8 Cl14\n1.0\n8.491424 0.000000 0.000000\n0.000000 8.946294 0.000000\n0.000000 0.000000 13.852231\nEr C N Cl\n2 16 8 14\ndirect\n0.361677 0.500000 0.500000 Er\n0.638323 0.000000 0.000000 Er\n0.118612 0.269299 0.675941 C\n0.118612 0.730701 0.324059 C\n0.881388 0.230701 0.175941 C\n0.881388 0.769299 0.824059 C\n0.944162 0.214235 0.535423 C\n0.944162 0.785765 0.464577 C\n0.055838 0.285765 0.035423 C\n0.055838 0.714235 0.964577 C\n0.381458 0.676732 0.156078 C\n0.381458 0.323268 0.843922 C\n0.618542 0.823268 0.656078 C\n0.618542 0.176732 0.343922 C\n0.657293 0.579154 0.172888 C\n0.657293 0.420846 0.827112 C\n0.342707 0.920846 0.672888 C\n0.342707 0.079154 0.327112 C\n0.042435 0.228401 0.604132 N\n0.042435 0.771599 0.395868 N\n0.957565 0.271599 0.104132 N\n0.957565 0.728401 0.895868 N\n0.532534 0.639024 0.157435 N\n0.532534 0.360976 0.842565 N\n0.467466 0.860976 0.657435 N\n0.467466 0.139024 0.342565 N\n0.399361 0.268251 0.609533 Cl\n0.399361 0.731749 0.390467 Cl\n0.600639 0.231749 0.109533 Cl\n0.600639 0.768251 0.890467 Cl\n0.644160 0.361982 0.382603 Cl\n0.644160 0.638018 0.617397 Cl\n0.355840 0.138018 0.882603 Cl\n0.355840 0.861982 0.117397 Cl\n0.169531 0.382567 0.391251 Cl\n0.169531 0.617433 0.608749 Cl\n0.830469 0.117433 0.891251 Cl\n0.830469 0.882567 0.108749 Cl\n0.908936 0.000000 0.500000 Cl\n0.091064 0.500000 0.000000 Cl\n",
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{
"id": "mp-1219232",
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"structure_string": "Sm2 Cr2 Fe15 C2\n1.0\n4.314729 4.841957 0.000000\n-4.314729 4.841957 0.000000\n0.000000 0.985752 6.423366\nSm Cr Fe C\n2 2 15 2\ndirect\n0.350960 0.350960 0.335486 Sm\n0.649040 0.649040 0.664514 Sm\n0.086011 0.086011 0.086807 Cr\n0.913989 0.913989 0.913193 Cr\n0.717810 0.282190 0.000000 Fe\n0.284945 0.003010 0.712423 Fe\n0.996990 0.715055 0.287577 Fe\n0.715055 0.996990 0.287577 Fe\n0.003010 0.284945 0.712423 Fe\n0.282190 0.717810 0.000000 Fe\n0.144602 0.657092 0.661289 Fe\n0.656963 0.656963 0.143464 Fe\n0.657092 0.144602 0.661289 Fe\n0.855398 0.342908 0.338711 Fe\n0.343037 0.343037 0.856536 Fe\n0.342908 0.855398 0.338711 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 C\n0.000000 0.500000 0.500000 C\n",
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{
"id": "mp-1212166",
"created_at": "2022-09-04T14:47:13.570261Z",
"structure_string": "Li2 Eu2 W4 O16\n1.0\n5.930097 0.000000 0.000000\n0.000000 5.150122 0.000000\n0.000000 4.283865 10.227759\nLi Eu W O\n2 2 4 16\ndirect\n0.692264 0.000000 0.750000 Li\n0.307736 0.000000 0.250000 Li\n0.308824 0.500000 0.750000 Eu\n0.691176 0.500000 0.250000 Eu\n0.829031 0.736693 0.514278 W\n0.170969 0.263307 0.485722 W\n0.829031 0.263307 0.985722 W\n0.170969 0.736693 0.014278 W\n0.895463 0.857110 0.094590 O\n0.104537 0.142890 0.905410 O\n0.895463 0.142890 0.405410 O\n0.104537 0.857110 0.594590 O\n0.371382 0.725346 0.889219 O\n0.628618 0.274654 0.110781 O\n0.371382 0.274654 0.610781 O\n0.628618 0.725346 0.389219 O\n0.913077 0.645071 0.889971 O\n0.086923 0.354929 0.110029 O\n0.913077 0.354929 0.610029 O\n0.086923 0.645071 0.389971 O\n0.631809 0.773637 0.632886 O\n0.368191 0.226363 0.367114 O\n0.631809 0.226363 0.867114 O\n0.368191 0.773637 0.132886 O\n",
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"formula_full": "Li2 Eu2 W4 O16",
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{
"id": "mp-1110978",
"created_at": "2022-09-04T14:47:14.571190Z",
"structure_string": "Cs2 Cu1 Bi1 F6\n1.0\n0.000000 4.599599 4.599599\n4.599599 0.000000 4.599599\n4.599599 4.599599 0.000000\nCs Cu Bi F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Bi\n0.749219 0.250781 0.250781 F\n0.250781 0.250781 0.749219 F\n0.250781 0.749219 0.749219 F\n0.250781 0.749219 0.250781 F\n0.749219 0.250781 0.749219 F\n0.749219 0.749219 0.250781 F\n",
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{
"id": "mp-1175265",
"created_at": "2022-09-04T14:47:14.011848Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n4.298139 4.861876 0.000000\n-4.298139 4.861876 0.000000\n0.000000 0.707280 5.200380\nLi Mn Co O\n7 4 1 12\ndirect\n0.085142 0.418070 0.749966 Li\n0.581930 0.914858 0.250034 Li\n0.920615 0.591799 0.256689 Li\n0.408201 0.079385 0.743311 Li\n0.750479 0.746233 0.748862 Li\n0.253767 0.249521 0.251138 Li\n0.168282 0.831718 0.500000 Li\n0.001317 0.998683 0.000000 Mn\n0.333482 0.666518 0.000000 Mn\n0.834975 0.165025 0.500000 Mn\n0.665715 0.334285 0.000000 Mn\n0.498261 0.501739 0.500000 Co\n0.951732 0.281663 0.107364 O\n0.449534 0.763521 0.648987 O\n0.780651 0.453022 0.605737 O\n0.282705 0.948415 0.103155 O\n0.614421 0.618387 0.108485 O\n0.100423 0.116623 0.652633 O\n0.236479 0.550466 0.351013 O\n0.718337 0.048268 0.892636 O\n0.051585 0.717295 0.896845 O\n0.546978 0.219349 0.394263 O\n0.883377 0.899577 0.347367 O\n0.381613 0.385579 0.891515 O\n",
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{
"id": "mp-24610",
"created_at": "2022-09-04T14:47:05.450012Z",
"structure_string": "Li4 P4 H8 O16\n1.0\n6.393773 0.000000 0.000000\n0.000000 6.926108 0.000000\n0.000000 0.000000 7.701952\nLi P H O\n4 4 8 16\ndirect\n0.013081 0.504545 0.727195 Li\n0.513081 0.504545 0.772805 Li\n0.486919 0.004545 0.227195 Li\n0.986919 0.004545 0.272805 Li\n0.198670 0.678138 0.071065 P\n0.801330 0.178138 0.928935 P\n0.301330 0.178138 0.571065 P\n0.698670 0.678138 0.428935 P\n0.037671 0.391021 0.140025 H\n0.962329 0.891021 0.859975 H\n0.462329 0.891021 0.640025 H\n0.537671 0.391021 0.359975 H\n0.988416 0.064586 0.612327 H\n0.011584 0.564586 0.387673 H\n0.488416 0.064586 0.887673 H\n0.511584 0.564586 0.112327 H\n0.727272 0.854386 0.315615 O\n0.076856 0.099059 0.508233 O\n0.931267 0.200929 0.092597 O\n0.068733 0.700929 0.907403 O\n0.923144 0.599059 0.491767 O\n0.568733 0.700929 0.592597 O\n0.576856 0.099059 0.991767 O\n0.423144 0.599059 0.008233 O\n0.605886 0.512906 0.306193 O\n0.394114 0.012906 0.693807 O\n0.894114 0.012906 0.806193 O\n0.105886 0.512906 0.193807 O\n0.772728 0.354386 0.815615 O\n0.272728 0.354386 0.684385 O\n0.431267 0.200929 0.407403 O\n0.227272 0.854386 0.184385 O\n",
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"formula_full": "Li4 P4 H8 O16",
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{
"id": "mp-1228714",
"created_at": "2022-09-04T14:47:11.039295Z",
"structure_string": "Ba2 In16 Ni4 O30\n1.0\n6.224254 5.618422 0.000000\n-6.224254 5.618422 0.000000\n0.000000 0.000000 10.071080\nBa In Ni O\n2 16 4 30\ndirect\n0.526480 0.526480 0.519362 Ba\n0.973520 0.973520 0.019362 Ba\n0.045628 0.783049 0.648708 In\n0.211911 0.950030 0.351759 In\n0.716951 0.454372 0.148708 In\n0.549970 0.288089 0.851759 In\n0.950030 0.211911 0.351759 In\n0.783049 0.045628 0.648708 In\n0.288089 0.549970 0.851759 In\n0.454372 0.716951 0.148708 In\n0.189641 0.189641 0.638959 In\n0.813782 0.813782 0.363436 In\n0.310359 0.310359 0.138959 In\n0.686218 0.686218 0.863436 In\n0.400237 0.925162 0.887571 In\n0.574838 0.099763 0.387571 In\n0.925162 0.400237 0.887571 In\n0.099763 0.574838 0.387571 In\n0.083052 0.593818 0.112956 Ni\n0.906182 0.416948 0.612956 Ni\n0.593818 0.083052 0.112956 Ni\n0.416948 0.906182 0.612956 Ni\n0.506562 0.506562 0.996270 O\n0.993438 0.993438 0.496270 O\n0.608196 0.866188 0.007407 O\n0.144615 0.402620 0.996362 O\n0.633812 0.891804 0.507407 O\n0.097380 0.355385 0.496362 O\n0.402620 0.144615 0.996362 O\n0.866188 0.608196 0.007407 O\n0.355385 0.097380 0.496362 O\n0.891804 0.633812 0.507407 O\n0.859032 0.859032 0.773889 O\n0.138474 0.138474 0.227199 O\n0.640968 0.640968 0.273889 O\n0.361526 0.361526 0.727199 O\n0.251488 0.745710 0.000544 O\n0.754290 0.248512 0.500544 O\n0.745710 0.251488 0.000544 O\n0.248512 0.754290 0.500544 O\n0.066584 0.559146 0.744764 O\n0.433416 0.940854 0.244764 O\n0.940854 0.433416 0.244764 O\n0.559146 0.066584 0.744764 O\n0.721829 0.463536 0.752887 O\n0.538919 0.280354 0.237485 O\n0.036464 0.778171 0.252887 O\n0.219646 0.961081 0.737485 O\n0.280354 0.538919 0.237485 O\n0.463536 0.721829 0.752887 O\n0.961081 0.219646 0.737485 O\n0.778171 0.036464 0.252887 O\n",
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"formula_full": "Ba2 In16 Ni4 O30",
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{
"id": "mp-1364886",
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"structure_string": "Li20 Zn2 P8 S32\n1.0\n10.236028 0.000000 0.000000\n-1.984103 10.051963 0.000000\n-4.085762 -5.040718 12.399537\nLi Zn P S\n20 2 8 32\ndirect\n0.222509 0.977967 0.493964 Li\n0.715314 0.470502 0.501560 Li\n0.956356 0.724087 0.997649 Li\n0.467617 0.230324 0.002299 Li\n0.167236 0.909881 0.250589 Li\n0.648161 0.396537 0.250558 Li\n0.412985 0.162819 0.748664 Li\n0.476153 0.711827 0.500393 Li\n0.980497 0.218627 0.495320 Li\n0.717507 0.964672 0.002354 Li\n0.402192 0.651876 0.249339 Li\n0.908423 0.159176 0.253881 Li\n0.160216 0.411564 0.748764 Li\n0.655360 0.911534 0.742497 Li\n0.804271 0.803065 0.243381 Li\n0.054067 0.060268 0.742583 Li\n0.082008 0.574408 0.489378 Li\n0.575757 0.078982 0.492162 Li\n0.823517 0.322790 0.001568 Li\n0.328110 0.832361 0.993703 Li\n0.901048 0.652582 0.746125 Zn\n0.225368 0.468627 0.001457 Zn\n0.339587 0.338329 0.500233 P\n0.845586 0.837293 0.499809 P\n0.095682 0.092067 0.002412 P\n0.580247 0.593298 0.997981 P\n0.537174 0.028167 0.249758 P\n0.033110 0.540380 0.243240 P\n0.279763 0.778447 0.749204 P\n0.781377 0.283977 0.751019 P\n0.052636 0.829321 0.447584 S\n0.549338 0.333287 0.446621 S\n0.792452 0.581127 0.937863 S\n0.302686 0.087877 0.945355 S\n0.390609 0.094583 0.195154 S\n0.876904 0.598156 0.191310 S\n0.120054 0.843303 0.698498 S\n0.635871 0.350381 0.696857 S\n0.334312 0.547403 0.446329 S\n0.834367 0.043683 0.450417 S\n0.087501 0.303956 0.946807 S\n0.582896 0.803585 0.940009 S\n0.601327 0.873724 0.196842 S\n0.102101 0.387566 0.190290 S\n0.345292 0.632162 0.696831 S\n0.853702 0.137045 0.693813 S\n0.507044 0.507521 0.159294 S\n0.016260 0.013756 0.167271 S\n0.263891 0.263823 0.667459 S\n0.753678 0.750348 0.667544 S\n0.448104 0.939117 0.416777 S\n0.944954 0.444151 0.409164 S\n0.187194 0.691326 0.919759 S\n0.696324 0.196913 0.917348 S\n0.726064 0.719647 0.441723 S\n0.224801 0.221943 0.441765 S\n0.467439 0.479468 0.931586 S\n0.972250 0.978786 0.943813 S\n0.209603 0.715540 0.192489 S\n0.715411 0.204897 0.199002 S\n0.965039 0.464741 0.696014 S\n0.448813 0.960560 0.697062 S\n",
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}