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{
"id": "mp-1258196",
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"structure_string": "Si34 O68\n1.0\n13.934356 0.000130 0.000713\n-6.964736 12.072958 -0.001379\n0.000032 0.000089 11.323833\nSi O\n34 68\ndirect\n0.450945 0.223343 0.244322 Si\n0.813945 0.205062 0.242335 Si\n0.832468 0.586465 0.243260 Si\n0.614541 0.784801 0.245383 Si\n0.251252 0.803605 0.241698 Si\n0.232549 0.421380 0.242836 Si\n0.613814 0.785968 0.785233 Si\n0.249983 0.804146 0.787083 Si\n0.231916 0.423404 0.788874 Si\n0.451500 0.221849 0.786179 Si\n0.815300 0.203977 0.786457 Si\n0.833889 0.585803 0.788236 Si\n0.426048 0.015188 0.374035 Si\n0.021074 0.385933 0.374684 Si\n0.651328 0.610270 0.377203 Si\n0.640423 0.993198 0.374731 Si\n0.044487 0.623215 0.375002 Si\n0.413708 0.397571 0.377448 Si\n0.640163 0.992983 0.653501 Si\n0.044548 0.622656 0.654147 Si\n0.414266 0.397587 0.657208 Si\n0.425643 0.014991 0.653426 Si\n0.020951 0.385488 0.653589 Si\n0.651625 0.610519 0.656528 Si\n0.300143 0.120291 0.014567 Si\n0.916234 0.154133 0.015153 Si\n0.881807 0.738854 0.016035 Si\n0.763863 0.887509 0.014712 Si\n0.147901 0.853989 0.014884 Si\n0.182211 0.268802 0.015817 Si\n0.367229 0.669892 0.157893 Si\n0.698481 0.338219 0.157355 Si\n0.699710 0.337162 0.872485 Si\n0.366282 0.671592 0.873284 Si\n0.395769 0.290774 0.302313 O\n0.745826 0.081326 0.297404 O\n0.956093 0.640730 0.298428 O\n0.670114 0.716868 0.301113 O\n0.320353 0.927329 0.296774 O\n0.108972 0.367850 0.297909 O\n0.749317 0.583958 0.345299 O\n0.896866 0.287859 0.343121 O\n0.451969 0.139462 0.343173 O\n0.315708 0.423651 0.344693 O\n0.168451 0.721588 0.343044 O\n0.616247 0.869291 0.345190 O\n0.669344 0.716848 0.732468 O\n0.319579 0.926817 0.729848 O\n0.109672 0.368732 0.730289 O\n0.395846 0.290517 0.732286 O\n0.745614 0.080604 0.730994 O\n0.956942 0.640797 0.731448 O\n0.317121 0.424640 0.690354 O\n0.169163 0.719871 0.685943 O\n0.616002 0.869055 0.683293 O\n0.750357 0.585377 0.688069 O\n0.897003 0.286711 0.684908 O\n0.450815 0.139008 0.684811 O\n0.377895 0.153837 0.131371 O\n0.884285 0.203549 0.129013 O\n0.834074 0.661337 0.132843 O\n0.685283 0.853629 0.130953 O\n0.180733 0.805214 0.128605 O\n0.230218 0.345652 0.132995 O\n0.684338 0.856228 0.899307 O\n0.176615 0.807453 0.896449 O\n0.227278 0.349588 0.901437 O\n0.380100 0.151040 0.899585 O\n0.887722 0.201580 0.897283 O\n0.836714 0.658708 0.901021 O\n0.577748 0.311078 0.205801 O\n0.726812 0.245246 0.204996 O\n0.792681 0.460280 0.201715 O\n0.486760 0.697290 0.210244 O\n0.337234 0.762266 0.203448 O\n0.272524 0.547411 0.200537 O\n0.485630 0.699496 0.819900 O\n0.335921 0.764595 0.831039 O\n0.271157 0.549960 0.828686 O\n0.579064 0.308881 0.822688 O\n0.729168 0.244324 0.827265 O\n0.793793 0.458863 0.827043 O\n0.397996 0.991317 0.513687 O\n0.044893 0.381059 0.514117 O\n0.655757 0.637985 0.516845 O\n0.668502 0.018557 0.514154 O\n0.021194 0.628144 0.514632 O\n0.408618 0.370420 0.517294 O\n0.532714 0.003155 0.339770 O\n0.033038 0.504706 0.341195 O\n0.532494 0.503903 0.343035 O\n0.532471 0.003243 0.688062 O\n0.031566 0.503518 0.687490 O\n0.533510 0.503435 0.691236 O\n0.214645 0.988090 0.016258 O\n0.048025 0.197940 0.017822 O\n0.834294 0.823760 0.012445 O\n0.848701 0.019950 0.016317 O\n0.015987 0.809376 0.017995 O\n0.230037 0.184262 0.011096 O\n0.373606 0.672769 0.015546 O\n0.696312 0.336035 0.014910 O\n",
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"spacegroup": 3
},
{
"id": "mp-504276",
"created_at": "2022-09-04T14:41:56.756303Z",
"structure_string": "Fe4 P4 O16\n1.0\n5.350552 0.000000 0.000000\n0.000000 8.735125 0.000000\n0.000000 2.684690 8.383844\nFe P O\n4 4 16\ndirect\n0.306909 0.224043 0.129849 Fe\n0.805107 0.367927 0.629699 Fe\n0.693091 0.724043 0.129849 Fe\n0.194893 0.867927 0.629699 Fe\n0.692279 0.992500 0.758154 P\n0.803735 0.347976 0.257372 P\n0.307721 0.492500 0.758154 P\n0.196265 0.847976 0.257372 P\n0.229321 0.013539 0.128919 O\n0.422251 0.001829 0.693503 O\n0.628760 0.224667 0.217368 O\n0.076221 0.288924 0.260448 O\n0.763719 0.158875 0.773429 O\n0.737289 0.363939 0.422357 O\n0.770679 0.513539 0.128919 O\n0.287204 0.366353 0.923129 O\n0.129643 0.446896 0.640284 O\n0.577749 0.501829 0.693503 O\n0.371240 0.724667 0.217368 O\n0.923779 0.788924 0.260448 O\n0.236281 0.658875 0.773429 O\n0.262711 0.863939 0.422357 O\n0.712796 0.866353 0.923129 O\n0.870357 0.946896 0.640284 O\n",
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"formula_full": "Fe4 P4 O16",
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{
"id": "mp-647305",
"created_at": "2022-09-04T14:41:49.250234Z",
"structure_string": "Si16 Ag80 Cl16 O64\n1.0\n12.987150 0.005763 0.000000\n-6.227495 11.442640 0.000000\n0.000000 0.000000 19.458328\nSi Ag Cl O\n16 80 16 64\ndirect\n0.677514 0.576609 0.608580 Si\n0.317241 0.930842 0.101812 Si\n0.817241 0.930842 0.398188 Si\n0.177514 0.576609 0.891420 Si\n0.564204 0.679513 0.102645 Si\n0.064204 0.679513 0.397355 Si\n0.682759 0.069158 0.898188 Si\n0.935796 0.320487 0.602645 Si\n0.569264 0.171190 0.394118 Si\n0.822486 0.423391 0.108580 Si\n0.322486 0.423391 0.391420 Si\n0.182759 0.069158 0.601812 Si\n0.430736 0.828810 0.605882 Si\n0.069264 0.171190 0.105882 Si\n0.930736 0.828810 0.894118 Si\n0.435796 0.320487 0.897355 Si\n0.580259 0.926242 0.751997 Ag\n0.501453 0.332495 0.292168 Ag\n0.553878 0.701231 0.393630 Ag\n0.056012 0.943441 0.462948 Ag\n0.946122 0.298769 0.893630 Ag\n0.558715 0.942566 0.463435 Ag\n0.449141 0.570317 0.533479 Ag\n0.074022 0.432572 0.747596 Ag\n0.332039 0.206684 0.056176 Ag\n0.047338 0.422367 0.452377 Ag\n0.452662 0.577633 0.952377 Ag\n0.181516 0.800461 0.960102 Ag\n0.318484 0.199539 0.460102 Ag\n0.080259 0.926242 0.748003 Ag\n0.193423 0.250462 0.257259 Ag\n0.815801 0.453915 0.700204 Ag\n0.941285 0.057434 0.963435 Ag\n0.184199 0.546085 0.299796 Ag\n0.693423 0.250462 0.242741 Ag\n0.681516 0.800461 0.539898 Ag\n0.456923 0.832882 0.199394 Ag\n0.296800 0.941765 0.399346 Ag\n0.796800 0.941765 0.100654 Ag\n0.446832 0.805225 0.902148 Ag\n0.704952 0.309592 0.533336 Ag\n0.425978 0.567428 0.247596 Ag\n0.354257 0.005860 0.702160 Ag\n0.058715 0.942566 0.036565 Ag\n0.732445 0.806046 0.241586 Ag\n0.043077 0.167118 0.699394 Ag\n0.001453 0.332495 0.207832 Ag\n0.446122 0.298769 0.606370 Ag\n0.767555 0.193954 0.741586 Ag\n0.553168 0.194775 0.097852 Ag\n0.574022 0.432572 0.752404 Ag\n0.203200 0.058235 0.899346 Ag\n0.998547 0.667505 0.792168 Ag\n0.498547 0.667505 0.707832 Ag\n0.791499 0.441551 0.396371 Ag\n0.795048 0.690408 0.033336 Ag\n0.315801 0.453915 0.799796 Ag\n0.952662 0.577633 0.547623 Ag\n0.667961 0.793317 0.943824 Ag\n0.232445 0.806046 0.258414 Ag\n0.767734 0.660435 0.446676 Ag\n0.053878 0.701231 0.106370 Ag\n0.291499 0.441551 0.103629 Ag\n0.919741 0.073758 0.251997 Ag\n0.419741 0.073758 0.248003 Ag\n0.684199 0.546085 0.200204 Ag\n0.306577 0.749538 0.757259 Ag\n0.050859 0.429683 0.033479 Ag\n0.167961 0.793317 0.556176 Ag\n0.550859 0.429683 0.466521 Ag\n0.145743 0.994140 0.202160 Ag\n0.556012 0.943441 0.037052 Ag\n0.053168 0.194775 0.402148 Ag\n0.543077 0.167118 0.800606 Ag\n0.832039 0.206684 0.443824 Ag\n0.956923 0.832882 0.300606 Ag\n0.806577 0.749538 0.742741 Ag\n0.547338 0.422367 0.047623 Ag\n0.232266 0.339565 0.553324 Ag\n0.267734 0.660435 0.053324 Ag\n0.204952 0.309592 0.966664 Ag\n0.854257 0.005860 0.797840 Ag\n0.208501 0.558449 0.603629 Ag\n0.943988 0.056559 0.537052 Ag\n0.708501 0.558449 0.896371 Ag\n0.946832 0.805225 0.597852 Ag\n0.295048 0.690408 0.466664 Ag\n0.818484 0.199539 0.039898 Ag\n0.703200 0.058235 0.600654 Ag\n0.443988 0.056559 0.962948 Ag\n0.267555 0.193954 0.758414 Ag\n0.925978 0.567428 0.252404 Ag\n0.441285 0.057434 0.536565 Ag\n0.645743 0.994140 0.297840 Ag\n0.732266 0.339565 0.946676 Ag\n0.949141 0.570317 0.966521 Ag\n0.906904 0.802450 0.174754 Cl\n0.673466 0.073431 0.178093 Cl\n0.826534 0.926569 0.678093 Cl\n0.329092 0.424498 0.670820 Cl\n0.931662 0.340718 0.327754 Cl\n0.568338 0.659282 0.827754 Cl\n0.593096 0.197550 0.674754 Cl\n0.326534 0.926569 0.821907 Cl\n0.170908 0.575502 0.170820 Cl\n0.431662 0.340718 0.172246 Cl\n0.173466 0.073431 0.321907 Cl\n0.068338 0.659282 0.672246 Cl\n0.093096 0.197550 0.825246 Cl\n0.406904 0.802450 0.325246 Cl\n0.829092 0.424498 0.829180 Cl\n0.670908 0.575502 0.329180 Cl\n0.934399 0.603709 0.433988 O\n0.596710 0.644997 0.608548 O\n0.360004 0.393467 0.900707 O\n0.702623 0.347620 0.062052 O\n0.096710 0.644997 0.891452 O\n0.697889 0.858110 0.350658 O\n0.302111 0.141890 0.649342 O\n0.142856 0.096653 0.101964 O\n0.890770 0.554463 0.073084 O\n0.197889 0.858110 0.149342 O\n0.297377 0.652380 0.937948 O\n0.860004 0.393467 0.599293 O\n0.434399 0.603709 0.066012 O\n0.797377 0.652380 0.562052 O\n0.142788 0.292696 0.151157 O\n0.636880 0.803964 0.059657 O\n0.719167 0.046231 0.976114 O\n0.065601 0.396291 0.566012 O\n0.863120 0.196036 0.559657 O\n0.607256 0.940105 0.860488 O\n0.202623 0.347620 0.437948 O\n0.546835 0.208532 0.472230 O\n0.892744 0.059895 0.360488 O\n0.780833 0.953769 0.476114 O\n0.059203 0.905125 0.856272 O\n0.049830 0.708988 0.315946 O\n0.392243 0.857870 0.096581 O\n0.107757 0.142130 0.596581 O\n0.559203 0.905125 0.643728 O\n0.363120 0.196036 0.940343 O\n0.357212 0.707304 0.651157 O\n0.711242 0.564177 0.689118 O\n0.609230 0.445537 0.573084 O\n0.549830 0.708988 0.184054 O\n0.139996 0.606533 0.400707 O\n0.288758 0.435823 0.310882 O\n0.046835 0.208532 0.027770 O\n0.450170 0.291012 0.815946 O\n0.219167 0.046231 0.523886 O\n0.109230 0.445537 0.926916 O\n0.390770 0.554463 0.426916 O\n0.788758 0.435823 0.189118 O\n0.642856 0.096653 0.398036 O\n0.857144 0.903347 0.898036 O\n0.453165 0.791468 0.527770 O\n0.639996 0.606533 0.099293 O\n0.950170 0.291012 0.684054 O\n0.607757 0.142130 0.903419 O\n0.440797 0.094875 0.356272 O\n0.940797 0.094875 0.143728 O\n0.357144 0.903347 0.601964 O\n0.280833 0.953769 0.023886 O\n0.903290 0.355003 0.108548 O\n0.211242 0.564177 0.810882 O\n0.857212 0.707304 0.848843 O\n0.802111 0.141890 0.850658 O\n0.642788 0.292696 0.348843 O\n0.392744 0.059895 0.139512 O\n0.565601 0.396291 0.933988 O\n0.892243 0.857870 0.403419 O\n0.107256 0.940105 0.639512 O\n0.953165 0.791468 0.972230 O\n0.136880 0.803964 0.440343 O\n0.403290 0.355003 0.391452 O\n",
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"formula_full": "Si16 Ag80 Cl16 O64",
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"spacegroup": 14
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{
"id": "mp-695850",
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"structure_string": "Cd1 Cl2\n1.0\n1.956762 3.399917 0.000000\n-1.956762 3.399917 0.000000\n0.000000 0.727766 6.283038\nCd Cl\n1 2\ndirect\n0.500000 0.500000 0.500000 Cd\n0.193915 0.193915 0.271126 Cl\n0.806085 0.806085 0.728874 Cl\n",
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{
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"structure_string": "C8 Cl24\n1.0\n6.649382 0.000000 0.000000\n0.000000 10.551708 0.000000\n0.000000 0.000000 11.889427\nC Cl\n8 24\ndirect\n0.786639 0.750000 0.611124 C\n0.213361 0.250000 0.388876 C\n0.286639 0.250000 0.888876 C\n0.713361 0.750000 0.111124 C\n0.020838 0.750000 0.640343 C\n0.979162 0.250000 0.359657 C\n0.520838 0.250000 0.859657 C\n0.479162 0.750000 0.140343 C\n0.081545 0.612630 0.719949 Cl\n0.918455 0.387370 0.280051 Cl\n0.581545 0.387370 0.780051 Cl\n0.918455 0.112630 0.280051 Cl\n0.418455 0.612630 0.219949 Cl\n0.081545 0.887370 0.719949 Cl\n0.418455 0.887370 0.219949 Cl\n0.581545 0.112630 0.780051 Cl\n0.726867 0.612460 0.531444 Cl\n0.273133 0.387540 0.468556 Cl\n0.226867 0.387540 0.968556 Cl\n0.273133 0.112460 0.468556 Cl\n0.773133 0.612460 0.031444 Cl\n0.726867 0.887540 0.531444 Cl\n0.773133 0.887540 0.031444 Cl\n0.226867 0.112460 0.968556 Cl\n0.162726 0.750000 0.513373 Cl\n0.837274 0.250000 0.486627 Cl\n0.662726 0.250000 0.986627 Cl\n0.337274 0.750000 0.013373 Cl\n0.644775 0.750000 0.737641 Cl\n0.355225 0.250000 0.262359 Cl\n0.144775 0.250000 0.762359 Cl\n0.855225 0.750000 0.237641 Cl\n",
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{
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