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{
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"results": [
{
"id": "mp-1198968",
"created_at": "2022-09-04T14:43:12.808879Z",
"structure_string": "Be8 P8 Pb4 O32\n1.0\n9.124960 0.000000 0.000000\n0.000000 8.178792 0.000000\n0.000000 0.016271 8.493853\nBe P Pb O\n8 8 4 32\ndirect\n0.193689 0.423454 0.064057 Be\n0.693689 0.576546 0.435943 Be\n0.806311 0.576546 0.935943 Be\n0.306311 0.423454 0.564057 Be\n0.418244 0.927606 0.273314 Be\n0.918244 0.072394 0.226686 Be\n0.581756 0.072394 0.726686 Be\n0.081756 0.927606 0.773314 Be\n0.913290 0.436131 0.231285 P\n0.413290 0.563869 0.268715 P\n0.086710 0.563869 0.768715 P\n0.586710 0.436131 0.731285 P\n0.196804 0.066119 0.067515 P\n0.696804 0.933881 0.432485 P\n0.803196 0.933881 0.932485 P\n0.303196 0.066119 0.567515 P\n0.592746 0.243669 0.106074 Pb\n0.092746 0.756331 0.393926 Pb\n0.407254 0.756331 0.893926 Pb\n0.907254 0.243669 0.606074 Pb\n0.073217 0.482556 0.196334 O\n0.573217 0.517444 0.303666 O\n0.926783 0.517444 0.803666 O\n0.426783 0.482556 0.696334 O\n0.815421 0.444890 0.083097 O\n0.315421 0.555110 0.416903 O\n0.184579 0.555110 0.916903 O\n0.684579 0.444890 0.583097 O\n0.898108 0.258654 0.299509 O\n0.398108 0.741346 0.200491 O\n0.101892 0.741346 0.700491 O\n0.601892 0.258654 0.799509 O\n0.360735 0.446188 0.136755 O\n0.860735 0.553812 0.363245 O\n0.639265 0.553812 0.863245 O\n0.139265 0.446188 0.636755 O\n0.357057 0.046372 0.130355 O\n0.857057 0.953628 0.369645 O\n0.642943 0.953628 0.869645 O\n0.142943 0.046372 0.630355 O\n0.820675 0.062196 0.067057 O\n0.320675 0.937804 0.432943 O\n0.179325 0.937804 0.932943 O\n0.679325 0.062196 0.567057 O\n0.588010 0.979712 0.297827 O\n0.088010 0.020288 0.202173 O\n0.411990 0.020288 0.702173 O\n0.911990 0.979712 0.797827 O\n0.169224 0.238551 0.004990 O\n0.669224 0.761449 0.495010 O\n0.830776 0.761449 0.995010 O\n0.330776 0.238551 0.504990 O\n",
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"P",
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"O"
],
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"density_atomic": 0.08203108770831667,
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"updated_at": "2021-11-28T01:35:56.130000Z",
"spacegroup": 14
},
{
"id": "mp-28314",
"created_at": "2022-09-04T14:43:05.724775Z",
"structure_string": "Ba14 Ga8 Sb18\n1.0\n7.224715 0.000000 0.000000\n0.000000 10.987572 0.000000\n0.000000 0.000000 18.385337\nBa Ga Sb\n14 8 18\ndirect\n0.923645 0.500000 0.000000 Ba\n0.076355 0.000000 0.500000 Ba\n0.457519 0.270983 0.375531 Ba\n0.457519 0.729017 0.624469 Ba\n0.542481 0.770983 0.124469 Ba\n0.542481 0.229017 0.875531 Ba\n0.542481 0.229017 0.124469 Ba\n0.542481 0.770983 0.875531 Ba\n0.457519 0.729017 0.375531 Ba\n0.457519 0.270983 0.624469 Ba\n0.040957 0.000000 0.213995 Ba\n0.040957 0.000000 0.786005 Ba\n0.959043 0.500000 0.286005 Ba\n0.959043 0.500000 0.713995 Ba\n0.057778 0.180563 0.000000 Ga\n0.057778 0.819437 0.000000 Ga\n0.942222 0.319437 0.500000 Ga\n0.942222 0.680563 0.500000 Ga\n0.741200 0.000000 0.372539 Ga\n0.741200 0.000000 0.627461 Ga\n0.258800 0.500000 0.127461 Ga\n0.258800 0.500000 0.872539 Ga\n0.479367 0.500000 0.757069 Sb\n0.479367 0.500000 0.242931 Sb\n0.954538 0.789792 0.367783 Sb\n0.954538 0.210208 0.632217 Sb\n0.045462 0.289792 0.132217 Sb\n0.045462 0.710208 0.867783 Sb\n0.520633 0.000000 0.257069 Sb\n0.520633 0.000000 0.742931 Sb\n0.211729 0.500000 0.500000 Sb\n0.788271 0.000000 0.000000 Sb\n0.669596 0.500000 0.500000 Sb\n0.330404 0.000000 0.000000 Sb\n0.456188 0.500000 0.000000 Sb\n0.543812 0.000000 0.500000 Sb\n0.954538 0.789792 0.632217 Sb\n0.954538 0.210208 0.367783 Sb\n0.045462 0.289792 0.867783 Sb\n0.045462 0.710208 0.132217 Sb\n",
"nsites": 40,
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"elements": [
"Ba",
"Ga",
"Sb"
],
"chemical_system": "Ba-Ga-Sb",
"density": 5.315716209833522,
"density_atomic": 0.027407280385659052,
"volume": 1459.4662234684959,
"volume_molar": 21.972777580482244,
"formula_full": "Ba14 Ga8 Sb18",
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"formula_anonymous": "A4B7C9",
"energy": -159.40178005,
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"updated_at": "2021-11-28T01:36:09.032000Z",
"spacegroup": 59
},
{
"id": "mp-765351",
"created_at": "2022-09-04T14:43:12.788407Z",
"structure_string": "Li8 Sn16 P16 O60\n1.0\n7.809320 5.159288 0.000000\n-7.809320 5.159288 0.000000\n0.000000 2.019451 20.239674\nLi Sn P O\n8 16 16 60\ndirect\n0.459871 0.028768 0.739411 Li\n0.441526 0.542293 0.902447 Li\n0.457707 0.558474 0.597553 Li\n0.028768 0.459871 0.239411 Li\n0.971232 0.540129 0.760589 Li\n0.542293 0.441526 0.402447 Li\n0.558474 0.457707 0.097553 Li\n0.540129 0.971232 0.260589 Li\n0.904078 0.850121 0.565697 Sn\n0.926976 0.334912 0.936644 Sn\n0.000000 0.500000 0.500000 Sn\n0.850121 0.904078 0.065697 Sn\n0.806056 0.193944 0.750000 Sn\n0.521021 0.478979 0.750000 Sn\n0.024833 0.975167 0.750000 Sn\n0.334912 0.926976 0.436644 Sn\n0.665088 0.073024 0.563356 Sn\n0.975167 0.024833 0.250000 Sn\n0.193944 0.806056 0.250000 Sn\n0.478979 0.521021 0.250000 Sn\n0.149879 0.095922 0.934303 Sn\n0.073024 0.665088 0.063356 Sn\n0.095922 0.149879 0.434303 Sn\n0.500000 0.000000 0.000000 Sn\n0.738870 0.876516 0.895899 P\n0.950538 0.711768 0.887419 P\n0.635743 0.834568 0.678081 P\n0.876516 0.738870 0.395899 P\n0.711768 0.950538 0.387419 P\n0.770226 0.462625 0.627819 P\n0.834568 0.635743 0.178081 P\n0.537375 0.229774 0.872181 P\n0.462625 0.770226 0.127819 P\n0.165432 0.364257 0.821919 P\n0.229774 0.537375 0.372181 P\n0.288232 0.049462 0.612581 P\n0.123484 0.261130 0.604101 P\n0.364257 0.165432 0.321919 P\n0.049462 0.288232 0.112581 P\n0.261130 0.123484 0.104101 P\n0.790857 0.937791 0.822788 O\n0.813751 0.864261 0.674822 O\n0.787877 0.726288 0.909254 O\n0.562871 0.803346 0.915243 O\n0.945091 0.572229 0.933048 O\n0.937791 0.790857 0.322788 O\n0.568898 0.776731 0.612061 O\n0.904598 0.611411 0.591599 O\n0.000026 0.375477 0.817624 O\n0.864261 0.813751 0.174822 O\n0.545081 0.724253 0.738346 O\n0.726288 0.787877 0.409254 O\n0.803346 0.562871 0.415243 O\n0.572229 0.945091 0.433048 O\n0.816600 0.435496 0.698888 O\n0.311534 0.043532 0.685881 O\n0.829085 0.999316 0.942778 O\n0.084877 0.862407 0.903252 O\n0.673207 0.231489 0.914203 O\n0.776731 0.568898 0.112061 O\n0.520021 0.386571 0.870009 O\n0.611411 0.904598 0.091599 O\n0.613429 0.479979 0.629991 O\n0.768511 0.326793 0.585797 O\n0.137593 0.915123 0.596748 O\n0.000684 0.170915 0.557222 O\n0.375477 0.000026 0.317624 O\n0.724253 0.545081 0.238346 O\n0.956468 0.688466 0.814119 O\n0.564504 0.183400 0.801112 O\n0.435496 0.816600 0.198888 O\n0.043532 0.311534 0.185881 O\n0.275747 0.454919 0.761654 O\n0.624523 0.999974 0.682376 O\n0.999316 0.829085 0.442778 O\n0.862407 0.084877 0.403252 O\n0.231489 0.673207 0.414203 O\n0.386571 0.520021 0.370009 O\n0.388589 0.095402 0.908401 O\n0.479979 0.613429 0.129991 O\n0.223269 0.431102 0.887939 O\n0.326793 0.768511 0.085797 O\n0.915123 0.137593 0.096748 O\n0.170915 0.000684 0.057222 O\n0.688466 0.956468 0.314119 O\n0.183400 0.564504 0.301112 O\n0.427771 0.054909 0.566952 O\n0.196654 0.437129 0.584757 O\n0.273712 0.212123 0.590746 O\n0.454919 0.275747 0.261654 O\n0.135739 0.186249 0.825178 O\n0.999974 0.624523 0.182376 O\n0.095402 0.388589 0.408401 O\n0.431102 0.223269 0.387939 O\n0.062209 0.209143 0.677212 O\n0.054909 0.427771 0.066952 O\n0.437129 0.196654 0.084757 O\n0.212123 0.273712 0.090746 O\n0.186249 0.135739 0.325178 O\n0.209143 0.062209 0.177212 O\n",
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"elements": [
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"Sn",
"P",
"O"
],
"chemical_system": "Li-O-P-Sn",
"density": 3.472338191811828,
"density_atomic": 0.061314543692417366,
"volume": 1630.9344240030082,
"volume_molar": 9.821716671675638,
"formula_full": "Li8 Sn16 P16 O60",
"formula_reduced": "Li2Sn4P4O15",
"formula_anonymous": "A2B4C4D15",
"energy": -696.29865554,
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"updated_at": "2021-11-28T01:36:09.661000Z",
"spacegroup": 15
},
{
"id": "mp-30986",
"created_at": "2022-09-04T14:43:05.763673Z",
"structure_string": "Zn6 S4 O18\n1.0\n6.720151 0.000000 0.000000\n0.000000 7.539659 0.000000\n0.000000 3.712879 7.125617\nZn S O\n6 4 18\ndirect\n0.500000 0.000000 0.000000 Zn\n0.000000 0.000000 0.000000 Zn\n0.250000 0.377213 0.744394 Zn\n0.750000 0.622787 0.255606 Zn\n0.250000 0.167092 0.225802 Zn\n0.750000 0.832908 0.774198 Zn\n0.250000 0.557037 0.285876 S\n0.750000 0.442963 0.714124 S\n0.250000 0.847973 0.699792 S\n0.750000 0.152027 0.300208 S\n0.250000 0.131281 0.992589 O\n0.750000 0.868719 0.007411 O\n0.929059 0.310654 0.759216 O\n0.429059 0.689346 0.240784 O\n0.070941 0.689346 0.240784 O\n0.570941 0.310654 0.759216 O\n0.929857 0.109153 0.213801 O\n0.429857 0.890847 0.786199 O\n0.070143 0.890847 0.786199 O\n0.570143 0.109153 0.213801 O\n0.750000 0.548055 0.831288 O\n0.250000 0.451945 0.168712 O\n0.750000 0.594577 0.514338 O\n0.250000 0.405423 0.485662 O\n0.750000 0.025954 0.504141 O\n0.250000 0.974046 0.495859 O\n0.250000 0.635606 0.744054 O\n0.750000 0.364394 0.255946 O\n",
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"elements": [
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],
"chemical_system": "O-S-Zn",
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"volume": 361.0382465888062,
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"formula_full": "Zn6 S4 O18",
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"spacegroup": 11
},
{
"id": "mp-1244944",
"created_at": "2022-09-04T14:43:12.793548Z",
"structure_string": "Ti50 O50\n1.0\n10.666347 0.086589 -0.133540\n0.096488 10.248139 -0.029929\n-0.131081 -0.038211 10.893852\nTi O\n50 50\ndirect\n0.339176 0.357613 0.171484 Ti\n0.582092 0.878194 0.367429 Ti\n0.528039 0.043498 0.176231 Ti\n0.832545 0.981467 0.808257 Ti\n0.367363 0.147624 0.991099 Ti\n0.577269 0.998973 0.917820 Ti\n0.725093 0.774470 0.965273 Ti\n0.185245 0.271400 0.393075 Ti\n0.113064 0.803098 0.346697 Ti\n0.255236 0.035108 0.248195 Ti\n0.108584 0.102407 0.858376 Ti\n0.539845 0.645286 0.123687 Ti\n0.363709 0.727909 0.286580 Ti\n0.011226 0.056846 0.324566 Ti\n0.349300 0.485716 0.396217 Ti\n0.032438 0.489307 0.773589 Ti\n0.539641 0.658824 0.497211 Ti\n0.519696 0.705816 0.850567 Ti\n0.253985 0.651648 0.862773 Ti\n0.154015 0.363793 0.956941 Ti\n0.221512 0.298410 0.682112 Ti\n0.777745 0.539151 0.034822 Ti\n0.742395 0.619313 0.689262 Ti\n0.994120 0.767216 0.831151 Ti\n0.074725 0.880822 0.083898 Ti\n0.046856 0.596037 0.041945 Ti\n0.586657 0.905681 0.657434 Ti\n0.052843 0.247959 0.147657 Ti\n0.858560 0.940403 0.549529 Ti\n0.364604 0.866981 0.027310 Ti\n0.336274 0.937739 0.769225 Ti\n0.681387 0.279227 0.145362 Ti\n0.684529 0.499965 0.346319 Ti\n0.983744 0.245816 0.627060 Ti\n0.378914 0.380759 0.862117 Ti\n0.369556 0.936368 0.481176 Ti\n0.916932 0.541272 0.522787 Ti\n0.447834 0.230812 0.421405 Ti\n0.122110 0.918608 0.608159 Ti\n0.079634 0.509926 0.295479 Ti\n0.489272 0.418698 0.619439 Ti\n0.809598 0.043438 0.141224 Ti\n0.263117 0.708825 0.551573 Ti\n0.886800 0.286610 0.909054 Ti\n0.733015 0.111717 0.372318 Ti\n0.896282 0.693245 0.231265 Ti\n0.742825 0.259303 0.664670 Ti\n0.622968 0.406827 0.846615 Ti\n0.507017 0.170770 0.731686 Ti\n0.907406 0.315737 0.362381 Ti\n0.215818 0.632877 0.371076 O\n0.302316 0.111942 0.410873 O\n0.387478 0.571198 0.564228 O\n0.132128 0.437589 0.130264 O\n0.168142 0.091135 0.679533 O\n0.561527 0.246969 0.565880 O\n0.666050 0.069330 0.752837 O\n0.019577 0.928943 0.459991 O\n0.075974 0.418292 0.610584 O\n0.761232 0.966204 0.972512 O\n0.142207 0.745048 0.974133 O\n0.249381 0.994563 0.936827 O\n0.883836 0.521028 0.328202 O\n0.510400 0.240520 0.898765 O\n0.716165 0.305341 0.330476 O\n0.031412 0.195896 0.453076 O\n0.550475 0.860324 0.047958 O\n0.828198 0.121912 0.547791 O\n0.587064 0.718934 0.669192 O\n0.552226 0.092765 0.362008 O\n0.963971 0.901235 0.696734 O\n0.693924 0.918383 0.499985 O\n0.928711 0.634070 0.699479 O\n0.952506 0.877218 0.223768 O\n0.314494 0.332995 0.525694 O\n0.402195 0.670738 0.987736 O\n0.876573 0.203641 0.075806 O\n0.955507 0.456690 0.939969 O\n0.218709 0.468446 0.795076 O\n0.431219 0.024837 0.630923 O\n0.564849 0.692244 0.312302 O\n0.901586 0.701245 0.969451 O\n0.227411 0.840838 0.184088 O\n0.853905 0.364204 0.533282 O\n0.706623 0.595044 0.865838 O\n0.670187 0.443576 0.672417 O\n0.725468 0.354244 0.984668 O\n0.000909 0.953193 0.922236 O\n0.254883 0.230931 0.857151 O\n0.199038 0.772890 0.720439 O\n0.389677 0.538212 0.219006 O\n0.733738 0.613921 0.498289 O\n0.649583 0.481427 0.170674 O\n0.916610 0.155076 0.779130 O\n0.697168 0.956189 0.247012 O\n0.467349 0.522214 0.787817 O\n0.735963 0.699534 0.136317 O\n0.491473 0.239063 0.144109 O\n0.418010 0.918901 0.290119 O\n0.089413 0.061653 0.149317 O\n",
"nsites": 100,
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"elements": [
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"O"
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"volume": 1190.5274423953567,
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"formula_full": "Ti50 O50",
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"updated_at": "2021-11-28T01:36:07.865000Z",
"spacegroup": 1
},
{
"id": "mp-972204",
"created_at": "2022-09-04T14:43:05.840636Z",
"structure_string": "V2 Mo1 Ru1\n1.0\n0.000000 3.039306 3.039306\n3.039306 0.000000 3.039306\n3.039306 3.039306 0.000000\nV Mo Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 V\n0.750000 0.750000 0.750000 V\n0.500000 0.500000 0.500000 Mo\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
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],
"chemical_system": "Mo-Ru-V",
"density": 8.839171567483167,
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"volume": 56.15045476197212,
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"formula_full": "V2 Mo1 Ru1",
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