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{
"id": "mp-759195",
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"structure_string": "Na8 Co4 O12\n1.0\n4.969781 2.963645 -0.374000\n-1.599928 5.929214 6.016024\n3.368941 -2.960829 5.637132\nNa Co O\n8 4 12\ndirect\n0.750001 0.250002 0.249999 Na\n0.249998 0.750000 0.750002 Na\n0.000012 0.999994 0.000000 Na\n0.499988 0.500006 0.499999 Na\n0.890197 0.461434 0.812953 Na\n0.390196 0.961428 0.312953 Na\n0.109805 0.538572 0.187048 Na\n0.609803 0.038565 0.687046 Na\n0.125339 0.211665 0.548903 Co\n0.374662 0.288334 0.951098 Co\n0.625337 0.711665 0.048897 Co\n0.874660 0.788336 0.451101 Co\n0.370353 0.835333 0.040547 O\n0.870367 0.335328 0.540549 O\n0.629633 0.164672 0.959452 O\n0.129647 0.664668 0.459452 O\n0.892551 0.747595 0.940102 O\n0.392577 0.247599 0.440115 O\n0.668875 0.523583 0.163737 O\n0.168873 0.023568 0.663741 O\n0.331128 0.476432 0.836259 O\n0.831124 0.976416 0.336263 O\n0.107424 0.252401 0.059887 O\n0.607449 0.752405 0.559896 O\n",
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{
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"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",
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"elements": [
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"formula_full": "Ba14 Ga8 Sb18",
"formula_reduced": "Ba7Ga4Sb9",
"formula_anonymous": "A4B7C9",
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{
"id": "mp-1224954",
"created_at": "2022-09-04T14:43:05.737594Z",
"structure_string": "Fe4 Si4 W4\n1.0\n2.461362 -4.037512 0.000000\n2.461362 4.037512 0.000000\n0.000000 0.000000 7.647978\nFe Si W\n4 4 4\ndirect\n0.170685 0.829315 0.000000 Fe\n0.651593 0.827864 0.000000 Fe\n0.172136 0.348407 0.000000 Fe\n0.851897 0.148103 0.500000 Fe\n0.355340 0.164077 0.500000 Si\n0.835923 0.644660 0.500000 Si\n0.988634 0.011366 0.236742 Si\n0.988634 0.011366 0.763258 Si\n0.330835 0.669165 0.310098 W\n0.662195 0.337805 0.182353 W\n0.662195 0.337805 0.817647 W\n0.330835 0.669165 0.689902 W\n",
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"formula_full": "Fe4 Si4 W4",
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{
"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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"volume": 361.0382465888062,
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"formula_full": "Zn6 S4 O18",
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{
"id": "mp-1200671",
"created_at": "2022-09-04T14:43:05.823112Z",
"structure_string": "V2 H20 C4 S4 O24 F12\n1.0\n9.918221 0.000000 0.000000\n0.000000 7.992815 0.000000\n-2.043667 0.000000 10.324821\nV H C S O F\n2 20 4 4 24 12\ndirect\n0.182371 0.250000 0.049306 V\n0.817629 0.750000 0.950694 V\n0.206760 0.540398 0.183439 H\n0.793240 0.040398 0.816561 H\n0.793240 0.459602 0.816561 H\n0.206760 0.959602 0.183439 H\n0.083935 0.430240 0.222910 H\n0.916065 0.930240 0.777090 H\n0.916065 0.569760 0.777090 H\n0.083935 0.069760 0.222910 H\n0.186867 0.485498 0.868127 H\n0.813133 0.985498 0.131873 H\n0.813133 0.514502 0.131873 H\n0.186867 0.014502 0.868127 H\n0.342768 0.426096 0.917787 H\n0.657232 0.926096 0.082213 H\n0.657232 0.573904 0.082213 H\n0.342768 0.073904 0.917787 H\n0.458759 0.150293 0.163203 H\n0.541241 0.650293 0.836797 H\n0.541241 0.849707 0.836797 H\n0.458759 0.349707 0.163203 H\n0.546856 0.750000 0.360540 C\n0.453144 0.250000 0.639460 C\n0.116348 0.750000 0.523637 C\n0.883652 0.250000 0.476363 C\n0.454520 0.750000 0.188535 S\n0.545480 0.250000 0.811465 S\n0.145848 0.750000 0.705672 S\n0.854152 0.250000 0.294328 S\n0.024897 0.250000 0.968405 O\n0.975103 0.750000 0.031595 O\n0.171319 0.426090 0.190242 O\n0.828681 0.926090 0.809758 O\n0.828681 0.573910 0.809758 O\n0.171319 0.073910 0.190242 O\n0.251470 0.437556 0.942770 O\n0.748530 0.937556 0.057230 O\n0.748530 0.562444 0.057230 O\n0.251470 0.062444 0.942770 O\n0.402554 0.250000 0.138558 O\n0.597446 0.750000 0.861442 O\n0.502524 0.904433 0.136148 O\n0.497476 0.404433 0.863852 O\n0.497476 0.095567 0.863852 O\n0.502524 0.595567 0.136148 O\n0.308481 0.750000 0.194691 O\n0.691519 0.250000 0.805309 O\n0.077255 0.904153 0.738150 O\n0.922745 0.404153 0.261850 O\n0.922745 0.095847 0.261850 O\n0.077255 0.595847 0.738150 O\n0.293581 0.750000 0.746223 O\n0.706419 0.250000 0.253777 O\n0.512986 0.886983 0.421762 F\n0.487014 0.386983 0.578238 F\n0.487014 0.113017 0.578238 F\n0.512986 0.613017 0.421762 F\n0.684395 0.750000 0.365562 F\n0.315605 0.250000 0.634438 F\n0.175146 0.887361 0.482602 F\n0.824854 0.387361 0.517398 F\n0.824854 0.112639 0.517398 F\n0.175146 0.612639 0.482602 F\n0.981083 0.750000 0.470455 F\n0.018917 0.250000 0.529545 F\n",
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{
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"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",
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{
"id": "mp-758801",
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"structure_string": "Li4 Fe4 P16 O48\n1.0\n4.689672 -5.762125 0.000000\n4.689672 5.762125 0.000000\n0.000000 0.000000 18.116826\nLi Fe P O\n4 4 16 48\ndirect\n0.206054 0.101085 0.640471 Li\n0.898915 0.793946 0.859529 Li\n0.793946 0.898915 0.140471 Li\n0.101085 0.206054 0.359529 Li\n0.563033 0.953997 0.879097 Fe\n0.046003 0.436967 0.620903 Fe\n0.953997 0.563033 0.120903 Fe\n0.436967 0.046003 0.379097 Fe\n0.230964 0.954511 0.151718 P\n0.045489 0.769036 0.348282 P\n0.287417 0.772769 0.010534 P\n0.227231 0.712583 0.489466 P\n0.381276 0.618724 0.750000 P\n0.234816 0.333060 0.192013 P\n0.666940 0.765184 0.307987 P\n0.365613 0.365613 0.500000 P\n0.634387 0.634387 0.000000 P\n0.333060 0.234816 0.807987 P\n0.765184 0.666940 0.692013 P\n0.618724 0.381276 0.250000 P\n0.772769 0.287417 0.989466 P\n0.712583 0.227231 0.510534 P\n0.769036 0.045489 0.651718 P\n0.954511 0.230964 0.848282 P\n0.165689 0.962935 0.353886 O\n0.037065 0.834311 0.146114 O\n0.350772 0.949540 0.215241 O\n0.050460 0.649228 0.284759 O\n0.334824 0.904992 0.481259 O\n0.095008 0.665176 0.018741 O\n0.083164 0.659639 0.423623 O\n0.340361 0.916836 0.076377 O\n0.334826 0.872926 0.938604 O\n0.127074 0.665174 0.561396 O\n0.420788 0.788090 0.797844 O\n0.211910 0.579212 0.702156 O\n0.511010 0.822300 0.349967 O\n0.177700 0.488990 0.150033 O\n0.369448 0.574482 0.479012 O\n0.425518 0.630552 0.020988 O\n0.803048 0.838909 0.634731 O\n0.161091 0.196952 0.865269 O\n0.544262 0.611409 0.692495 O\n0.388591 0.455738 0.807505 O\n0.684597 0.746358 0.930236 O\n0.253642 0.315403 0.569764 O\n0.157653 0.284207 0.266014 O\n0.715793 0.842347 0.233986 O\n0.284207 0.157653 0.733986 O\n0.842347 0.715793 0.766014 O\n0.315403 0.253642 0.430236 O\n0.746358 0.684597 0.069764 O\n0.611409 0.544262 0.307505 O\n0.455738 0.388591 0.192495 O\n0.196952 0.161091 0.134731 O\n0.838909 0.803048 0.365269 O\n0.630552 0.425518 0.979012 O\n0.574482 0.369448 0.520988 O\n0.822300 0.511010 0.650033 O\n0.488990 0.177700 0.849967 O\n0.788090 0.420788 0.202156 O\n0.579212 0.211910 0.297844 O\n0.665174 0.127074 0.438604 O\n0.872926 0.334826 0.061396 O\n0.659639 0.083164 0.576377 O\n0.916836 0.340361 0.923623 O\n0.904992 0.334824 0.518741 O\n0.665176 0.095008 0.981259 O\n0.649228 0.050460 0.715241 O\n0.949540 0.350772 0.784759 O\n0.962935 0.165689 0.646114 O\n0.834311 0.037065 0.853886 O\n",
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{
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