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{
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{
"id": "mp-1173174",
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"structure_string": "Sr4 Li4 Ti16 Cr4 O44\n1.0\n13.951956 0.000000 0.000000\n0.000000 5.864338 0.000000\n0.000000 5.854541 10.004943\nSr Li Ti Cr O\n4 4 16 4 44\ndirect\n0.903418 0.848093 0.896185 Sr\n0.403418 0.151907 0.603815 Sr\n0.596582 0.848093 0.396185 Sr\n0.096582 0.151907 0.103815 Sr\n0.456440 0.825213 0.921375 Li\n0.956440 0.174787 0.578625 Li\n0.043560 0.825213 0.421375 Li\n0.543560 0.174787 0.078625 Li\n0.332065 0.827810 0.166892 Ti\n0.164475 0.356433 0.390183 Ti\n0.172459 0.812111 0.934441 Ti\n0.998778 0.536246 0.221644 Ti\n0.664475 0.643567 0.109817 Ti\n0.498778 0.463754 0.278356 Ti\n0.672459 0.187889 0.565559 Ti\n0.832065 0.172190 0.333108 Ti\n0.167935 0.827810 0.666892 Ti\n0.335525 0.356433 0.890183 Ti\n0.001222 0.463754 0.778356 Ti\n0.501222 0.536246 0.721644 Ti\n0.835525 0.643567 0.609817 Ti\n0.327541 0.812111 0.434441 Ti\n0.827541 0.187889 0.065559 Ti\n0.667935 0.172190 0.833108 Ti\n0.829711 0.667932 0.332203 Cr\n0.329711 0.332068 0.167797 Cr\n0.670289 0.667932 0.832203 Cr\n0.170289 0.332068 0.667797 Cr\n0.756519 0.008832 0.994367 O\n0.258524 0.496148 0.505200 O\n0.583277 0.319236 0.674290 O\n0.083604 0.169279 0.830467 O\n0.588089 0.787887 0.184753 O\n0.086807 0.656203 0.315053 O\n0.737928 0.015515 0.740815 O\n0.757609 0.496410 0.248464 O\n0.237928 0.984485 0.759185 O\n0.565356 0.311604 0.441633 O\n0.913802 0.351609 0.394284 O\n0.602769 0.825519 0.929073 O\n0.102769 0.174481 0.570927 O\n0.257609 0.503590 0.251536 O\n0.413802 0.648391 0.105716 O\n0.065356 0.688396 0.058367 O\n0.088089 0.212113 0.315247 O\n0.586807 0.343797 0.184947 O\n0.583604 0.830721 0.669533 O\n0.083277 0.680764 0.825710 O\n0.758524 0.503852 0.994800 O\n0.256519 0.991168 0.505633 O\n0.743481 0.008832 0.494367 O\n0.241476 0.496148 0.005200 O\n0.416396 0.169279 0.330467 O\n0.916723 0.319236 0.174290 O\n0.413193 0.656203 0.815053 O\n0.911911 0.787887 0.684753 O\n0.934644 0.311604 0.941633 O\n0.742391 0.496410 0.748464 O\n0.242391 0.503590 0.751536 O\n0.086198 0.648391 0.605716 O\n0.434644 0.688396 0.558367 O\n0.897231 0.825519 0.429073 O\n0.262072 0.984485 0.259185 O\n0.762072 0.015515 0.240815 O\n0.397231 0.174481 0.070927 O\n0.586198 0.351609 0.894284 O\n0.411911 0.212113 0.815247 O\n0.913193 0.343797 0.684947 O\n0.416723 0.680764 0.325710 O\n0.916396 0.830721 0.169533 O\n0.741476 0.503852 0.494800 O\n0.243481 0.991168 0.005633 O\n",
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"formula_full": "Sr4 Li4 Ti16 Cr4 O44",
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"spacegroup": 14
},
{
"id": "mp-1204582",
"created_at": "2022-09-04T14:40:16.286325Z",
"structure_string": "Na4 V4 Co2 H8 O12 F12\n1.0\n0.000000 -5.352409 0.000000\n-8.410452 0.000000 0.210587\n0.103900 0.000000 -10.610164\nNa V Co H O F\n4 4 2 8 12 12\ndirect\n0.447022 0.533090 0.664124 Na\n0.947022 0.466910 0.835876 Na\n0.552978 0.466910 0.335876 Na\n0.052978 0.533090 0.164124 Na\n0.974646 0.710149 0.506409 V\n0.474646 0.289851 0.993591 V\n0.025354 0.289851 0.493591 V\n0.525354 0.710149 0.006409 V\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.532534 0.843188 0.277051 H\n0.032534 0.156812 0.222949 H\n0.467466 0.156812 0.722949 H\n0.967466 0.843188 0.777051 H\n0.699982 0.994779 0.269112 H\n0.199982 0.005221 0.230888 H\n0.300018 0.005221 0.730888 H\n0.800018 0.994779 0.769112 H\n0.705375 0.805187 0.542472 O\n0.205374 0.194813 0.957528 O\n0.294625 0.194813 0.457528 O\n0.794625 0.805187 0.042472 O\n0.188539 0.851161 0.486250 O\n0.688539 0.148839 0.013750 O\n0.811461 0.148839 0.513750 O\n0.311461 0.851161 0.986250 O\n0.539221 0.956967 0.302710 O\n0.039221 0.043033 0.197290 O\n0.460779 0.043033 0.697290 O\n0.960779 0.956967 0.802710 O\n0.223440 0.518680 0.470000 F\n0.723440 0.481320 0.030000 F\n0.776560 0.481320 0.530000 F\n0.276560 0.518680 0.970000 F\n0.884668 0.663491 0.336372 F\n0.384668 0.336509 0.163628 F\n0.115332 0.336509 0.663628 F\n0.615332 0.663491 0.836372 F\n0.067880 0.671291 0.679373 F\n0.567880 0.328709 0.820627 F\n0.932120 0.328709 0.320627 F\n0.432120 0.671291 0.179373 F\n",
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{
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"created_at": "2022-09-04T14:43:58.198170Z",
"structure_string": "Ti4 Cd4 O12\n1.0\n5.369678 0.000000 0.000000\n0.000000 5.486639 0.000000\n0.000000 0.000000 7.718095\nTi Cd O\n4 4 12\ndirect\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.008627 0.961050 0.750000 Cd\n0.508627 0.538950 0.250000 Cd\n0.491373 0.461050 0.750000 Cd\n0.991373 0.038950 0.250000 Cd\n0.701119 0.296236 0.453300 O\n0.201119 0.203764 0.546700 O\n0.798881 0.796236 0.046700 O\n0.298881 0.703764 0.953300 O\n0.298881 0.703764 0.546700 O\n0.798881 0.796236 0.453300 O\n0.201119 0.203764 0.953300 O\n0.701119 0.296236 0.046700 O\n0.089440 0.471960 0.250000 O\n0.589440 0.028040 0.750000 O\n0.410560 0.971960 0.250000 O\n0.910560 0.528040 0.750000 O\n",
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{
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"created_at": "2022-09-04T14:41:13.762610Z",
"structure_string": "Na2 V12 O22\n1.0\n2.937314 -5.087577 0.000000\n2.937314 5.087577 0.000000\n0.000000 0.000000 13.694351\nNa V O\n2 12 22\ndirect\n0.666667 0.333333 0.750000 Na\n0.333333 0.666667 0.250000 Na\n0.500000 0.000000 0.000000 V\n0.000000 0.000000 0.150173 V\n0.000000 0.000000 0.650173 V\n0.500000 0.500000 0.000000 V\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.349827 V\n0.000000 0.000000 0.849827 V\n0.000000 0.500000 0.000000 V\n0.666667 0.333333 0.250000 V\n0.000000 0.500000 0.500000 V\n0.333333 0.666667 0.750000 V\n0.500000 0.000000 0.500000 V\n0.661038 0.830519 0.427288 O\n0.169481 0.830519 0.072712 O\n0.733654 0.866827 0.250000 O\n0.266346 0.133173 0.750000 O\n0.133173 0.866827 0.250000 O\n0.133173 0.266346 0.250000 O\n0.338962 0.169481 0.927288 O\n0.169481 0.338962 0.072712 O\n0.830519 0.661038 0.572712 O\n0.830519 0.169481 0.927288 O\n0.866827 0.133173 0.750000 O\n0.333333 0.666667 0.586575 O\n0.169481 0.338962 0.427288 O\n0.169481 0.830519 0.427288 O\n0.830519 0.169481 0.572712 O\n0.666667 0.333333 0.086575 O\n0.661038 0.830519 0.072712 O\n0.830519 0.661038 0.927288 O\n0.338962 0.169481 0.572712 O\n0.333333 0.666667 0.913425 O\n0.666667 0.333333 0.413425 O\n0.866827 0.733654 0.750000 O\n",
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{
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"structure_string": "Mg2 Ti6 P8 O28\n1.0\n7.391758 0.000000 0.000000\n0.000000 7.371164 0.000000\n0.000000 3.038247 9.181082\nMg Ti P O\n2 6 8 28\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.164406 0.826757 0.513234 Ti\n0.664406 0.173243 0.986766 Ti\n0.835594 0.173243 0.486766 Ti\n0.335594 0.826757 0.013234 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.929459 0.433193 0.697256 P\n0.429459 0.566807 0.802744 P\n0.070541 0.566807 0.302744 P\n0.570541 0.433193 0.197256 P\n0.207140 0.142459 0.678573 P\n0.707140 0.857541 0.821427 P\n0.792860 0.857541 0.321427 P\n0.292860 0.142459 0.178573 P\n0.387704 0.202851 0.598332 O\n0.887704 0.797149 0.901668 O\n0.612296 0.797149 0.401668 O\n0.112296 0.202851 0.098332 O\n0.399023 0.653552 0.634761 O\n0.899023 0.346448 0.865239 O\n0.600977 0.346448 0.365239 O\n0.100977 0.653552 0.134761 O\n0.780564 0.376004 0.607620 O\n0.280564 0.623996 0.892380 O\n0.219436 0.623996 0.392380 O\n0.719436 0.376004 0.107620 O\n0.117690 0.343780 0.665629 O\n0.617690 0.656220 0.834371 O\n0.882310 0.656220 0.334371 O\n0.382310 0.343780 0.165629 O\n0.524961 0.643037 0.155279 O\n0.024961 0.356963 0.344721 O\n0.475039 0.356963 0.844721 O\n0.975039 0.643037 0.655279 O\n0.789136 0.963614 0.156495 O\n0.289136 0.036386 0.343505 O\n0.210864 0.036386 0.843505 O\n0.710864 0.963614 0.656495 O\n0.421210 0.041137 0.101891 O\n0.921210 0.958863 0.398109 O\n0.578790 0.958863 0.898109 O\n0.078790 0.041137 0.601891 O\n",
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{
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"structure_string": "Sc4 B16 Ru16\n1.0\n-3.694939 3.694939 7.494469\n3.694939 -3.694939 7.494469\n3.694939 3.694939 -7.494469\nSc B Ru\n4 16 16\ndirect\n0.750000 0.750000 0.000000 Sc\n0.250000 0.250000 0.000000 Sc\n0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.717144 0.412072 0.966358 B\n0.217144 0.250786 0.305072 B\n0.662072 0.467144 0.466358 B\n0.162072 0.695714 0.194928 B\n0.032856 0.837928 0.533642 B\n0.532856 0.999214 0.194928 B\n0.087928 0.782856 0.033642 B\n0.587928 0.554286 0.305072 B\n0.945714 0.912072 0.694928 B\n0.445714 0.750786 0.033642 B\n0.500786 0.967144 0.805072 B\n0.000786 0.195714 0.533642 B\n0.804286 0.337928 0.805072 B\n0.304286 0.499214 0.466358 B\n0.249214 0.282856 0.694928 B\n0.749214 0.054286 0.966358 B\n0.034780 0.573529 0.231458 Ru\n0.534780 0.303322 0.461251 Ru\n0.823529 0.784780 0.731458 Ru\n0.323529 0.592070 0.038749 Ru\n0.715220 0.676471 0.268542 Ru\n0.215220 0.946678 0.038749 Ru\n0.926471 0.465220 0.768542 Ru\n0.426471 0.657930 0.461251 Ru\n0.842070 0.073529 0.538749 Ru\n0.342070 0.803322 0.768542 Ru\n0.553322 0.284780 0.961251 Ru\n0.053322 0.092070 0.268542 Ru\n0.907930 0.176471 0.961251 Ru\n0.407930 0.446678 0.731458 Ru\n0.196678 0.965220 0.538749 Ru\n0.696678 0.157930 0.231458 Ru\n",
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{
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{
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