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{
"id": "mp-752791",
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"structure_string": "Li2 Mn3 Sb1 O8\n1.0\n-5.219338 -1.763358 2.631415\n5.208855 -1.666942 2.648307\n3.426364 4.370104 2.517147\nLi Mn Sb O\n2 3 1 8\ndirect\n0.499683 0.999805 0.000022 Li\n0.999757 0.999852 0.499834 Li\n0.500385 0.000148 0.500335 Mn\n0.499898 0.500254 0.999504 Mn\n0.999840 0.500322 0.499025 Mn\n0.000429 0.000173 0.000278 Sb\n0.693492 0.242354 0.262170 O\n0.741442 0.210358 0.749557 O\n0.233877 0.192731 0.276898 O\n0.756228 0.756220 0.203998 O\n0.243532 0.243956 0.795781 O\n0.766324 0.806876 0.723813 O\n0.258753 0.789332 0.250949 O\n0.306357 0.757619 0.737837 O\n",
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{
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"formula_full": "Na1 Ca3 Al1 Fe3 Si8 O24",
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{
"id": "mp-1376405",
"created_at": "2022-09-04T14:48:09.607561Z",
"structure_string": "Ca4 Ni4 F20\n1.0\n10.065722 0.000000 0.000000\n0.000000 5.502635 0.000000\n0.000000 2.664055 7.222771\nCa Ni F\n4 4 20\ndirect\n0.021593 0.532871 0.743392 Ca\n0.521593 0.467129 0.756608 Ca\n0.978407 0.467129 0.256608 Ca\n0.478407 0.532871 0.243392 Ca\n0.753007 0.109705 0.598809 Ni\n0.253007 0.890295 0.901191 Ni\n0.246993 0.890295 0.401191 Ni\n0.746993 0.109705 0.098809 Ni\n0.879930 0.386771 0.556356 F\n0.379930 0.613229 0.943644 F\n0.120070 0.613229 0.443644 F\n0.620070 0.386771 0.056356 F\n0.614110 0.355428 0.505810 F\n0.114110 0.644572 0.994190 F\n0.385890 0.644572 0.494190 F\n0.885890 0.355428 0.005810 F\n0.393495 0.116771 0.811410 F\n0.893495 0.883229 0.688590 F\n0.606505 0.883229 0.188590 F\n0.106505 0.116771 0.311410 F\n0.137282 0.164624 0.861381 F\n0.637282 0.835376 0.638619 F\n0.862718 0.835376 0.138619 F\n0.362718 0.164624 0.361381 F\n0.701275 0.149986 0.837919 F\n0.201275 0.850014 0.662081 F\n0.298725 0.850014 0.162081 F\n0.798725 0.149986 0.337919 F\n",
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{
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"created_at": "2022-09-04T14:40:18.256211Z",
"structure_string": "Rb2 Cr2 Co2 F12\n1.0\n-3.680379 3.700737 5.250372\n3.680379 -3.700737 5.250372\n3.680379 3.700737 -5.250372\nRb Cr Co F\n2 2 2 12\ndirect\n0.871352 0.121352 0.750000 Rb\n0.128648 0.878648 0.250000 Rb\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.815485 0.565485 0.250000 F\n0.422630 0.172630 0.250000 F\n0.832173 0.185153 0.263405 F\n0.421749 0.568769 0.236595 F\n0.832173 0.568769 0.647020 F\n0.421749 0.185153 0.852980 F\n0.184515 0.434515 0.750000 F\n0.577370 0.827370 0.750000 F\n0.167827 0.814847 0.736595 F\n0.578251 0.431231 0.763405 F\n0.167827 0.431231 0.352980 F\n0.578251 0.814847 0.147020 F\n",
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"density_atomic": 0.06292767301568003,
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"formula_full": "Rb2 Cr2 Co2 F12",
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{
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"created_at": "2022-09-04T14:40:31.909283Z",
"structure_string": "Ti4 Co4 P8 O32\n1.0\n0.000846 5.971977 -0.001243\n0.059778 -0.002095 9.866947\n9.945624 0.001977 -4.868896\nTi Co P O\n4 4 8 32\ndirect\n0.750433 0.348621 0.224602 Ti\n0.750336 0.848497 0.224243 Ti\n0.250273 0.651625 0.775516 Ti\n0.250212 0.151450 0.775842 Ti\n0.250141 0.118286 0.270888 Co\n0.749992 0.881547 0.728799 Co\n0.251357 0.618964 0.273591 Co\n0.749042 0.381387 0.725517 Co\n0.249666 0.270828 0.098446 P\n0.250024 0.768654 0.098356 P\n0.749644 0.729272 0.901623 P\n0.750198 0.231298 0.901580 P\n0.749643 0.647847 0.400123 P\n0.750336 0.147541 0.399771 P\n0.249246 0.351996 0.599938 P\n0.250377 0.852420 0.600158 P\n0.751716 0.347669 0.052279 O\n0.749697 0.846726 0.051771 O\n0.251482 0.652143 0.947725 O\n0.249951 0.153104 0.948348 O\n0.248233 0.427892 0.107450 O\n0.249505 0.925900 0.108351 O\n0.748742 0.572134 0.892236 O\n0.748716 0.073959 0.891380 O\n0.749983 0.279767 0.360027 O\n0.751075 0.778557 0.358602 O\n0.250137 0.720099 0.639883 O\n0.251383 0.221119 0.641310 O\n0.248494 0.294755 0.450603 O\n0.251161 0.798885 0.450888 O\n0.748596 0.705392 0.549487 O\n0.751691 0.201222 0.549008 O\n0.045048 0.236417 0.171227 O\n0.044414 0.733998 0.169756 O\n0.455209 0.237404 0.171121 O\n0.454912 0.736595 0.172121 O\n0.544930 0.763819 0.829031 O\n0.544795 0.266293 0.830355 O\n0.955412 0.763191 0.829286 O\n0.955545 0.263048 0.827965 O\n0.552961 0.534664 0.326196 O\n0.553268 0.035244 0.325713 O\n0.946378 0.534461 0.327393 O\n0.946801 0.034861 0.324995 O\n0.052731 0.465170 0.674107 O\n0.053346 0.964619 0.674514 O\n0.445945 0.465539 0.672960 O\n0.446825 0.965122 0.674922 O\n",
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{
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{
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{
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"structure_string": "Na4 Cr4 P8 S24\n1.0\n5.965764 0.000000 0.000000\n0.000000 7.241921 0.000000\n0.000000 6.674372 21.408060\nNa Cr P S\n4 4 8 24\ndirect\n0.922358 0.675718 0.280893 Na\n0.077642 0.324282 0.719107 Na\n0.422358 0.324282 0.219107 Na\n0.577642 0.675718 0.780893 Na\n0.248403 0.939391 0.040457 Cr\n0.751597 0.060609 0.959543 Cr\n0.748403 0.060609 0.459543 Cr\n0.251597 0.939391 0.540457 Cr\n0.754542 0.962933 0.129009 P\n0.245458 0.037067 0.870991 P\n0.254542 0.037067 0.370991 P\n0.745458 0.962933 0.629009 P\n0.741938 0.679962 0.109848 P\n0.258062 0.320038 0.890152 P\n0.241938 0.320038 0.390152 P\n0.758062 0.679962 0.609848 P\n0.878318 0.469343 0.177987 S\n0.121682 0.530657 0.822013 S\n0.378318 0.530657 0.322013 S\n0.621682 0.469343 0.677987 S\n0.588821 0.976562 0.372413 S\n0.411179 0.023438 0.627587 S\n0.088821 0.023438 0.127587 S\n0.911179 0.976562 0.872413 S\n0.922308 0.759104 0.023208 S\n0.077692 0.240896 0.976792 S\n0.422308 0.240896 0.476792 S\n0.577692 0.759104 0.523208 S\n0.599181 0.949054 0.208039 S\n0.400819 0.050946 0.791961 S\n0.099181 0.050946 0.291961 S\n0.900819 0.949054 0.708039 S\n0.577452 0.131840 0.048792 S\n0.422548 0.868160 0.951208 S\n0.077452 0.868160 0.451208 S\n0.922548 0.131840 0.548792 S\n0.411208 0.629930 0.096651 S\n0.588792 0.370070 0.903349 S\n0.911208 0.370070 0.403349 S\n0.088792 0.629930 0.596651 S\n",
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{
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{
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{
"id": "mp-1175711",
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{
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"structure_string": "Hf4 Cr4 Cu4 S16\n1.0\n6.056980 0.000000 0.000000\n0.000000 7.099403 0.000000\n0.000000 0.000000 12.395389\nHf Cr Cu S\n4 4 4 16\ndirect\n0.500000 0.250000 0.250000 Hf\n0.500000 0.750000 0.750000 Hf\n0.500000 0.750000 0.250000 Hf\n0.500000 0.250000 0.750000 Hf\n0.996656 0.000000 0.243950 Cr\n0.996656 0.000000 0.756050 Cr\n0.003344 0.500000 0.256050 Cr\n0.003344 0.500000 0.743950 Cr\n0.357170 0.000000 0.000000 Cu\n0.642830 0.500000 0.500000 Cu\n0.029158 0.000000 0.500000 Cu\n0.970842 0.500000 0.000000 Cu\n0.847681 0.249411 0.365345 S\n0.847681 0.750589 0.634655 S\n0.152319 0.749411 0.134655 S\n0.152319 0.250589 0.865345 S\n0.152319 0.250589 0.134655 S\n0.152319 0.749411 0.865345 S\n0.847681 0.750589 0.365345 S\n0.847681 0.249411 0.634655 S\n0.666718 0.000000 0.131059 S\n0.666718 0.000000 0.868941 S\n0.333282 0.500000 0.368941 S\n0.333282 0.500000 0.631059 S\n0.312874 0.000000 0.363263 S\n0.312874 0.000000 0.636737 S\n0.687126 0.500000 0.136737 S\n0.687126 0.500000 0.863263 S\n",
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}