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{
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{
"id": "mp-1079754",
"created_at": "2022-09-04T14:43:20.742954Z",
"structure_string": "Ni2 P2 Se6\n1.0\n5.338396 3.080181 0.000000\n-5.338396 3.080181 0.000000\n0.000000 2.047523 6.623039\nNi P Se\n2 2 6\ndirect\n0.666649 0.333351 0.000000 Ni\n0.333351 0.666649 0.000000 Ni\n0.056413 0.056413 0.830796 P\n0.943587 0.943587 0.169204 P\n0.718450 0.718450 0.768851 Se\n0.281550 0.281550 0.231149 Se\n0.077244 0.435546 0.768952 Se\n0.435546 0.077244 0.768952 Se\n0.922756 0.564454 0.231048 Se\n0.564454 0.922756 0.231048 Se\n",
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{
"id": "mp-1177197",
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"structure_string": "Li8 V6 P16 O58\n1.0\n9.779249 0.000000 0.000000\n-4.875608 -8.494145 0.000000\n-0.179028 0.089702 -14.237104\nLi V P O\n8 6 16 58\ndirect\n0.773217 0.089974 0.060825 Li\n0.320412 0.227239 0.065612 Li\n0.671331 0.904769 0.440849 Li\n0.326388 0.094506 0.556601 Li\n0.691129 0.773451 0.937496 Li\n0.222911 0.907785 0.946683 Li\n0.094028 0.323550 0.941870 Li\n0.001900 0.006141 0.492709 Li\n0.567580 0.000563 0.250565 V\n0.431246 0.998047 0.751411 V\n0.567848 0.562576 0.745262 V\n0.434040 0.441097 0.255806 V\n0.999680 0.565136 0.255226 V\n0.998549 0.438619 0.741201 V\n0.916179 0.686440 0.839563 P\n0.780728 0.696693 0.335702 P\n0.919715 0.221808 0.342062 P\n0.665480 0.333386 0.133459 P\n0.661531 0.330578 0.629502 P\n0.773406 0.093056 0.837625 P\n0.684069 0.910917 0.658307 P\n0.321435 0.233946 0.846222 P\n0.678872 0.767099 0.153285 P\n0.315535 0.090768 0.341708 P\n0.225391 0.906617 0.164072 P\n0.335298 0.668798 0.371442 P\n0.333177 0.662436 0.866190 P\n0.080403 0.779034 0.655069 P\n0.221297 0.305644 0.663402 P\n0.086285 0.318147 0.158961 P\n0.004144 0.795137 0.569394 O\n0.915012 0.656492 0.335367 O\n0.742286 0.754317 0.061680 O\n0.745300 0.659180 0.837997 O\n0.911141 0.527635 0.819397 O\n0.815169 0.474136 0.183699 O\n0.925124 0.382760 0.331900 O\n0.001753 0.243093 0.067863 O\n0.919770 0.259889 0.837202 O\n0.668736 0.481511 0.677867 O\n0.619386 0.538897 0.328417 O\n0.810926 0.329605 0.675174 O\n0.668052 0.337701 0.028916 O\n0.667937 0.342742 0.525915 O\n0.668046 0.181920 0.169033 O\n0.479830 0.381580 0.823174 O\n0.517514 0.336200 0.173421 O\n0.743824 0.086181 0.335716 O\n0.795664 0.005494 0.748151 O\n0.767719 0.975535 0.568688 O\n0.762007 0.004677 0.926368 O\n0.620743 0.101046 0.819530 O\n0.509574 0.185928 0.666431 O\n0.662979 0.916765 0.160511 O\n0.469711 0.089368 0.331011 O\n0.346388 0.262233 0.326906 O\n0.798666 0.785020 0.237447 O\n0.793463 0.801750 0.414855 O\n0.208307 0.201658 0.583826 O\n0.656026 0.740068 0.673120 O\n0.528584 0.909901 0.671146 O\n0.336182 0.083925 0.843728 O\n0.488960 0.813102 0.335230 O\n0.379075 0.900411 0.181240 O\n0.236400 0.994438 0.075054 O\n0.229054 0.026602 0.430989 O\n0.204163 0.997770 0.251963 O\n0.255177 0.915033 0.665860 O\n0.481663 0.662531 0.823818 O\n0.520323 0.618884 0.178967 O\n0.331056 0.814083 0.831527 O\n0.332632 0.652420 0.970688 O\n0.331371 0.655814 0.475222 O\n0.188410 0.669371 0.325194 O\n0.382101 0.462451 0.671956 O\n0.330671 0.517557 0.323309 O\n0.082192 0.739469 0.168337 O\n0.996505 0.793006 0.748253 O\n0.006611 0.769827 0.925220 O\n0.080385 0.618609 0.669063 O\n0.182746 0.515878 0.821275 O\n0.093155 0.476071 0.178586 O\n0.254387 0.339422 0.161115 O\n0.250887 0.249395 0.936171 O\n0.202348 0.214397 0.761300 O\n0.085979 0.344847 0.665647 O\n0.000247 0.198124 0.423708 O\n0.993405 0.202923 0.243877 O\n",
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"formula_full": "Li8 V6 P16 O58",
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"spacegroup": 1
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{
"id": "mp-1211266",
"created_at": "2022-09-04T14:43:20.759611Z",
"structure_string": "Li16 Mo12 O48\n1.0\n5.214835 0.000000 0.000000\n0.000000 10.533615 0.000000\n0.000000 0.000000 17.980781\nLi Mo O\n16 12 48\ndirect\n0.101002 0.250000 0.249360 Li\n0.898998 0.750000 0.750640 Li\n0.398998 0.750000 0.749360 Li\n0.601002 0.250000 0.250640 Li\n0.247236 0.075696 0.526635 Li\n0.752764 0.924304 0.473365 Li\n0.252764 0.924304 0.026635 Li\n0.752764 0.575696 0.473365 Li\n0.747236 0.075696 0.973365 Li\n0.247236 0.424304 0.526635 Li\n0.747236 0.424304 0.973365 Li\n0.252764 0.575696 0.026635 Li\n0.257792 0.250000 0.700423 Li\n0.742208 0.750000 0.299577 Li\n0.242208 0.750000 0.200423 Li\n0.757792 0.250000 0.799577 Li\n0.281591 0.250000 0.055963 Mo\n0.718409 0.750000 0.944037 Mo\n0.218409 0.750000 0.555963 Mo\n0.781591 0.250000 0.444037 Mo\n0.275288 0.527659 0.344347 Mo\n0.724712 0.472341 0.655653 Mo\n0.224712 0.472341 0.844347 Mo\n0.724712 0.027659 0.655653 Mo\n0.775288 0.527659 0.155653 Mo\n0.275288 0.972341 0.344347 Mo\n0.775288 0.972341 0.155653 Mo\n0.224712 0.027659 0.844347 Mo\n0.083844 0.009786 0.424391 O\n0.916156 0.990214 0.575609 O\n0.416156 0.990214 0.924391 O\n0.916156 0.509786 0.575609 O\n0.583844 0.009786 0.075609 O\n0.083844 0.490214 0.424391 O\n0.583844 0.490214 0.075609 O\n0.416156 0.509786 0.924391 O\n0.077576 0.629163 0.285810 O\n0.922424 0.370837 0.714190 O\n0.422424 0.370837 0.785810 O\n0.922424 0.129163 0.714190 O\n0.577576 0.629163 0.214190 O\n0.077576 0.870837 0.285810 O\n0.577576 0.870837 0.214190 O\n0.422424 0.129163 0.785810 O\n0.352252 0.114915 0.294866 O\n0.647748 0.885085 0.705134 O\n0.147748 0.885085 0.794866 O\n0.647748 0.614915 0.705134 O\n0.852252 0.114915 0.205134 O\n0.352252 0.385085 0.294866 O\n0.852252 0.385085 0.205134 O\n0.147748 0.614915 0.794866 O\n0.083771 0.113962 0.036134 O\n0.916229 0.886038 0.963866 O\n0.416229 0.886038 0.536134 O\n0.916229 0.613962 0.963866 O\n0.583771 0.113962 0.463866 O\n0.083771 0.386038 0.036134 O\n0.583771 0.386038 0.463866 O\n0.416229 0.613962 0.536134 O\n0.055391 0.250000 0.504766 O\n0.944609 0.750000 0.495234 O\n0.444609 0.750000 0.004766 O\n0.555391 0.250000 0.995234 O\n0.058180 0.614350 0.127364 O\n0.941820 0.385650 0.872636 O\n0.441820 0.385650 0.627364 O\n0.941820 0.114350 0.872636 O\n0.558180 0.614350 0.372636 O\n0.058180 0.885650 0.127364 O\n0.558180 0.885650 0.372636 O\n0.441820 0.114350 0.627364 O\n0.357627 0.250000 0.154685 O\n0.642373 0.750000 0.845315 O\n0.142373 0.750000 0.654685 O\n0.857627 0.250000 0.345315 O\n",
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"formula_full": "Li16 Mo12 O48",
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{
"id": "mp-779864",
"created_at": "2022-09-04T14:43:20.761926Z",
"structure_string": "Hf16 N16 O8\n1.0\n8.714518 0.000000 0.000000\n-2.906253 8.225113 0.000000\n-2.903691 -4.102923 7.146083\nHf N O\n16 16 8\ndirect\n0.991267 0.992468 0.492785 Hf\n0.250932 0.714472 0.463382 Hf\n0.286561 0.035098 0.250477 Hf\n0.782528 0.539635 0.259719 Hf\n0.737795 0.787661 0.032209 Hf\n0.970322 0.744399 0.711322 Hf\n0.032853 0.251806 0.287598 Hf\n0.545947 0.255468 0.787292 Hf\n0.012395 0.502283 0.995707 Hf\n0.488402 0.491449 0.489800 Hf\n0.498486 0.000378 0.000851 Hf\n0.458682 0.740662 0.212829 Hf\n0.260225 0.215248 0.975174 Hf\n0.716831 0.969132 0.750723 Hf\n0.210571 0.462779 0.745324 Hf\n0.754092 0.290979 0.541333 Hf\n0.730634 0.762339 0.270815 N\n0.052155 0.778126 0.515934 N\n0.518695 0.746003 0.473188 N\n0.535899 0.273659 0.041773 N\n0.223962 0.772022 0.236097 N\n0.228140 0.954328 0.966430 N\n0.485019 0.259198 0.535663 N\n0.726638 0.489493 0.455882 N\n0.011173 0.543664 0.772339 N\n0.258275 0.271507 0.227321 N\n0.773249 0.045142 0.033515 N\n0.465198 0.728185 0.952859 N\n0.238209 0.462570 0.010382 N\n0.773553 0.228119 0.768408 N\n0.268910 0.512438 0.542911 N\n0.949665 0.219509 0.485876 N\n0.963668 0.009300 0.734893 O\n0.037241 0.992311 0.266525 O\n0.454293 0.966135 0.728039 O\n0.269103 0.231711 0.725063 O\n0.985246 0.455582 0.226606 O\n0.747619 0.730951 0.779275 O\n0.761069 0.537141 0.983276 O\n0.544502 0.036654 0.270406 O\n",
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{
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"structure_string": "Cs2 Mn2 V2 F12\n1.0\n-3.781830 3.822637 5.428546\n3.781830 -3.822637 5.428546\n3.781830 3.822637 -5.428546\nCs Mn V F\n2 2 2 12\ndirect\n0.620899 0.870899 0.750000 Cs\n0.379101 0.129101 0.250000 Cs\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.058085 0.808085 0.250000 F\n0.672937 0.422937 0.250000 F\n0.064760 0.833101 0.639228 F\n0.693873 0.425532 0.860772 F\n0.693873 0.833101 0.268341 F\n0.064760 0.425532 0.231659 F\n0.941915 0.191915 0.750000 F\n0.327063 0.577063 0.750000 F\n0.935240 0.166899 0.360772 F\n0.306127 0.574468 0.139228 F\n0.306127 0.166899 0.731659 F\n0.935240 0.574468 0.768341 F\n",
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"formula_full": "Cs2 Mn2 V2 F12",
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{
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{
"id": "mp-1189041",
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"structure_string": "Al2 C10 N2 Cl2\n1.0\n-6.453941 0.000000 3.018877\n0.798134 0.000000 -6.085428\n0.000000 -8.369390 0.000000\nAl C N Cl\n2 10 2 2\ndirect\n0.698532 0.801612 0.750000 Al\n0.301468 0.198388 0.250000 Al\n0.771942 0.160973 0.750000 C\n0.228058 0.839027 0.250000 C\n0.729807 0.327581 0.649910 C\n0.270193 0.672419 0.149910 C\n0.270193 0.672419 0.350090 C\n0.729807 0.327581 0.850090 C\n0.830845 0.613976 0.665128 C\n0.169155 0.386024 0.165128 C\n0.169155 0.386024 0.334872 C\n0.830845 0.613976 0.834872 C\n0.537976 0.156535 0.750000 N\n0.462024 0.843465 0.250000 N\n0.343808 0.555452 0.750000 Cl\n0.656192 0.444548 0.250000 Cl\n",
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{
"id": "mp-1018072",
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"structure_string": "K1 Ti1 S2\n1.0\n7.446702 -1.825032 0.000000\n7.446702 1.825032 0.000000\n6.999424 0.000000 3.129245\nK Ti S\n1 1 2\ndirect\n0.181669 0.181669 0.181669 K\n0.013199 0.013199 0.013199 Ti\n0.617812 0.617812 0.617812 S\n0.409321 0.409321 0.409321 S\n",
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