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{
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{
"id": "mp-1031824",
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"structure_string": "Mg6 Mn1 Ni1 O8\n1.0\n8.560133 0.000000 0.000000\n0.000000 4.293805 0.000000\n0.000000 0.000000 4.293805\nMg Mn Ni O\n6 1 1 8\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.250740 0.000000 0.500000 Mg\n0.749260 0.000000 0.500000 Mg\n0.250740 0.500000 0.000000 Mg\n0.749260 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Ni\n0.257903 0.000000 0.000000 O\n0.742097 0.000000 0.000000 O\n0.249038 0.500000 0.500000 O\n0.750961 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
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{
"id": "mp-769283",
"created_at": "2022-09-04T14:41:28.678383Z",
"structure_string": "Sr16 Ta8 O36\n1.0\n5.980639 0.000000 0.000000\n0.000000 10.358127 0.000000\n0.000000 0.000000 15.306013\nSr Ta O\n16 8 36\ndirect\n0.493226 0.835427 0.290417 Sr\n0.493226 0.164573 0.209583 Sr\n0.485237 0.164219 0.484118 Sr\n0.485237 0.835781 0.015882 Sr\n0.014763 0.664219 0.515882 Sr\n0.014763 0.335781 0.984118 Sr\n0.006774 0.335427 0.709583 Sr\n0.006774 0.664573 0.790417 Sr\n0.993226 0.335427 0.209583 Sr\n0.993226 0.664573 0.290417 Sr\n0.985237 0.664219 0.015882 Sr\n0.985237 0.335781 0.484118 Sr\n0.514763 0.164219 0.984118 Sr\n0.514763 0.835781 0.515882 Sr\n0.506774 0.164573 0.709583 Sr\n0.506774 0.835427 0.790417 Sr\n0.495581 0.500976 0.149633 Ta\n0.495581 0.499024 0.350367 Ta\n0.004419 0.999024 0.649633 Ta\n0.004419 0.000976 0.850367 Ta\n0.995581 0.000976 0.350367 Ta\n0.995581 0.999024 0.149633 Ta\n0.504419 0.500976 0.649633 Ta\n0.504419 0.499024 0.850367 Ta\n0.382439 0.624130 0.746269 O\n0.382439 0.375870 0.753731 O\n0.353214 0.640129 0.089555 O\n0.353214 0.359871 0.410445 O\n0.290333 0.986535 0.403699 O\n0.290333 0.013465 0.096301 O\n0.341657 0.651799 0.399686 O\n0.341657 0.348201 0.100314 O\n0.250451 0.000000 0.750000 O\n0.249549 0.500000 0.250000 O\n0.158343 0.848201 0.899686 O\n0.158343 0.151799 0.600314 O\n0.209667 0.486535 0.596301 O\n0.209667 0.513465 0.903699 O\n0.146786 0.859871 0.589555 O\n0.146786 0.140129 0.910445 O\n0.117561 0.875870 0.246269 O\n0.117561 0.124130 0.253731 O\n0.882439 0.124130 0.753731 O\n0.882439 0.875870 0.746269 O\n0.853214 0.140129 0.410445 O\n0.853214 0.859871 0.089555 O\n0.790333 0.513465 0.403699 O\n0.790333 0.486535 0.096301 O\n0.841657 0.848201 0.399686 O\n0.841657 0.151799 0.100314 O\n0.750451 0.500000 0.750000 O\n0.749549 0.000000 0.250000 O\n0.658343 0.651799 0.899686 O\n0.658343 0.348201 0.600314 O\n0.709667 0.986535 0.903699 O\n0.709667 0.013465 0.596301 O\n0.646786 0.640129 0.589555 O\n0.646786 0.359871 0.910445 O\n0.617561 0.624130 0.246269 O\n0.617561 0.375870 0.253731 O\n",
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"elements": [
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"volume": 948.1802346748977,
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"formula_full": "Sr16 Ta8 O36",
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"spacegroup": 60
},
{
"id": "mp-26025",
"created_at": "2022-09-04T14:42:59.927605Z",
"structure_string": "Li8 Fe4 P8 O28\n1.0\n4.855752 0.000717 1.353435\n-3.357299 6.922894 12.050343\n-1.495004 -6.986213 5.363759\nLi Fe P O\n8 4 8 28\ndirect\n0.107810 0.940399 0.611940 Li\n0.607312 0.440338 0.112092 Li\n0.392216 0.559604 0.888021 Li\n0.892722 0.059653 0.387909 Li\n0.607860 0.059594 0.888055 Li\n0.107275 0.559669 0.387945 Li\n0.892185 0.440403 0.611937 Li\n0.392759 0.940326 0.112073 Li\n0.250031 0.749997 0.249986 Fe\n0.750003 0.249999 0.249997 Fe\n0.749795 0.250036 0.749905 Fe\n0.249952 0.750031 0.750061 Fe\n0.115492 0.147048 0.037146 P\n0.614953 0.647083 0.537409 P\n0.385117 0.147037 0.537286 P\n0.884551 0.647027 0.037209 P\n0.384511 0.352950 0.462822 P\n0.885013 0.852942 0.962631 P\n0.114924 0.352944 0.962688 P\n0.615459 0.852963 0.462812 P\n0.232230 0.249945 0.500142 O\n0.732131 0.750044 0.999883 O\n0.267807 0.250044 0.999851 O\n0.767870 0.749946 0.500133 O\n0.979061 0.355796 0.807100 O\n0.479474 0.855768 0.307225 O\n0.520956 0.144185 0.692895 O\n0.020551 0.644214 0.192796 O\n0.979401 0.144216 0.192710 O\n0.479478 0.644254 0.693085 O\n0.520619 0.355778 0.307282 O\n0.020464 0.855807 0.806916 O\n0.327785 0.427127 0.961302 O\n0.828819 0.927012 0.461180 O\n0.329011 0.073019 0.038895 O\n0.827758 0.572868 0.538729 O\n0.170996 0.426972 0.461088 O\n0.672125 0.927125 0.961361 O\n0.172246 0.072861 0.538683 O\n0.671216 0.572973 0.038823 O\n0.093714 0.851780 0.089393 O\n0.592745 0.351952 0.589751 O\n0.406281 0.648203 0.410626 O\n0.907264 0.148067 0.910217 O\n0.407101 0.851901 0.589658 O\n0.906518 0.351819 0.089570 O\n0.092928 0.648096 0.910365 O\n0.593521 0.148180 0.410417 O\n",
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{
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"structure_string": "Zn4 H24 C8\n1.0\n7.693348 0.000000 0.000000\n0.000000 7.653189 0.000000\n0.000000 4.513371 6.989987\nZn H C\n4 24 8\ndirect\n0.888305 0.751724 0.254480 Zn\n0.611695 0.751724 0.754480 Zn\n0.111695 0.248276 0.745520 Zn\n0.388305 0.248276 0.245520 Zn\n0.113558 0.875752 0.394420 H\n0.386442 0.875752 0.894420 H\n0.886442 0.124248 0.605580 H\n0.613558 0.124248 0.105580 H\n0.176822 0.945695 0.160807 H\n0.323178 0.945695 0.660807 H\n0.823178 0.054305 0.839193 H\n0.676822 0.054305 0.339193 H\n0.012658 0.092461 0.190157 H\n0.487342 0.092461 0.690157 H\n0.987342 0.907539 0.809843 H\n0.512658 0.907539 0.309843 H\n0.588857 0.645538 0.206967 H\n0.911143 0.645538 0.706967 H\n0.411143 0.354462 0.793033 H\n0.088857 0.354462 0.293033 H\n0.754523 0.495102 0.185207 H\n0.745477 0.495102 0.685207 H\n0.245477 0.504898 0.814793 H\n0.254523 0.504898 0.314793 H\n0.690299 0.435511 0.415529 H\n0.809701 0.435511 0.915529 H\n0.309701 0.564489 0.584471 H\n0.190299 0.564489 0.084471 H\n0.065822 0.935664 0.248975 C\n0.434178 0.935664 0.748975 C\n0.934178 0.064336 0.751025 C\n0.565822 0.064336 0.251025 C\n0.712469 0.562704 0.266463 C\n0.787531 0.562704 0.766463 C\n0.287531 0.437296 0.733537 C\n0.212469 0.437296 0.233537 C\n",
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{
"id": "mp-1094131",
"created_at": "2022-09-04T14:42:51.432414Z",
"structure_string": "Mg7 Fe1 Si4 O16\n1.0\n4.821830 0.000000 0.000000\n0.023276 6.061972 0.000000\n0.015059 0.054037 10.353624\nMg Fe Si O\n7 1 4 16\ndirect\n0.000000 0.000000 0.000000 Mg\n0.988671 0.245072 0.723870 Mg\n0.011329 0.754928 0.276130 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.509575 0.251105 0.221778 Mg\n0.490425 0.748895 0.778222 Mg\n0.500000 0.500000 0.500000 Fe\n0.926311 0.751215 0.594485 Si\n0.425195 0.249093 0.906518 Si\n0.574805 0.750907 0.093482 Si\n0.073689 0.248785 0.405515 Si\n0.764609 0.248752 0.908224 O\n0.213312 0.245094 0.553507 O\n0.276217 0.032822 0.838098 O\n0.235391 0.751248 0.091776 O\n0.786688 0.754906 0.446493 O\n0.723783 0.967178 0.161902 O\n0.722894 0.533775 0.162713 O\n0.277106 0.466225 0.837287 O\n0.734603 0.246469 0.406042 O\n0.277446 0.249175 0.053082 O\n0.229093 0.034381 0.337092 O\n0.265397 0.753531 0.593958 O\n0.722554 0.750825 0.946918 O\n0.770907 0.965619 0.662908 O\n0.785993 0.533504 0.665808 O\n0.214007 0.466496 0.334192 O\n",
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"formula_full": "Mg7 Fe1 Si4 O16",
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{
"id": "mp-30978",
"created_at": "2022-09-04T14:40:33.520765Z",
"structure_string": "K4 Al8 Br28\n1.0\n11.368256 0.000000 0.000000\n0.000000 11.096346 0.000000\n0.000000 8.346641 12.342090\nK Al Br\n4 8 28\ndirect\n0.381266 0.886162 0.380941 K\n0.881266 0.113838 0.119059 K\n0.618734 0.113838 0.619059 K\n0.118734 0.886162 0.880941 K\n0.287315 0.599843 0.797469 Al\n0.787315 0.400157 0.702531 Al\n0.712685 0.400157 0.202531 Al\n0.212685 0.599843 0.297469 Al\n0.216278 0.172411 0.545735 Al\n0.716278 0.827589 0.954265 Al\n0.783722 0.827589 0.454265 Al\n0.283722 0.172411 0.045735 Al\n0.406876 0.378999 0.915398 Br\n0.906876 0.621001 0.584602 Br\n0.593124 0.621001 0.084602 Br\n0.093124 0.378999 0.415398 Br\n0.132626 0.152060 0.950804 Br\n0.632626 0.847940 0.549196 Br\n0.867374 0.847940 0.049196 Br\n0.367374 0.152060 0.450804 Br\n0.213762 0.207453 0.174179 Br\n0.713762 0.792547 0.325821 Br\n0.786238 0.792547 0.825821 Br\n0.286238 0.207453 0.674179 Br\n0.417017 0.984158 0.119753 Br\n0.917017 0.015842 0.380247 Br\n0.582983 0.015842 0.880247 Br\n0.082983 0.984158 0.619753 Br\n0.223537 0.618826 0.135960 Br\n0.723537 0.381174 0.364040 Br\n0.776463 0.381174 0.864040 Br\n0.276463 0.618826 0.635960 Br\n0.105051 0.778457 0.294320 Br\n0.605051 0.221543 0.205680 Br\n0.894949 0.221543 0.705680 Br\n0.394949 0.778457 0.794320 Br\n0.391577 0.567263 0.379583 Br\n0.891577 0.432737 0.120417 Br\n0.608423 0.432737 0.620417 Br\n0.108423 0.567263 0.879583 Br\n",
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{
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