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{
"id": "mp-510532",
"created_at": "2022-09-04T14:47:56.918265Z",
"structure_string": "Fe4 Co2 As4 H20 O28\n1.0\n9.692533 0.000000 0.000000\n0.000000 5.637844 0.000000\n0.000000 0.722661 10.418336\nFe Co As H O\n4 2 4 20 28\ndirect\n0.864241 0.338369 0.549379 Fe\n0.364241 0.161631 0.450621 Fe\n0.135759 0.661631 0.450621 Fe\n0.635759 0.838369 0.549379 Fe\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.568400 0.327539 0.706445 As\n0.068400 0.172461 0.293555 As\n0.431600 0.672461 0.293555 As\n0.931600 0.827539 0.706445 As\n0.841519 0.982423 0.417707 H\n0.341519 0.517577 0.582293 H\n0.158481 0.017577 0.582293 H\n0.658481 0.482423 0.417707 H\n0.084568 0.241616 0.785891 H\n0.584568 0.258384 0.214109 H\n0.915432 0.758384 0.214109 H\n0.415432 0.741616 0.785891 H\n0.057974 0.453485 0.874123 H\n0.557974 0.046515 0.125877 H\n0.942026 0.546515 0.125877 H\n0.442026 0.953485 0.874123 H\n0.787259 0.215792 0.871762 H\n0.287259 0.284208 0.128238 H\n0.212741 0.784208 0.128238 H\n0.712741 0.715792 0.871762 H\n0.747231 0.180160 0.021157 H\n0.247231 0.319840 0.978843 H\n0.252769 0.819840 0.978843 H\n0.752769 0.680160 0.021157 H\n0.513427 0.119744 0.599628 O\n0.013427 0.380256 0.400372 O\n0.486573 0.880256 0.400372 O\n0.986573 0.619744 0.599628 O\n0.504655 0.603542 0.650017 O\n0.004655 0.896458 0.349983 O\n0.495345 0.396458 0.349983 O\n0.995345 0.103542 0.650017 O\n0.500786 0.254277 0.854037 O\n0.000786 0.245723 0.145963 O\n0.499214 0.745723 0.145963 O\n0.999214 0.754277 0.854037 O\n0.746193 0.319727 0.709748 O\n0.246193 0.180273 0.290252 O\n0.253807 0.680273 0.290252 O\n0.753807 0.819727 0.709748 O\n0.771884 0.070606 0.465382 O\n0.271884 0.429394 0.534618 O\n0.228116 0.929394 0.534618 O\n0.728116 0.570606 0.465382 O\n0.096594 0.288589 0.874892 O\n0.596594 0.211411 0.125108 O\n0.903406 0.711411 0.125108 O\n0.403406 0.788589 0.874892 O\n0.809103 0.125166 0.954102 O\n0.309103 0.374834 0.045898 O\n0.190897 0.874834 0.045898 O\n0.690897 0.625166 0.954102 O\n",
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"formula_full": "Fe4 Co2 As4 H20 O28",
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"updated_at": "2021-11-28T01:38:16.691000Z",
"spacegroup": 14
},
{
"id": "mp-765543",
"created_at": "2022-09-04T14:40:58.417749Z",
"structure_string": "Sr3 Rh16 O32\n1.0\n8.201239 0.000000 0.000000\n1.924319 8.539117 0.000000\n2.987047 3.293837 8.810513\nSr Rh O\n3 16 32\ndirect\n0.984138 0.983684 0.015924 Sr\n0.672126 0.672283 0.327476 Sr\n0.304631 0.304308 0.696017 Sr\n0.943971 0.219943 0.246138 Rh\n0.879620 0.199849 0.620563 Rh\n0.370546 0.050418 0.129258 Rh\n0.806405 0.530548 0.005005 Rh\n0.555391 0.280810 0.255462 Rh\n0.305528 0.029549 0.504512 Rh\n0.621868 0.299319 0.880961 Rh\n0.870208 0.548178 0.632431 Rh\n0.130097 0.450913 0.368727 Rh\n0.377512 0.700835 0.118844 Rh\n0.192624 0.470155 0.995999 Rh\n0.694382 0.969629 0.495279 Rh\n0.444412 0.718147 0.744802 Rh\n0.628142 0.949142 0.871055 Rh\n0.119529 0.798797 0.380697 Rh\n0.056085 0.779858 0.754197 Rh\n0.869418 0.110452 0.470946 O\n0.756599 0.086813 0.261160 O\n0.632568 0.050624 0.024529 O\n0.882560 0.299098 0.775814 O\n0.620357 0.195545 0.728471 O\n0.872224 0.445899 0.477769 O\n0.493460 0.162321 0.488862 O\n0.745430 0.414172 0.237769 O\n0.381083 0.139384 0.279474 O\n0.632378 0.388257 0.030620 O\n0.113264 0.027697 0.212334 O\n0.994353 0.666415 0.987963 O\n0.880191 0.638715 0.780715 O\n0.363783 0.278897 0.960616 O\n0.861872 0.775919 0.461926 O\n0.615145 0.526948 0.714751 O\n0.137247 0.222632 0.538195 O\n0.635306 0.721281 0.041104 O\n0.385121 0.472845 0.284982 O\n0.119199 0.361228 0.220294 O\n0.004785 0.335738 0.012922 O\n0.885829 0.971609 0.788380 O\n0.618176 0.860423 0.720448 O\n0.367970 0.611768 0.969205 O\n0.253642 0.584495 0.763440 O\n0.505757 0.836725 0.511493 O\n0.128449 0.551821 0.523831 O\n0.377385 0.804244 0.272206 O\n0.116349 0.700489 0.224467 O\n0.366983 0.949255 0.975997 O\n0.244723 0.912103 0.737635 O\n0.129876 0.888520 0.529639 O\n",
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"formula_full": "Sr3 Rh16 O32",
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"formula_anonymous": "A3B16C32",
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},
{
"id": "mp-1217235",
"created_at": "2022-09-04T14:45:13.087423Z",
"structure_string": "Ti8 Fe2 Bi6 O28\n1.0\n-5.107188 -0.042993 5.107187\n-5.150212 0.000002 -5.150211\n-0.042991 -10.257418 0.042995\nTi Fe Bi O\n8 2 6 28\ndirect\n0.250000 0.750000 0.250000 Ti\n0.750000 0.250000 0.750000 Ti\n0.999999 0.499999 0.499999 Ti\n0.500001 0.000001 0.000001 Ti\n0.750000 0.750000 0.250000 Ti\n0.250000 0.250000 0.750000 Ti\n0.999999 0.000001 0.499999 Ti\n0.500000 0.499999 0.000001 Ti\n0.250000 0.749998 0.750003 Fe\n0.750000 0.250003 0.250000 Fe\n0.000000 0.499999 0.000000 Bi\n0.500000 0.000001 0.500000 Bi\n0.250000 0.250000 0.250000 Bi\n0.750000 0.750000 0.750000 Bi\n0.000000 0.000001 0.000000 Bi\n0.500000 0.499999 0.500000 Bi\n0.965995 0.250000 0.141997 O\n0.465994 0.750000 0.641997 O\n0.034006 0.750000 0.858003 O\n0.534005 0.250000 0.358003 O\n0.796074 0.047372 0.625648 O\n0.296074 0.547372 0.125649 O\n0.796074 0.452627 0.625648 O\n0.296074 0.952628 0.125649 O\n0.998705 0.250000 0.828277 O\n0.498706 0.750000 0.328276 O\n0.203926 0.952628 0.374351 O\n0.703926 0.452627 0.874352 O\n0.203926 0.547372 0.374351 O\n0.703926 0.047372 0.874352 O\n0.001294 0.750000 0.171724 O\n0.501295 0.250000 0.671723 O\n0.199021 0.450802 0.625886 O\n0.699021 0.950802 0.125887 O\n0.199020 0.049198 0.625886 O\n0.699021 0.549198 0.125887 O\n0.998221 0.250000 0.425090 O\n0.498221 0.750000 0.925091 O\n0.800979 0.549198 0.374113 O\n0.300980 0.049198 0.874114 O\n0.800979 0.950802 0.374113 O\n0.300979 0.450802 0.874114 O\n0.001779 0.750000 0.574909 O\n0.501779 0.250000 0.074910 O\n",
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"formula_full": "Ti8 Fe2 Bi6 O28",
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{
"id": "mp-1197791",
"created_at": "2022-09-04T14:45:36.643130Z",
"structure_string": "La4 Tl4 S8 O40\n1.0\n-7.340194 0.000000 0.245565\n-0.041089 0.000000 -11.287458\n0.000000 -11.903185 0.000000\nLa Tl S O\n4 4 8 40\ndirect\n0.250309 0.836758 0.081597 La\n0.750309 0.336758 0.418403 La\n0.749691 0.163242 0.918403 La\n0.249691 0.663242 0.581597 La\n0.750618 0.822215 0.370520 Tl\n0.250618 0.322215 0.129480 Tl\n0.249382 0.177785 0.629480 Tl\n0.749382 0.677785 0.870520 Tl\n0.753507 0.928563 0.059122 S\n0.253507 0.428563 0.440878 S\n0.246493 0.071437 0.940878 S\n0.746493 0.571437 0.559122 S\n0.248285 0.881144 0.407977 S\n0.748285 0.381144 0.092023 S\n0.751715 0.118856 0.592023 S\n0.251715 0.618856 0.907977 S\n0.914495 0.863430 0.097784 O\n0.414495 0.363430 0.402216 O\n0.085505 0.136570 0.902216 O\n0.585505 0.636570 0.597784 O\n0.586641 0.872416 0.109079 O\n0.086641 0.372416 0.390921 O\n0.413359 0.127584 0.890921 O\n0.913359 0.627584 0.609079 O\n0.771227 0.055964 0.093898 O\n0.271227 0.555964 0.406102 O\n0.228773 0.944036 0.906102 O\n0.728773 0.444036 0.593898 O\n0.741089 0.931045 0.933268 O\n0.241089 0.431045 0.566732 O\n0.258911 0.068955 0.066732 O\n0.758911 0.568955 0.433268 O\n0.247622 0.857590 0.283533 O\n0.747622 0.357590 0.216467 O\n0.752378 0.142410 0.716467 O\n0.252378 0.642410 0.783533 O\n0.410227 0.822048 0.460173 O\n0.910227 0.322048 0.039827 O\n0.589773 0.177952 0.539827 O\n0.089773 0.677952 0.960173 O\n0.244525 0.007182 0.430586 O\n0.744525 0.507182 0.069414 O\n0.755475 0.992818 0.569414 O\n0.255475 0.492818 0.930586 O\n0.089018 0.812827 0.461234 O\n0.589018 0.312827 0.038766 O\n0.910982 0.187173 0.538766 O\n0.410982 0.687173 0.961234 O\n0.080734 0.612203 0.208233 O\n0.580734 0.112203 0.291767 O\n0.919266 0.387797 0.791767 O\n0.419266 0.887797 0.708233 O\n0.240867 0.594293 0.183007 O\n0.740867 0.094293 0.316993 O\n0.759133 0.405707 0.816993 O\n0.259133 0.905707 0.683007 O\n",
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"formula_full": "La4 Tl4 S8 O40",
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},
{
"id": "mp-1195251",
"created_at": "2022-09-04T14:44:12.151984Z",
"structure_string": "Rb16 Ge4 P16 Se48\n1.0\n7.547933 0.000000 0.000000\n0.000000 14.601219 0.000000\n0.000000 0.000000 24.781430\nRb Ge P Se\n16 4 16 48\ndirect\n0.710349 0.529889 0.938541 Rb\n0.289651 0.470111 0.438541 Rb\n0.710349 0.970111 0.438541 Rb\n0.289651 0.029889 0.938541 Rb\n0.807350 0.876273 0.838242 Rb\n0.192650 0.123727 0.338242 Rb\n0.807350 0.623727 0.338242 Rb\n0.192650 0.376273 0.838242 Rb\n0.812186 0.176129 0.713103 Rb\n0.187814 0.823871 0.213103 Rb\n0.812186 0.323871 0.213103 Rb\n0.187814 0.676129 0.713103 Rb\n0.805121 0.334430 0.564287 Rb\n0.194879 0.665570 0.064287 Rb\n0.805121 0.165570 0.064287 Rb\n0.194879 0.834430 0.564287 Rb\n0.657036 0.580079 0.632261 Ge\n0.342964 0.419921 0.132261 Ge\n0.657036 0.919921 0.132261 Ge\n0.342964 0.080079 0.632261 Ge\n0.697521 0.595140 0.779474 P\n0.302479 0.404860 0.279474 P\n0.697521 0.904860 0.279474 P\n0.302479 0.095140 0.779474 P\n0.248999 0.951314 0.744116 P\n0.751001 0.048686 0.244116 P\n0.248999 0.548686 0.244116 P\n0.751001 0.451314 0.744116 P\n0.853925 0.607880 0.500239 P\n0.146075 0.392120 0.000239 P\n0.853925 0.892120 0.000239 P\n0.146075 0.107880 0.500239 P\n0.629048 0.710621 0.516172 P\n0.370952 0.289379 0.016172 P\n0.629048 0.789379 0.016172 P\n0.370952 0.210621 0.516172 P\n0.444285 0.594863 0.819272 Se\n0.555715 0.405137 0.319272 Se\n0.444285 0.905137 0.319272 Se\n0.555715 0.094863 0.819272 Se\n0.927786 0.632518 0.826542 Se\n0.072214 0.367482 0.326542 Se\n0.927786 0.867482 0.326542 Se\n0.072214 0.132518 0.826542 Se\n0.695449 0.691456 0.702913 Se\n0.304551 0.308544 0.202913 Se\n0.695449 0.808544 0.202913 Se\n0.304551 0.191456 0.702913 Se\n0.315840 0.852457 0.804991 Se\n0.684160 0.147543 0.304991 Se\n0.315840 0.647543 0.304991 Se\n0.684160 0.352457 0.804991 Se\n0.989631 0.940679 0.706779 Se\n0.010369 0.059321 0.206779 Se\n0.989631 0.559321 0.206779 Se\n0.010369 0.440679 0.706779 Se\n0.459731 0.945390 0.675651 Se\n0.540269 0.054610 0.175651 Se\n0.459731 0.554610 0.175651 Se\n0.540269 0.445390 0.675651 Se\n0.940855 0.566853 0.587561 Se\n0.059145 0.433147 0.087561 Se\n0.940855 0.933147 0.087561 Se\n0.059145 0.066853 0.587561 Se\n0.762090 0.012386 0.957545 Se\n0.237910 0.987614 0.457545 Se\n0.762090 0.487614 0.457545 Se\n0.237910 0.512386 0.957545 Se\n0.928205 0.317764 0.964140 Se\n0.071795 0.682236 0.464140 Se\n0.928205 0.182236 0.464140 Se\n0.071795 0.817764 0.964140 Se\n0.435861 0.614907 0.565564 Se\n0.564139 0.385093 0.065564 Se\n0.435861 0.885093 0.065564 Se\n0.564139 0.114907 0.565564 Se\n0.512293 0.755158 0.939852 Se\n0.487707 0.244842 0.439852 Se\n0.512293 0.744842 0.439852 Se\n0.487707 0.255158 0.939852 Se\n0.714897 0.820068 0.568846 Se\n0.285103 0.179932 0.068846 Se\n0.714897 0.679932 0.068846 Se\n0.285103 0.320068 0.568846 Se\n",
"nsites": 84,
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"elements": [
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"volume": 2731.1371821600073,
"volume_molar": 19.580110173615864,
"formula_full": "Rb16 Ge4 P16 Se48",
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},
{
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"updated_at": "2021-11-28T01:38:06.401000Z",
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},
{
"id": "mp-1249267",
"created_at": "2022-09-04T14:40:43.122050Z",
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}
]
}