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"results": [
{
"id": "mp-680377",
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"structure_string": "Rb48 Sn32 Ge4 O16\n1.0\n23.968394 0.000000 0.000000\n0.000000 13.243354 0.000000\n0.000000 6.534574 11.795505\nRb Sn Ge O\n48 32 4 16\ndirect\n0.931747 0.407338 0.168947 Rb\n0.794413 0.661648 0.622513 Rb\n0.027269 0.286772 0.496285 Rb\n0.105399 0.056711 0.906954 Rb\n0.381733 0.880100 0.120881 Rb\n0.205587 0.338352 0.377487 Rb\n0.839643 0.227277 0.095830 Rb\n0.755224 0.841253 0.270968 Rb\n0.161645 0.986904 0.189781 Rb\n0.744776 0.341253 0.270968 Rb\n0.005913 0.045872 0.279889 Rb\n0.160357 0.772723 0.904170 Rb\n0.294413 0.838352 0.377487 Rb\n0.255224 0.658747 0.729032 Rb\n0.690336 0.134083 0.143125 Rb\n0.122322 0.601077 0.474655 Rb\n0.618267 0.119900 0.879119 Rb\n0.472731 0.786772 0.496285 Rb\n0.725260 0.789191 0.839156 Rb\n0.894601 0.943289 0.093046 Rb\n0.225260 0.710809 0.160844 Rb\n0.190336 0.365917 0.856875 Rb\n0.527269 0.213228 0.503715 Rb\n0.568253 0.907338 0.168947 Rb\n0.244776 0.158747 0.729032 Rb\n0.705587 0.161648 0.622513 Rb\n0.339643 0.272723 0.904170 Rb\n0.309664 0.865917 0.856875 Rb\n0.068253 0.592662 0.831053 Rb\n0.394601 0.556711 0.906954 Rb\n0.505913 0.454128 0.720111 Rb\n0.494087 0.545872 0.279889 Rb\n0.774740 0.289191 0.839156 Rb\n0.431747 0.092662 0.831053 Rb\n0.274740 0.210809 0.160844 Rb\n0.972731 0.713228 0.503715 Rb\n0.605399 0.443289 0.093046 Rb\n0.809664 0.634083 0.143125 Rb\n0.877678 0.398923 0.525345 Rb\n0.660357 0.727277 0.095830 Rb\n0.838355 0.013096 0.810219 Rb\n0.338355 0.486904 0.189781 Rb\n0.118267 0.380100 0.120881 Rb\n0.994087 0.954128 0.720111 Rb\n0.622322 0.898923 0.525345 Rb\n0.881733 0.619900 0.879119 Rb\n0.661645 0.513096 0.810219 Rb\n0.377678 0.101077 0.474655 Rb\n0.231978 0.987180 0.524567 Sn\n0.046831 0.801003 0.185647 Sn\n0.132145 0.099558 0.380656 Sn\n0.496474 0.779221 0.967465 Sn\n0.731978 0.512820 0.475433 Sn\n0.544479 0.127160 0.273062 Sn\n0.268022 0.487180 0.524567 Sn\n0.044479 0.372840 0.726938 Sn\n0.867855 0.900442 0.619344 Sn\n0.374740 0.351601 0.549222 Sn\n0.768022 0.012820 0.475433 Sn\n0.632198 0.464958 0.378687 Sn\n0.546831 0.698997 0.814353 Sn\n0.125260 0.851601 0.549222 Sn\n0.568586 0.938013 0.770705 Sn\n0.953169 0.198997 0.814353 Sn\n0.996474 0.720779 0.032535 Sn\n0.625260 0.648399 0.450778 Sn\n0.874740 0.148399 0.450778 Sn\n0.632145 0.400442 0.619344 Sn\n0.931414 0.438013 0.770705 Sn\n0.431414 0.061987 0.229295 Sn\n0.367802 0.535042 0.621313 Sn\n0.503526 0.220779 0.032535 Sn\n0.867802 0.964958 0.378687 Sn\n0.068586 0.561987 0.229295 Sn\n0.453169 0.301003 0.185647 Sn\n0.455521 0.872840 0.726938 Sn\n0.003526 0.279221 0.967465 Sn\n0.955521 0.627160 0.273062 Sn\n0.367855 0.599558 0.380656 Sn\n0.132198 0.035042 0.621313 Sn\n0.257654 0.009330 0.004432 Ge\n0.757654 0.490670 0.995568 Ge\n0.742346 0.990670 0.995568 Ge\n0.242346 0.509330 0.004432 Ge\n0.223252 0.141642 0.976073 O\n0.732817 0.080983 0.844979 O\n0.323630 0.041467 0.929451 O\n0.715185 0.566931 0.048036 O\n0.676370 0.958533 0.070549 O\n0.232817 0.419017 0.155021 O\n0.276748 0.641642 0.976073 O\n0.284815 0.433069 0.951964 O\n0.823630 0.458533 0.070549 O\n0.784815 0.066931 0.048036 O\n0.267183 0.919017 0.155021 O\n0.767183 0.580983 0.844979 O\n0.215185 0.933069 0.951964 O\n0.776748 0.858358 0.023927 O\n0.176370 0.541467 0.929451 O\n0.723252 0.358358 0.023927 O\n",
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"volume": 3744.151921771159,
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"formula_full": "Rb48 Sn32 Ge4 O16",
"formula_reduced": "Rb12Sn8GeO4",
"formula_anonymous": "AB4C8D12",
"energy": -358.15298062,
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"spacegroup": 14
},
{
"id": "mp-651268",
"created_at": "2022-09-04T14:43:22.549224Z",
"structure_string": "Fe2 Cu6 Sn1 S8\n1.0\n7.608687 0.000000 0.000000\n0.000000 7.608687 0.000000\n0.000000 0.000000 5.315702\nFe Cu Sn S\n2 6 1 8\ndirect\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.751210 0.248790 0.500000 Cu\n0.000000 0.500000 0.009619 Cu\n0.751210 0.751210 0.500000 Cu\n0.248790 0.751210 0.500000 Cu\n0.248790 0.248790 0.500000 Cu\n0.500000 0.000000 0.990381 Cu\n0.000000 0.000000 0.000000 Sn\n0.000000 0.266210 0.739331 S\n0.000000 0.733790 0.739331 S\n0.266210 0.000000 0.260669 S\n0.500000 0.741964 0.754212 S\n0.741964 0.500000 0.245788 S\n0.258036 0.500000 0.245788 S\n0.733790 0.000000 0.260669 S\n0.500000 0.258036 0.754212 S\n",
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"formula_full": "Fe2 Cu6 Sn1 S8",
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{
"id": "mp-731715",
"created_at": "2022-09-04T14:43:22.556604Z",
"structure_string": "K8 V4 O18\n1.0\n5.597712 -6.264759 0.000000\n5.597712 6.264759 0.000000\n0.000000 0.000000 8.108649\nK V O\n8 4 18\ndirect\n0.464657 0.535343 0.250000 K\n0.535343 0.464657 0.750000 K\n0.986429 0.013571 0.250000 K\n0.013571 0.986429 0.750000 K\n0.917632 0.530086 0.250000 K\n0.530086 0.917632 0.750000 K\n0.082368 0.469914 0.750000 K\n0.469914 0.082368 0.250000 K\n0.225531 0.774469 0.476348 V\n0.774469 0.225531 0.523652 V\n0.225531 0.774469 0.023652 V\n0.774469 0.225531 0.976348 V\n0.030669 0.717588 0.534714 O\n0.717588 0.030669 0.465286 O\n0.030669 0.717588 0.965286 O\n0.717588 0.030669 0.034714 O\n0.969331 0.282412 0.465286 O\n0.282412 0.969331 0.534714 O\n0.969331 0.282412 0.034714 O\n0.282412 0.969331 0.965286 O\n0.351534 0.648466 0.555070 O\n0.648466 0.351534 0.444930 O\n0.351534 0.648466 0.944930 O\n0.648466 0.351534 0.055070 O\n0.232538 0.767462 0.250000 O\n0.767462 0.232538 0.750000 O\n0.160460 0.304331 0.250000 O\n0.304331 0.160460 0.750000 O\n0.839540 0.695669 0.750000 O\n0.695669 0.839540 0.250000 O\n",
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"formula_full": "K8 V4 O18",
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{
"id": "mp-1223807",
"created_at": "2022-09-04T14:43:22.564114Z",
"structure_string": "In1 Ag1 Se2\n1.0\n7.237728 -2.181837 0.000000\n7.237728 2.181837 0.000000\n6.580006 0.000000 3.721376\nIn Ag Se\n1 1 2\ndirect\n0.507693 0.507693 0.507693 In\n0.993573 0.993573 0.993573 Ag\n0.122013 0.122013 0.122013 Se\n0.626720 0.626720 0.626720 Se\n",
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],
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"formula_full": "In1 Ag1 Se2",
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},
{
"id": "mp-974779",
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"structure_string": "Nd1 Th3\n1.0\n5.081647 0.000000 0.000000\n0.000000 5.081647 0.000000\n0.000000 0.000000 5.081647\nNd Th\n1 3\ndirect\n0.500000 0.500000 0.500000 Nd\n0.500000 0.000000 0.000000 Th\n0.000000 0.500000 0.000000 Th\n0.000000 0.000000 0.500000 Th\n",
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{
"id": "mp-1216174",
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"structure_string": "W2 Se2 S2\n1.0\n-1.628539 -2.821312 0.000191\n-3.257078 0.000000 0.000000\n0.000000 0.000975 -14.916318\nW Se S\n2 2 2\ndirect\n0.666749 0.666625 0.742314 W\n0.333251 0.333375 0.257686 W\n0.666554 0.666723 0.142602 Se\n0.333446 0.333277 0.857398 Se\n0.333296 0.333352 0.639268 S\n0.666704 0.666648 0.360732 S\n",
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{
"id": "mp-777839",
"created_at": "2022-09-04T14:43:22.573530Z",
"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n9.847679 0.000000 0.000000\n0.338824 9.854969 0.000000\n0.384590 0.713891 9.868127\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.022659 0.948729 0.000959 Li\n0.863752 0.257887 0.940657 Li\n0.265470 0.914469 0.869891 Li\n0.358540 0.441089 0.766463 Li\n0.058633 0.141500 0.727477 Li\n0.577531 0.233490 0.631245 Li\n0.231151 0.643622 0.558388 Li\n0.547708 0.484592 0.499154 Li\n0.445440 0.767842 0.352574 Li\n0.643588 0.541049 0.235869 Li\n0.959588 0.843326 0.276610 Li\n0.733601 0.057918 0.148174 Li\n0.524113 0.746421 0.974370 Mn\n0.027488 0.474230 0.261215 Mn\n0.248046 0.259325 0.242651 Mn\n0.469647 0.239146 0.026396 Mn\n0.747178 0.748980 0.754034 V\n0.963618 0.534357 0.752427 V\n0.753588 0.973172 0.536000 V\n0.251095 0.041689 0.462346 V\n0.146526 0.324170 0.946257 P\n0.664694 0.044205 0.854498 P\n0.644442 0.448681 0.825935 P\n0.050449 0.853927 0.672865 P\n0.449595 0.833762 0.639607 P\n0.162410 0.357250 0.552059 P\n0.821535 0.660636 0.453629 P\n0.549757 0.184361 0.352585 P\n0.951861 0.150328 0.325589 P\n0.347729 0.551628 0.173676 P\n0.328745 0.950864 0.148011 P\n0.852673 0.672999 0.052664 P\n0.592742 0.379222 0.964080 O\n0.771708 0.090377 0.947507 O\n0.879717 0.669855 0.891270 O\n0.661733 0.882177 0.882065 O\n0.299926 0.305111 0.906680 O\n0.521319 0.104801 0.885470 O\n0.057238 0.212036 0.902348 O\n0.099421 0.464586 0.882424 O\n0.617602 0.607029 0.829857 O\n0.798694 0.411463 0.815152 O\n0.409112 0.806525 0.791719 O\n0.094183 0.938011 0.788706 O\n0.889752 0.878774 0.672860 O\n0.560594 0.406389 0.708870 O\n0.698055 0.084097 0.701218 O\n0.086328 0.698864 0.691004 O\n0.611535 0.835774 0.622567 O\n0.826542 0.625204 0.614484 O\n0.392369 0.975903 0.590626 O\n0.025810 0.394253 0.623563 O\n0.276713 0.444887 0.595158 O\n0.405586 0.724121 0.549939 O\n0.189858 0.200923 0.583425 O\n0.114512 0.904453 0.535798 O\n0.895644 0.102121 0.467796 O\n0.807231 0.818530 0.420048 O\n0.700485 0.587421 0.407865 O\n0.585856 0.299338 0.437233 O\n0.960650 0.622249 0.387474 O\n0.612866 0.046203 0.405774 O\n0.152843 0.385679 0.393700 O\n0.386113 0.176953 0.369390 O\n0.304299 0.918599 0.304260 O\n0.915698 0.301629 0.292453 O\n0.445158 0.593128 0.279438 O\n0.116129 0.130271 0.328335 O\n0.911248 0.055143 0.219403 O\n0.197261 0.586361 0.203671 O\n0.590371 0.201065 0.198864 O\n0.373586 0.391093 0.166443 O\n0.911103 0.535372 0.117338 O\n0.919384 0.798315 0.095675 O\n0.466574 0.878205 0.113120 O\n0.697606 0.670872 0.085314 O\n0.344241 0.110200 0.118523 O\n0.213270 0.911812 0.062209 O\n0.125191 0.327111 0.104995 O\n0.390041 0.615108 0.029613 O\n",
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{
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{
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{
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{
"id": "mp-1177463",
"created_at": "2022-09-04T14:43:22.595341Z",
"structure_string": "Li8 Mn18 O36\n1.0\n2.914478 0.000000 0.000000\n0.000000 9.037236 0.000000\n0.000000 0.000000 24.971712\nLi Mn O\n8 18 36\ndirect\n0.000000 0.162502 0.000929 Li\n0.000000 0.204004 0.205166 Li\n0.000000 0.295996 0.705166 Li\n0.000000 0.337498 0.500929 Li\n0.000000 0.662502 0.499071 Li\n0.000000 0.704004 0.294834 Li\n0.000000 0.795996 0.794834 Li\n0.000000 0.837498 0.999071 Li\n0.000000 0.000000 0.500000 Mn\n0.000000 0.007961 0.105411 Mn\n0.000000 0.031930 0.309873 Mn\n0.500000 0.136083 0.587527 Mn\n0.500000 0.147033 0.806531 Mn\n0.500000 0.352967 0.306531 Mn\n0.500000 0.363917 0.087527 Mn\n0.000000 0.468070 0.809873 Mn\n0.000000 0.492039 0.605411 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.507961 0.394589 Mn\n0.000000 0.531930 0.190127 Mn\n0.500000 0.636083 0.912473 Mn\n0.500000 0.647033 0.693469 Mn\n0.500000 0.852967 0.193469 Mn\n0.500000 0.863917 0.412473 Mn\n0.000000 0.968070 0.690127 Mn\n0.000000 0.992039 0.894589 Mn\n0.000000 0.005726 0.422776 O\n0.000000 0.994274 0.577224 O\n0.500000 0.027511 0.943963 O\n0.500000 0.047227 0.160040 O\n0.500000 0.094448 0.663735 O\n0.000000 0.103042 0.758592 O\n0.500000 0.153688 0.509702 O\n0.500000 0.151223 0.279428 O\n0.000000 0.195167 0.854478 O\n0.000000 0.225204 0.090525 O\n0.000000 0.274796 0.590525 O\n0.000000 0.304833 0.354478 O\n0.500000 0.348777 0.779428 O\n0.500000 0.346312 0.009702 O\n0.000000 0.396958 0.258592 O\n0.500000 0.405552 0.163735 O\n0.500000 0.452773 0.660040 O\n0.500000 0.472489 0.443963 O\n0.000000 0.505726 0.077224 O\n0.000000 0.494274 0.922776 O\n0.500000 0.527511 0.556037 O\n0.500000 0.547227 0.339960 O\n0.500000 0.594448 0.836265 O\n0.000000 0.603042 0.741408 O\n0.500000 0.653688 0.990298 O\n0.500000 0.651223 0.220572 O\n0.000000 0.695167 0.645522 O\n0.000000 0.725204 0.409475 O\n0.000000 0.774796 0.909475 O\n0.000000 0.804833 0.145522 O\n0.500000 0.848777 0.720572 O\n0.500000 0.846312 0.490298 O\n0.000000 0.896958 0.241408 O\n0.500000 0.905552 0.336265 O\n0.500000 0.952773 0.839960 O\n0.500000 0.972489 0.056037 O\n",
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{
"id": "mp-1373342",
"created_at": "2022-09-04T14:43:22.600024Z",
"structure_string": "Mn4 Zn4 O10\n1.0\n3.632197 0.000000 0.000000\n0.000000 5.472175 0.000000\n0.000000 0.000000 10.489843\nMn Zn O\n4 4 10\ndirect\n0.000000 0.735766 0.132457 Mn\n0.000000 0.264234 0.867543 Mn\n0.000000 0.764234 0.632457 Mn\n0.000000 0.235766 0.367543 Mn\n0.500000 0.770209 0.400454 Zn\n0.500000 0.229791 0.599546 Zn\n0.500000 0.270209 0.099546 Zn\n0.500000 0.729791 0.900454 Zn\n0.000000 0.000000 0.000000 O\n0.000000 0.631957 0.817864 O\n0.000000 0.131957 0.682136 O\n0.000000 0.868043 0.317864 O\n0.500000 0.817385 0.593988 O\n0.500000 0.182615 0.406012 O\n0.000000 0.368043 0.182136 O\n0.500000 0.682615 0.093988 O\n0.000000 0.500000 0.500000 O\n0.500000 0.317385 0.906012 O\n",
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]
}