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{
"id": "mp-757625",
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"structure_string": "Li4 P8 W2 O26\n1.0\n5.185316 0.000000 0.000000\n1.400041 7.936219 0.000000\n1.445216 2.615435 13.347826\nLi P W O\n4 8 2 26\ndirect\n0.376612 0.328643 0.982226 Li\n0.069439 0.317222 0.510589 Li\n0.930561 0.682778 0.489411 Li\n0.623388 0.671357 0.017774 Li\n0.119217 0.795299 0.133844 P\n0.009806 0.903621 0.643933 P\n0.335880 0.571829 0.319415 P\n0.306039 0.661887 0.800981 P\n0.693961 0.338113 0.199019 P\n0.664120 0.428171 0.680585 P\n0.990194 0.096379 0.356067 P\n0.880783 0.204701 0.866156 P\n0.444995 0.053247 0.758928 W\n0.555005 0.946753 0.241072 W\n0.129631 0.646242 0.237398 O\n0.244119 0.714923 0.048095 O\n0.288893 0.031888 0.345482 O\n0.162617 0.044542 0.658188 O\n0.193678 0.524045 0.419024 O\n0.049265 0.751210 0.746575 O\n0.089755 0.820930 0.555666 O\n0.182467 0.143656 0.869376 O\n0.249979 0.941047 0.153683 O\n0.564952 0.198036 0.169673 O\n0.494590 0.399581 0.288777 O\n0.249500 0.519518 0.883088 O\n0.468729 0.302596 0.687023 O\n0.531271 0.697404 0.312977 O\n0.750500 0.480482 0.116912 O\n0.505410 0.600419 0.711223 O\n0.435048 0.801964 0.830327 O\n0.750021 0.058953 0.846317 O\n0.817533 0.856344 0.130624 O\n0.910245 0.179070 0.444334 O\n0.950735 0.248790 0.253425 O\n0.806322 0.475955 0.580976 O\n0.837383 0.955458 0.341812 O\n0.711107 0.968112 0.654518 O\n0.755881 0.285077 0.951905 O\n0.870369 0.353758 0.762602 O\n",
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},
{
"id": "mp-767467",
"created_at": "2022-09-04T14:40:32.240363Z",
"structure_string": "Li7 Y7 Zr9 S32\n1.0\n7.686522 0.000000 0.000000\n3.720183 6.794631 0.000000\n3.470352 1.890909 24.855792\nLi Y Zr S\n7 7 9 32\ndirect\n0.688109 0.685397 0.937175 Li\n0.999721 0.001317 0.999975 Li\n0.437931 0.436298 0.687537 Li\n0.501332 0.500887 0.499569 Li\n0.936004 0.936343 0.188074 Li\n0.185668 0.186090 0.438660 Li\n0.251315 0.250841 0.249752 Li\n0.967811 0.469984 0.594073 Y\n0.217981 0.720428 0.842993 Y\n0.469893 0.968130 0.594154 Y\n0.218135 0.719233 0.343988 Y\n0.719178 0.218145 0.343981 Y\n0.968209 0.469362 0.093764 Y\n0.469481 0.968277 0.093882 Y\n0.344132 0.343257 0.968248 Zr\n0.217658 0.215564 0.841632 Zr\n0.726209 0.214473 0.841321 Zr\n0.844216 0.843542 0.469483 Zr\n0.093240 0.093792 0.719001 Zr\n0.964548 0.966091 0.594871 Zr\n0.593449 0.593931 0.219642 Zr\n0.719243 0.719317 0.344357 Zr\n0.469720 0.468542 0.094030 Zr\n0.917637 0.381116 0.785161 S\n0.379590 0.933572 0.782051 S\n0.056480 0.507292 0.906152 S\n0.520040 0.056588 0.903533 S\n0.531694 0.506678 0.905589 S\n0.266513 0.270024 0.660716 S\n0.411890 0.388554 0.787261 S\n0.902378 0.932598 0.782208 S\n0.024853 0.049505 0.901098 S\n0.792986 0.793642 0.650980 S\n0.135091 0.679537 0.530437 S\n0.678747 0.134712 0.530654 S\n0.803300 0.258617 0.657206 S\n0.256980 0.804275 0.658056 S\n0.019327 0.019392 0.408796 S\n0.146781 0.145972 0.536397 S\n0.895992 0.895744 0.285807 S\n0.667850 0.668906 0.528077 S\n0.418584 0.418592 0.278109 S\n0.541525 0.541775 0.401433 S\n0.884120 0.429540 0.280674 S\n0.429291 0.883669 0.280786 S\n0.553033 0.007914 0.406137 S\n0.758605 0.303502 0.155961 S\n0.303200 0.757900 0.156158 S\n0.008101 0.553485 0.406025 S\n0.769795 0.768959 0.158791 S\n0.646031 0.645917 0.035598 S\n0.170332 0.167691 0.027481 S\n0.291138 0.291939 0.151457 S\n0.633916 0.179936 0.030836 S\n0.181017 0.633217 0.030213 S\n",
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],
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"density": 3.220961971229912,
"density_atomic": 0.0423681335875747,
"volume": 1298.145453736245,
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"formula_full": "Li7 Y7 Zr9 S32",
"formula_reduced": "Li7Y7Zr9S32",
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"updated_at": "2021-11-28T01:35:04.525000Z",
"spacegroup": 1
},
{
"id": "mp-1220309",
"created_at": "2022-09-04T14:40:32.255555Z",
"structure_string": "Nd2 Sn4 Rh1\n1.0\n0.000000 0.000000 4.599695\n4.597617 0.000000 0.000000\n2.298809 8.725687 0.000000\nNd Sn Rh\n2 4 1\ndirect\n0.250000 0.894946 0.210107 Nd\n0.750000 0.103582 0.792837 Nd\n0.250000 0.542433 0.915133 Sn\n0.750000 0.433250 0.133500 Sn\n0.250000 0.261006 0.477989 Sn\n0.750000 0.760284 0.479431 Sn\n0.250000 0.689499 0.621002 Rh\n",
"nsites": 7,
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"elements": [
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],
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"density": 7.7950806325198245,
"density_atomic": 0.03793469395185078,
"volume": 184.52765188734259,
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"formula_full": "Nd2 Sn4 Rh1",
"formula_reduced": "Nd2Sn4Rh",
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"energy": -37.64819163,
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"updated_at": "2021-11-28T01:34:57.627000Z",
"spacegroup": 38
},
{
"id": "mp-1193652",
"created_at": "2022-09-04T14:40:32.264449Z",
"structure_string": "Re4 Te8 Cl16\n1.0\n-5.601478 5.601478 7.145691\n5.601478 -5.601478 7.145691\n5.601478 5.601478 -7.145691\nRe Te Cl\n4 8 16\ndirect\n0.690546 0.529146 0.074856 Re\n0.454290 0.615690 0.925144 Re\n0.470854 0.545710 0.161400 Re\n0.384310 0.309454 0.838600 Re\n0.669985 0.786190 0.249988 Te\n0.536202 0.419997 0.750012 Te\n0.213810 0.463798 0.883795 Te\n0.580003 0.330015 0.116205 Te\n0.899490 0.404100 0.050684 Te\n0.353415 0.848806 0.949316 Te\n0.595900 0.646585 0.495391 Te\n0.151194 0.100510 0.504609 Te\n0.925576 0.607279 0.348086 Cl\n0.259193 0.577490 0.651914 Cl\n0.392721 0.740807 0.318298 Cl\n0.422510 0.074424 0.681702 Cl\n0.890613 0.676553 0.075123 Cl\n0.601430 0.815491 0.924877 Cl\n0.323447 0.398570 0.214061 Cl\n0.184509 0.109387 0.785939 Cl\n0.820542 0.260745 0.758928 Cl\n0.501817 0.061615 0.241072 Cl\n0.739255 0.498183 0.559798 Cl\n0.938385 0.179458 0.440202 Cl\n0.856421 0.186663 0.062732 Cl\n0.123931 0.793689 0.937268 Cl\n0.813337 0.876069 0.669758 Cl\n0.206311 0.143579 0.330242 Cl\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.319477936562757,
"density_atomic": 0.031221124323588992,
"volume": 896.828689120741,
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"formula_full": "Re4 Te8 Cl16",
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"spacegroup": 82
},
{
"id": "mp-1202763",
"created_at": "2022-09-04T14:40:32.269698Z",
"structure_string": "Mg4 W4 O24\n1.0\n10.461529 0.000000 0.000000\n0.000000 5.749099 0.000000\n0.000000 0.392774 8.602231\nMg W O\n4 4 24\ndirect\n0.500116 0.466253 0.182303 Mg\n0.000116 0.533747 0.317697 Mg\n0.499884 0.533747 0.817697 Mg\n0.999884 0.466253 0.682303 Mg\n0.214017 0.696908 0.991418 W\n0.714017 0.303092 0.508582 W\n0.785983 0.303092 0.008582 W\n0.285983 0.696908 0.491418 W\n0.357669 0.656094 0.683093 O\n0.857669 0.343906 0.816907 O\n0.642331 0.343906 0.316907 O\n0.142331 0.656094 0.183093 O\n0.389426 0.562957 0.352388 O\n0.889426 0.437043 0.147612 O\n0.610574 0.437043 0.647612 O\n0.110574 0.562957 0.852388 O\n0.720950 0.000306 0.551912 O\n0.220950 0.999694 0.948088 O\n0.279050 0.999694 0.448088 O\n0.779050 0.000306 0.051912 O\n0.380674 0.573450 0.005223 O\n0.880674 0.426550 0.494777 O\n0.619326 0.426550 0.994777 O\n0.119326 0.573450 0.505223 O\n0.952985 0.945507 0.315731 O\n0.452985 0.054493 0.184269 O\n0.047015 0.054493 0.684269 O\n0.547015 0.945507 0.815731 O\n0.537726 0.904968 0.196026 O\n0.037726 0.095032 0.303974 O\n0.462274 0.095032 0.803974 O\n0.962274 0.904968 0.696026 O\n",
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"formula_full": "Mg4 W4 O24",
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},
{
"id": "mp-1196617",
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"structure_string": "Si44 H252 C84\n1.0\n-9.906655 0.000000 0.586988\n0.011359 0.000000 -17.727098\n0.000000 -25.768834 0.000000\nSi H C\n44 252 84\ndirect\n0.928149 0.947010 0.513493 Si\n0.428149 0.447010 0.986507 Si\n0.071851 0.052990 0.486507 Si\n0.571851 0.552990 0.013493 Si\n0.791619 0.889377 0.444943 Si\n0.291619 0.389377 0.055057 Si\n0.208381 0.110623 0.555057 Si\n0.708381 0.610623 0.944943 Si\n0.743328 0.753441 0.443044 Si\n0.243328 0.253441 0.056956 Si\n0.256672 0.246559 0.556956 Si\n0.756672 0.746559 0.943044 Si\n0.948721 0.689320 0.437739 Si\n0.448721 0.189320 0.062261 Si\n0.051279 0.310680 0.562261 Si\n0.551279 0.810680 0.937739 Si\n0.932535 0.572392 0.392040 Si\n0.432535 0.072392 0.107960 Si\n0.067465 0.427608 0.607960 Si\n0.567465 0.927608 0.892040 Si\n0.866224 0.574556 0.303460 Si\n0.366224 0.074556 0.196540 Si\n0.133776 0.425444 0.696540 Si\n0.633776 0.925444 0.803460 Si\n0.728066 0.678826 0.291398 Si\n0.228066 0.178826 0.208602 Si\n0.271934 0.321174 0.708602 Si\n0.771934 0.821174 0.791398 Si\n0.610271 0.717607 0.367125 Si\n0.110271 0.217607 0.132875 Si\n0.389729 0.282393 0.632875 Si\n0.889729 0.782393 0.867125 Si\n0.614016 0.717272 0.518524 Si\n0.114016 0.217272 0.981476 Si\n0.385984 0.282728 0.481476 Si\n0.885984 0.782728 0.018524 Si\n0.753388 0.455069 0.284166 Si\n0.253388 0.955069 0.215834 Si\n0.246612 0.544931 0.715834 Si\n0.746612 0.044931 0.784166 Si\n0.059556 0.587502 0.248297 Si\n0.559556 0.087502 0.251703 Si\n0.940444 0.412498 0.751703 Si\n0.440444 0.912498 0.748297 Si\n0.090703 0.907262 0.580069 H\n0.590703 0.407262 0.919931 H\n0.909297 0.092738 0.419931 H\n0.409297 0.592738 0.080069 H\n0.113812 0.856305 0.521651 H\n0.613812 0.356305 0.978349 H\n0.886188 0.143695 0.478349 H\n0.386188 0.643695 0.021651 H\n0.975181 0.830663 0.563361 H\n0.475181 0.330663 0.936639 H\n0.024819 0.169337 0.436639 H\n0.524819 0.669337 0.063361 H\n0.732031 0.935759 0.575409 H\n0.232031 0.435759 0.924591 H\n0.267969 0.064241 0.424591 H\n0.767969 0.564241 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"elements": [
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},
{
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"created_at": "2022-09-04T14:40:37.475012Z",
"structure_string": "Ca2 Cd1 Hg1\n1.0\n-6.464141 6.846135 9.139241\n6.464141 -6.846135 9.139241\n6.464141 6.846135 -9.139241\nCa Cd Hg\n2 1 1\ndirect\n0.251680 0.000000 0.251680 Ca\n0.748320 0.000000 0.748320 Ca\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 Hg\n",
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"density": 0.4035419693735034,
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},
{
"id": "mp-1026762",
"created_at": "2022-09-04T14:40:29.983191Z",
"structure_string": "La1 Mg14 Ga1\n1.0\n6.581977 0.124286 0.000000\n-3.183353 5.513729 0.000000\n0.000000 0.000000 10.353472\nLa Mg Ga\n1 14 1\ndirect\n0.144247 0.322123 0.125000 La\n0.166239 0.333119 0.625000 Mg\n0.159536 0.829767 0.625000 Mg\n0.640302 0.312685 0.125000 Mg\n0.666658 0.339158 0.625000 Mg\n0.640302 0.827615 0.125000 Mg\n0.666658 0.827498 0.625000 Mg\n0.339297 0.166133 0.382850 Mg\n0.339297 0.166133 0.867150 Mg\n0.339297 0.673165 0.382850 Mg\n0.339297 0.673165 0.867150 Mg\n0.828103 0.164052 0.387981 Mg\n0.828103 0.164052 0.862019 Mg\n0.849159 0.674580 0.356112 Mg\n0.849159 0.674580 0.893888 Mg\n0.204348 0.852174 0.125000 Ga\n",
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"density": 2.3996299938818337,
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"volume": 379.83662287764014,
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"formula_full": "La1 Mg14 Ga1",
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}
]
}