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{
"id": "mp-1043238",
"created_at": "2022-09-04T14:44:07.013996Z",
"structure_string": "Ge4 Mo2 O12\n1.0\n4.553981 5.073391 0.000000\n-4.553981 5.073391 0.000000\n0.000000 1.657489 5.425534\nGe Mo O\n4 2 12\ndirect\n0.209748 0.384670 0.761198 Ge\n0.615330 0.790252 0.738802 Ge\n0.790252 0.615330 0.238802 Ge\n0.384670 0.209748 0.261198 Ge\n0.096402 0.903598 0.750000 Mo\n0.903599 0.096401 0.250000 Mo\n0.385576 0.335145 0.501459 O\n0.664855 0.614424 0.998541 O\n0.614424 0.664855 0.498541 O\n0.335145 0.385576 0.001459 O\n0.627956 0.099374 0.190426 O\n0.900626 0.372044 0.309574 O\n0.372044 0.900626 0.809574 O\n0.099374 0.627956 0.690426 O\n0.039063 0.184564 0.864579 O\n0.815436 0.960937 0.635421 O\n0.960937 0.815436 0.135421 O\n0.184564 0.039063 0.364579 O\n",
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{
"id": "mp-1206671",
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"structure_string": "Lu2 Se2 I2\n1.0\n10.250728 0.000000 0.000000\n0.000000 13.776492 0.000000\n0.000000 0.000000 42.139934\nLu Se I\n2 2 2\ndirect\n0.500000 0.500000 0.114470 Lu\n0.500000 0.500000 0.885530 Lu\n0.500000 0.500000 0.670397 Se\n0.500000 0.500000 0.329603 Se\n0.500000 0.500000 0.049139 I\n0.500000 0.500000 0.950861 I\n",
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"Se",
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},
{
"id": "mp-1206849",
"created_at": "2022-09-04T14:44:14.960285Z",
"structure_string": "Sr2 P2 Au2\n1.0\n2.192605 -3.797703 0.000000\n2.192605 3.797703 0.000000\n0.000000 0.000000 8.550800\nSr P Au\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.333333 0.666667 0.250000 P\n0.666667 0.333333 0.750000 P\n0.333333 0.666667 0.750000 Au\n0.666667 0.333333 0.250000 Au\n",
"nsites": 6,
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"elements": [
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"formula_full": "Sr2 P2 Au2",
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"updated_at": "2021-11-28T01:36:31.209000Z",
"spacegroup": 194
},
{
"id": "mp-1191181",
"created_at": "2022-09-04T14:44:06.481783Z",
"structure_string": "Ho2 Fe12 P7\n1.0\n4.483858 -7.766271 0.000000\n4.483858 7.766271 0.000000\n0.000000 0.000000 3.635577\nHo Fe P\n2 12 7\ndirect\n0.000000 0.000000 0.000000 Ho\n0.333333 0.666667 0.500000 Ho\n0.293959 0.905128 0.000000 Fe\n0.611169 0.706041 0.000000 Fe\n0.094872 0.388831 0.000000 Fe\n0.786306 0.178253 0.000000 Fe\n0.391947 0.213694 0.000000 Fe\n0.821747 0.608053 0.000000 Fe\n0.715308 0.949484 0.500000 Fe\n0.234177 0.284692 0.500000 Fe\n0.050516 0.765823 0.500000 Fe\n0.545738 0.115270 0.500000 Fe\n0.569532 0.454262 0.500000 Fe\n0.884730 0.430468 0.500000 Fe\n0.552408 0.923073 0.000000 P\n0.370665 0.447592 0.000000 P\n0.076927 0.629335 0.000000 P\n0.956053 0.220708 0.500000 P\n0.264655 0.043947 0.500000 P\n0.779292 0.735345 0.500000 P\n0.666667 0.333333 0.000000 P\n",
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"updated_at": "2021-11-28T01:36:26.277000Z",
"spacegroup": 174
},
{
"id": "mp-1208787",
"created_at": "2022-09-04T14:44:06.659883Z",
"structure_string": "Ti6 C140 Cl26\n1.0\n10.365653 -0.004700 0.163273\n2.536484 13.752245 0.925974\n-0.011381 0.016691 16.904443\nTi C Cl\n6 140 26\ndirect\n0.071832 0.770939 0.131318 Ti\n0.928168 0.229061 0.868682 Ti\n0.073657 0.784572 0.363122 Ti\n0.926343 0.215428 0.636878 Ti\n0.188724 0.343141 0.736919 Ti\n0.811276 0.656859 0.263082 Ti\n0.264366 0.053596 0.139269 C\n0.735634 0.946404 0.860731 C\n0.401232 0.217835 0.494611 C\n0.598768 0.782165 0.505389 C\n0.148623 0.217657 0.095519 C\n0.851377 0.782343 0.904481 C\n0.470166 0.187281 0.009859 C\n0.529834 0.812719 0.990141 C\n0.175486 0.436931 0.197579 C\n0.824514 0.563069 0.802421 C\n0.779682 0.197225 0.206292 C\n0.220318 0.802775 0.793708 C\n0.588574 0.285508 0.465071 C\n0.411426 0.714492 0.534929 C\n0.741887 0.303619 0.203549 C\n0.258113 0.696381 0.796451 C\n0.522872 0.464436 0.221819 C\n0.477128 0.535564 0.778181 C\n0.695845 0.048924 0.375861 C\n0.304155 0.951076 0.624139 C\n0.563133 0.431608 0.145739 C\n0.436867 0.568392 0.854261 C\n0.115193 0.157320 0.225691 C\n0.884807 0.842680 0.774309 C\n0.488634 0.015389 0.112036 C\n0.511366 0.984611 0.887964 C\n0.591580 0.141847 0.041522 C\n0.408420 0.858153 0.958478 C\n0.739207 0.295514 0.351668 C\n0.260793 0.704486 0.648332 C\n0.717199 0.135108 0.413457 C\n0.282801 0.864892 0.586543 C\n0.099625 0.298990 0.142918 C\n0.900375 0.701010 0.857082 C\n0.372350 0.389047 0.442002 C\n0.627650 0.610953 0.557998 C\n0.243464 0.380778 0.412324 C\n0.756536 0.619222 0.587677 C\n0.096744 0.314589 0.289817 C\n0.903256 0.685411 0.710183 C\n0.624100 0.179512 0.467461 C\n0.375900 0.820488 0.532539 C\n0.363008 0.061840 0.078902 C\n0.636992 0.938160 0.921098 C\n0.532135 0.021607 0.807864 C\n0.467865 0.978393 0.192135 C\n0.245297 0.394741 0.069775 C\n0.754703 0.605259 0.930225 C\n0.126479 0.258910 0.362838 C\n0.873521 0.741090 0.637162 C\n0.585420 0.008524 0.393808 C\n0.414580 0.991476 0.606192 C\n0.293535 0.316504 0.024128 C\n0.706465 0.683496 0.975872 C\n0.679936 0.199427 0.072136 C\n0.320064 0.800573 0.927864 C\n0.484640 0.022626 0.668300 C\n0.515360 0.977374 0.331700 C\n0.790720 0.144755 0.281680 C\n0.209280 0.855245 0.718320 C\n0.196392 0.293563 0.425260 C\n0.803608 0.706437 0.574740 C\n0.147232 0.385596 0.130387 C\n0.852768 0.614404 0.869613 C\n0.623795 0.998539 0.651471 C\n0.376205 0.001461 0.348529 C\n0.358784 0.047667 0.421212 C\n0.641216 0.952333 0.578788 C\n0.163246 0.154767 0.365385 C\n0.836754 0.845233 0.634615 C\n0.291623 0.477580 0.179140 C\n0.708377 0.522420 0.820860 C\n0.610147 0.429546 0.285371 C\n0.389853 0.570454 0.714629 C\n0.222853 0.434995 0.337224 C\n0.777147 0.565005 0.662776 C\n0.509051 0.140167 0.486316 C\n0.490949 0.859833 0.513684 C\n0.159195 0.130159 0.147422 C\n0.840805 0.869841 0.852578 C\n0.644780 0.342137 0.408542 C\n0.355220 0.657863 0.591458 C\n0.644378 0.300423 0.069544 C\n0.355622 0.699577 0.930456 C\n0.744370 0.147238 0.141658 C\n0.255630 0.852762 0.858342 C\n0.469314 0.428523 0.084457 C\n0.530686 0.571477 0.915543 C\n0.681425 0.015761 0.232824 C\n0.318575 0.984239 0.767176 C\n0.741828 0.055353 0.294783 C\n0.258172 0.944647 0.705217 C\n0.436667 0.024893 0.748180 C\n0.563333 0.975107 0.251820 C\n0.147296 0.405561 0.276366 C\n0.852704 0.594439 0.723634 C\n0.564870 0.424961 0.366504 C\n0.435130 0.575039 0.633496 C\n0.170953 0.103545 0.295127 C\n0.829047 0.896455 0.704873 C\n0.774954 0.194141 0.354658 C\n0.225046 0.805859 0.645342 C\n0.519323 0.347716 0.036268 C\n0.480677 0.652284 0.963732 C\n0.449363 0.309518 0.482203 C\n0.550637 0.690482 0.517797 C\n0.334946 0.451331 0.100995 C\n0.665054 0.548669 0.899005 C\n0.338673 0.476547 0.318679 C\n0.661327 0.523453 0.681321 C\n0.078586 0.261640 0.223036 C\n0.921414 0.738360 0.776964 C\n0.695775 0.057499 0.154817 C\n0.304225 0.942501 0.845183 C\n0.671762 0.352301 0.136724 C\n0.328238 0.647699 0.863276 C\n0.381801 0.488568 0.239125 C\n0.618199 0.511432 0.760875 C\n0.430616 0.448326 0.383048 C\n0.569384 0.551674 0.616952 C\n0.491586 0.041080 0.462006 C\n0.508414 0.958920 0.537994 C\n0.275736 0.211060 0.467144 C\n0.724264 0.788940 0.532856 C\n0.353489 0.146470 0.028801 C\n0.646511 0.853530 0.971199 C\n0.244476 0.225975 0.037476 C\n0.755524 0.774025 0.962524 C\n0.718410 0.349791 0.276547 C\n0.281590 0.650209 0.723453 C\n0.255564 0.124648 0.429488 C\n0.744436 0.875352 0.570512 C\n0.600938 0.054566 0.093685 C\n0.399062 0.945434 0.906315 C\n0.433195 0.292549 0.006934 C\n0.566805 0.707451 0.993066 C\n0.671373 0.997636 0.790962 C\n0.328627 0.002364 0.209038 C\n0.281727 0.023821 0.286141 C\n0.718273 0.976179 0.713859 C\n0.036826 0.915371 0.432829 Cl\n0.963174 0.084629 0.567171 Cl\n0.154447 0.448573 0.630622 Cl\n0.845553 0.551427 0.369378 Cl\n0.160492 0.454652 0.826804 Cl\n0.839508 0.545348 0.173196 Cl\n0.290636 0.764944 0.347356 Cl\n0.709364 0.235056 0.652644 Cl\n0.045339 0.889907 0.237227 Cl\n0.954661 0.110093 0.762773 Cl\n0.064914 0.658050 0.258933 Cl\n0.935086 0.341950 0.741067 Cl\n0.404547 0.302174 0.735225 Cl\n0.595453 0.697826 0.264775 Cl\n0.036129 0.891850 0.039689 Cl\n0.963871 0.108150 0.960311 Cl\n0.081025 0.666312 0.459181 Cl\n0.918975 0.333688 0.540819 Cl\n0.171728 0.216987 0.845459 Cl\n0.828272 0.783013 0.154541 Cl\n0.069268 0.646757 0.055651 Cl\n0.930732 0.353243 0.944349 Cl\n0.289178 0.750186 0.142798 Cl\n0.710822 0.249814 0.857202 Cl\n0.167794 0.208586 0.650614 Cl\n0.832206 0.791414 0.349386 Cl\n",
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],
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"volume": 2409.8190847601386,
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"formula_full": "Ti6 C140 Cl26",
"formula_reduced": "Ti3C70Cl13",
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"updated_at": "2021-11-28T01:36:29.503000Z",
"spacegroup": 2
},
{
"id": "mp-1030736",
"created_at": "2022-09-04T14:44:06.739087Z",
"structure_string": "Te4 Mo3 W1 Se4\n1.0\n1.720092 -2.979287 0.000000\n1.720092 2.979287 0.000000\n0.000000 0.000000 39.063468\nTe Mo W Se\n4 3 1 4\ndirect\n0.333333 0.666667 0.329253 Te\n0.333333 0.666667 0.705281 Te\n0.333333 0.666667 0.234327 Te\n0.333333 0.666667 0.609782 Te\n0.333333 0.666667 0.093934 Mo\n0.333333 0.666667 0.469662 Mo\n0.666667 0.333333 0.281829 Mo\n0.666667 0.333333 0.657535 W\n0.666667 0.333333 0.052092 Se\n0.666667 0.333333 0.427777 Se\n0.666667 0.333333 0.135769 Se\n0.666667 0.333333 0.511506 Se\n",
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],
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{
"id": "mp-1174579",
"created_at": "2022-09-04T14:44:06.757037Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n1.446593 9.837247 0.000000\n-1.446593 9.837247 0.000000\n0.000000 4.001786 8.960842\nLi Mn Co O\n8 2 4 14\ndirect\n0.500000 0.500000 0.000000 Li\n0.211485 0.211485 0.152818 Li\n0.927916 0.927916 0.294311 Li\n0.631934 0.631934 0.441437 Li\n0.368066 0.368066 0.558563 Li\n0.072084 0.072084 0.705689 Li\n0.788515 0.788515 0.847182 Li\n0.000000 0.000000 0.500000 Li\n0.142810 0.142810 0.932532 Mn\n0.857190 0.857190 0.067468 Mn\n0.562613 0.562613 0.238365 Co\n0.284437 0.284437 0.361441 Co\n0.715563 0.715563 0.638559 Co\n0.437387 0.437387 0.761635 Co\n0.612070 0.612070 0.833114 O\n0.324256 0.324256 0.978262 O\n0.047728 0.047728 0.099210 O\n0.760628 0.760628 0.240524 O\n0.469305 0.469305 0.378498 O\n0.182603 0.182603 0.534786 O\n0.893605 0.893605 0.687792 O\n0.387930 0.387930 0.166886 O\n0.106395 0.106395 0.312208 O\n0.817397 0.817397 0.465214 O\n0.530695 0.530695 0.621502 O\n0.239372 0.239372 0.759476 O\n0.952272 0.952272 0.900790 O\n0.675744 0.675744 0.021738 O\n",
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{
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}