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{
"id": "mp-757588",
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"structure_string": "Y11 Ta5 O28\n1.0\n5.267897 3.727580 0.004379\n-5.352402 11.294031 -3.684032\n0.004445 0.002496 7.371293\nY Ta O\n11 5 28\ndirect\n0.033330 0.503292 0.250873 Y\n0.250136 0.748853 0.376014 Y\n0.972318 0.497316 0.748804 Y\n0.250866 0.250062 0.373743 Y\n0.742905 0.747267 0.618841 Y\n0.754348 0.751557 0.130371 Y\n0.252125 0.249217 0.873434 Y\n0.528435 0.000891 0.998781 Y\n0.772466 0.229594 0.114289 Y\n0.467258 0.995273 0.497063 Y\n0.729287 0.268420 0.633841 Y\n0.249898 0.748971 0.874588 Ta\n0.991564 0.003745 0.735971 Ta\n0.509187 0.494116 0.480747 Ta\n0.509431 0.494777 0.011806 Ta\n0.991656 0.004189 0.266801 Ta\n0.129939 0.940978 0.469690 O\n0.895009 0.032744 0.015924 O\n0.110192 0.841392 0.722213 O\n0.101452 0.838570 0.118919 O\n0.044678 0.318342 0.659684 O\n0.053899 0.318319 0.158336 O\n0.520116 0.817924 0.910344 O\n0.548837 0.803930 0.400537 O\n0.218444 0.460434 0.955737 O\n0.719150 0.946144 0.694988 O\n0.394123 0.658288 0.027537 O\n0.398422 0.660082 0.628191 O\n0.717873 0.947491 0.250754 O\n0.218575 0.459612 0.503098 O\n0.606854 0.465273 0.731851 O\n0.371008 0.556823 0.277967 O\n0.782283 0.551524 0.053235 O\n0.282155 0.040262 0.791997 O\n0.281879 0.037893 0.243986 O\n0.588439 0.335739 0.946758 O\n0.782663 0.550259 0.496214 O\n0.588732 0.335529 0.387521 O\n0.950295 0.695257 0.349304 O\n0.457616 0.179936 0.089358 O\n0.446847 0.180397 0.588552 O\n0.981966 0.680262 0.836769 O\n0.911362 0.162688 0.360287 O\n0.909501 0.162170 0.800834 O\n",
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{
"id": "mp-861727",
"created_at": "2022-09-04T14:42:21.276079Z",
"structure_string": "Pu2 Br4\n1.0\n7.238980 0.000000 0.000000\n0.000000 7.238980 0.000000\n0.000000 0.000000 4.244123\nPu Br\n2 4\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Pu\n0.294593 0.294593 0.000000 Br\n0.705407 0.705407 0.000000 Br\n0.205407 0.794593 0.500000 Br\n0.794593 0.205407 0.500000 Br\n",
"nsites": 6,
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"volume": 222.40406218132475,
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"formula_full": "Pu2 Br4",
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"spacegroup": 136
},
{
"id": "mp-569674",
"created_at": "2022-09-04T14:42:21.335288Z",
"structure_string": "La1 Co2 As2\n1.0\n-2.040002 2.040002 5.194409\n2.040002 -2.040002 5.194409\n2.040002 2.040002 -5.194409\nLa Co As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 La\n0.750000 0.250000 0.500000 Co\n0.250000 0.750000 0.500000 Co\n0.362314 0.362314 0.000000 As\n0.637686 0.637686 0.000000 As\n",
"nsites": 5,
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{
"id": "mp-752650",
"created_at": "2022-09-04T14:42:21.693008Z",
"structure_string": "Li16 Fe4 Si8 O32\n1.0\n4.674771 -0.590069 6.100440\n2.483618 10.974491 0.248776\n-5.008988 -1.286127 6.063723\nLi Fe Si O\n16 4 8 32\ndirect\n0.272421 0.148267 0.254255 Li\n0.772423 0.148266 0.754255 Li\n0.522421 0.648264 0.004254 Li\n0.022422 0.648264 0.504254 Li\n0.477577 0.351734 0.995746 Li\n0.977578 0.351734 0.495746 Li\n0.727579 0.851736 0.745747 Li\n0.227578 0.851735 0.245747 Li\n0.072398 0.265581 0.113844 Li\n0.572397 0.265582 0.613844 Li\n0.322398 0.765582 0.863845 Li\n0.822399 0.765582 0.363844 Li\n0.677603 0.234419 0.136157 Li\n0.177602 0.234420 0.636157 Li\n0.927602 0.734418 0.886156 Li\n0.427601 0.734418 0.386156 Li\n0.500022 0.999996 0.499987 Fe\n0.749990 0.500013 0.249999 Fe\n0.000008 0.000009 0.999993 Fe\n0.249988 0.499978 0.749998 Fe\n0.335882 0.412043 0.390144 Si\n0.835882 0.412043 0.890143 Si\n0.585878 0.912046 0.140144 Si\n0.085879 0.912046 0.640144 Si\n0.414118 0.087957 0.859858 Si\n0.914118 0.087957 0.359857 Si\n0.664121 0.587955 0.609857 Si\n0.164120 0.587954 0.109857 Si\n0.376351 0.352154 0.552741 O\n0.876355 0.352151 0.052738 O\n0.626361 0.852144 0.302737 O\n0.126359 0.852147 0.802740 O\n0.373641 0.147851 0.697269 O\n0.873645 0.147848 0.197267 O\n0.623642 0.647853 0.447258 O\n0.123644 0.647851 0.947255 O\n0.200045 0.335360 0.292114 O\n0.700045 0.335360 0.792112 O\n0.450046 0.835355 0.042117 O\n0.950049 0.835357 0.542115 O\n0.549957 0.164637 0.957889 O\n0.049956 0.164637 0.457887 O\n0.799952 0.664648 0.707884 O\n0.299949 0.664647 0.207885 O\n0.226700 0.089916 0.006622 O\n0.726706 0.089917 0.506624 O\n0.476702 0.589913 0.756620 O\n0.976706 0.589915 0.256623 O\n0.523296 0.410083 0.243378 O\n0.023301 0.410084 0.743380 O\n0.773296 0.910087 0.993379 O\n0.273292 0.910084 0.493377 O\n0.481473 0.050968 0.288457 O\n0.981474 0.050967 0.788461 O\n0.731469 0.550973 0.038471 O\n0.231470 0.550973 0.538472 O\n0.268525 0.449034 0.961532 O\n0.768526 0.449034 0.461535 O\n0.518531 0.949025 0.711538 O\n0.018530 0.949026 0.211535 O\n",
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"elements": [
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"formula_full": "Li16 Fe4 Si8 O32",
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{
"id": "mp-772588",
"created_at": "2022-09-04T14:42:21.708176Z",
"structure_string": "Li4 V10 B6 O26\n1.0\n3.234448 0.000000 0.000000\n0.000000 9.616649 0.000000\n0.000000 4.286188 14.501170\nLi V B O\n4 10 6 26\ndirect\n0.750000 0.727026 0.760446 Li\n0.250000 0.616541 0.945911 Li\n0.750000 0.383459 0.054089 Li\n0.250000 0.272974 0.239554 Li\n0.750000 0.858656 0.003162 V\n0.750000 0.959279 0.365889 V\n0.250000 0.811045 0.203908 V\n0.250000 0.642082 0.435724 V\n0.250000 0.521823 0.687449 V\n0.750000 0.478177 0.312551 V\n0.750000 0.357918 0.564276 V\n0.750000 0.188955 0.796092 V\n0.250000 0.040721 0.634111 V\n0.250000 0.141344 0.996838 V\n0.250000 0.912595 0.818579 B\n0.750000 0.794258 0.573733 B\n0.250000 0.408262 0.883231 B\n0.750000 0.591738 0.116769 B\n0.250000 0.205742 0.426267 B\n0.750000 0.087405 0.181421 B\n0.250000 0.834109 0.910072 O\n0.750000 0.930601 0.586095 O\n0.250000 0.850861 0.747881 O\n0.750000 0.936638 0.212049 O\n0.250000 0.842378 0.344440 O\n0.750000 0.772901 0.486292 O\n0.750000 0.669855 0.649779 O\n0.250000 0.925396 0.064381 O\n0.250000 0.544468 0.822013 O\n0.250000 0.379710 0.977507 O\n0.750000 0.718241 0.144588 O\n0.250000 0.612173 0.294074 O\n0.250000 0.489236 0.565551 O\n0.750000 0.510764 0.434449 O\n0.750000 0.387827 0.705926 O\n0.250000 0.281759 0.855412 O\n0.750000 0.620290 0.022493 O\n0.750000 0.455532 0.177987 O\n0.750000 0.074604 0.935619 O\n0.250000 0.330145 0.350221 O\n0.250000 0.227099 0.513708 O\n0.750000 0.157622 0.655560 O\n0.250000 0.063362 0.787951 O\n0.750000 0.149139 0.252119 O\n0.250000 0.069399 0.413905 O\n0.750000 0.165891 0.089928 O\n",
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{
"id": "mp-1041775",
"created_at": "2022-09-04T14:42:21.499243Z",
"structure_string": "Y2 Mn6 F30\n1.0\n11.604689 0.000000 0.000000\n0.000000 6.084163 0.000000\n0.000000 2.314573 8.870674\nY Mn F\n2 6 30\ndirect\n0.750000 0.472815 0.744161 Y\n0.250000 0.527185 0.255839 Y\n0.500000 0.000000 0.500000 Mn\n0.498525 0.013709 0.165603 Mn\n0.501475 0.986291 0.834397 Mn\n0.000000 0.000000 0.500000 Mn\n0.001475 0.013709 0.165603 Mn\n0.998525 0.986291 0.834397 Mn\n0.750000 0.654056 0.525985 F\n0.750000 0.644333 0.229422 F\n0.750000 0.662490 0.897701 F\n0.250000 0.345944 0.474015 F\n0.250000 0.337510 0.102299 F\n0.250000 0.355667 0.770578 F\n0.416667 0.107036 0.646278 F\n0.411283 0.133278 0.322604 F\n0.415423 0.116299 0.976165 F\n0.583333 0.892964 0.353722 F\n0.584577 0.883701 0.023835 F\n0.588717 0.866722 0.677396 F\n0.087088 0.750785 0.533337 F\n0.100696 0.755698 0.211628 F\n0.083958 0.741044 0.878533 F\n0.912912 0.249215 0.466663 F\n0.916042 0.258956 0.121467 F\n0.899304 0.244302 0.788372 F\n0.587088 0.249215 0.466663 F\n0.583958 0.258956 0.121467 F\n0.600696 0.244302 0.788372 F\n0.412912 0.750785 0.533337 F\n0.399304 0.755698 0.211628 F\n0.416042 0.741044 0.878533 F\n0.083333 0.107036 0.646278 F\n0.088717 0.133278 0.322604 F\n0.084577 0.116299 0.976165 F\n0.916667 0.892964 0.353722 F\n0.915423 0.883701 0.023835 F\n0.911283 0.866722 0.677396 F\n",
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{
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"structure_string": "K4 Mn12 O24\n1.0\n2.901565 6.656614 0.000000\n-2.901565 6.656614 0.000000\n0.000000 0.617900 15.842477\nK Mn O\n4 12 24\ndirect\n0.658493 0.321889 0.600576 K\n0.321889 0.658493 0.100576 K\n0.678111 0.341507 0.899424 K\n0.341507 0.678111 0.399424 K\n0.372345 0.127311 0.250281 Mn\n0.872689 0.627655 0.249719 Mn\n0.361910 0.112966 0.580811 Mn\n0.866972 0.619717 0.581392 Mn\n0.887034 0.638090 0.919189 Mn\n0.380283 0.133028 0.918608 Mn\n0.627655 0.872689 0.749719 Mn\n0.127311 0.372345 0.750281 Mn\n0.112966 0.361910 0.080811 Mn\n0.619717 0.866972 0.081392 Mn\n0.638090 0.887034 0.419189 Mn\n0.133028 0.380283 0.418608 Mn\n0.810522 0.560400 0.815886 O\n0.306494 0.061053 0.814747 O\n0.439600 0.189478 0.684114 O\n0.938947 0.693506 0.685253 O\n0.061053 0.306494 0.314747 O\n0.560400 0.810522 0.315886 O\n0.189478 0.439600 0.184114 O\n0.693506 0.938947 0.185253 O\n0.706192 0.964191 0.873029 O\n0.214796 0.458404 0.873662 O\n0.035809 0.293808 0.626971 O\n0.541596 0.785204 0.626338 O\n0.458404 0.214796 0.373662 O\n0.964191 0.706192 0.373029 O\n0.785204 0.541596 0.126338 O\n0.293808 0.035809 0.126971 O\n0.554266 0.799792 0.971699 O\n0.046425 0.305699 0.970480 O\n0.200208 0.445734 0.528301 O\n0.694301 0.953575 0.529520 O\n0.305699 0.046425 0.470480 O\n0.799792 0.554266 0.471699 O\n0.953575 0.694301 0.029520 O\n0.445734 0.200208 0.028301 O\n",
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"formula_full": "K4 Mn12 O24",
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{
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"created_at": "2022-09-04T14:42:21.651360Z",
"structure_string": "Sr2 Mg12 Cr2\n1.0\n5.203081 0.000000 0.000000\n0.000000 6.682449 0.000000\n0.000000 0.000000 11.633869\nSr Mg Cr\n2 12 2\ndirect\n0.000000 0.500000 0.329062 Sr\n0.000000 0.000000 0.829062 Sr\n0.000000 0.261544 0.081671 Mg\n0.000000 0.738456 0.081671 Mg\n0.000000 0.000000 0.337925 Mg\n0.500000 0.765476 0.425155 Mg\n0.500000 0.234524 0.425155 Mg\n0.500000 0.000000 0.166928 Mg\n0.000000 0.761544 0.581671 Mg\n0.000000 0.238456 0.581671 Mg\n0.000000 0.500000 0.837925 Mg\n0.500000 0.265476 0.925155 Mg\n0.500000 0.734524 0.925155 Mg\n0.500000 0.500000 0.666928 Mg\n0.500000 0.500000 0.152433 Cr\n0.500000 0.000000 0.652433 Cr\n",
"nsites": 16,
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"elements": [
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"formula_full": "Sr2 Mg12 Cr2",
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{
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],
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{
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"structure_string": "Mg1 H12 S2 O12\n1.0\n7.634952 0.000000 0.000000\n-1.113862 7.692583 0.000000\n-1.219451 -1.677847 7.531258\nMg H S O\n1 12 2 12\ndirect\n0.000000 0.000000 0.000000 Mg\n0.483017 0.934408 0.739539 H\n0.516983 0.065592 0.260461 H\n0.708234 0.287128 0.843641 H\n0.291766 0.712872 0.156359 H\n0.850284 0.931062 0.475394 H\n0.149716 0.068938 0.524606 H\n0.821038 0.356640 0.716008 H\n0.178962 0.643360 0.283992 H\n0.546173 0.914227 0.560549 H\n0.453827 0.085773 0.439451 H\n0.842671 0.871982 0.540462 H\n0.157329 0.128018 0.459538 H\n0.480712 0.541399 0.627249 S\n0.519288 0.458601 0.372751 S\n0.891643 0.130615 0.194882 O\n0.108357 0.869385 0.805118 O\n0.259440 0.976131 0.085912 O\n0.740560 0.023869 0.914088 O\n0.730315 0.113372 0.084608 O\n0.269685 0.886628 0.915392 O\n0.766562 0.396852 0.817578 O\n0.233438 0.603148 0.182422 O\n0.294418 0.464085 0.640943 O\n0.705582 0.535915 0.359057 O\n0.437762 0.896942 0.611647 O\n0.562238 0.103058 0.388353 O\n",
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{
"id": "mp-540111",
"created_at": "2022-09-04T14:42:21.886742Z",
"structure_string": "Fe4 P4 O16\n1.0\n5.247970 0.000000 0.000000\n0.000000 7.296576 0.000000\n0.000000 0.000000 10.497038\nFe P O\n4 4 16\ndirect\n0.690200 0.787613 0.151169 Fe\n0.190200 0.287613 0.348831 Fe\n0.309800 0.287613 0.848831 Fe\n0.809800 0.787613 0.651169 Fe\n0.811393 0.038359 0.903513 P\n0.311393 0.538359 0.596487 P\n0.188607 0.538359 0.096487 P\n0.688607 0.038359 0.403513 P\n0.850607 0.206349 0.364881 O\n0.403762 0.088336 0.387990 O\n0.596238 0.588336 0.612010 O\n0.903762 0.588336 0.112010 O\n0.250712 0.370313 0.180967 O\n0.243702 0.488905 0.956215 O\n0.096238 0.088336 0.887990 O\n0.750712 0.870313 0.319033 O\n0.749288 0.870313 0.819033 O\n0.649393 0.206349 0.864881 O\n0.249288 0.370313 0.680967 O\n0.756298 0.988905 0.043785 O\n0.149393 0.706349 0.635119 O\n0.350607 0.706349 0.135119 O\n0.743702 0.988905 0.543785 O\n0.256298 0.488905 0.456215 O\n",
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"density": 2.4921852757770773,
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"volume": 401.9548039507619,
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"formula_full": "Fe4 P4 O16",
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},
{
"id": "mp-1190931",
"created_at": "2022-09-04T14:42:22.262522Z",
"structure_string": "Na2 Fe2 Mo4 O16\n1.0\n0.000220 -5.393481 -0.000271\n-5.010679 2.696945 0.018612\n-0.047801 -0.000707 -14.002243\nNa Fe Mo O\n2 2 4 16\ndirect\n0.926926 0.999939 0.249986 Na\n0.072980 0.000079 0.750019 Na\n0.000029 0.999927 0.999861 Fe\n0.000070 0.000021 0.500144 Fe\n0.707360 0.348221 0.617783 Mo\n0.359274 0.651902 0.882239 Mo\n0.292711 0.651885 0.382378 Mo\n0.640724 0.347983 0.117595 Mo\n0.589214 0.800504 0.461349 O\n0.788660 0.199415 0.038618 O\n0.411016 0.199670 0.538740 O\n0.211416 0.800412 0.961287 O\n0.059921 0.305921 0.415455 O\n0.753838 0.693943 0.084526 O\n0.940237 0.694236 0.584779 O\n0.246160 0.305906 0.915249 O\n0.102115 0.845757 0.384716 O\n0.256217 0.154102 0.115301 O\n0.897904 0.154298 0.615504 O\n0.743778 0.845858 0.884483 O\n0.427978 0.666736 0.267664 O\n0.761182 0.333166 0.232292 O\n0.571737 0.333324 0.732419 O\n0.238553 0.666796 0.767614 O\n",
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"formula_full": "Na2 Fe2 Mo4 O16",
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]
}