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{
"id": "mp-757266",
"created_at": "2022-09-04T14:47:23.327640Z",
"structure_string": "Ba4 Ti28 O56\n1.0\n7.387666 0.000000 0.000000\n0.296852 7.384424 0.000000\n3.459480 3.326036 20.035858\nBa Ti O\n4 28 56\ndirect\n0.863556 0.863864 0.636152 Ba\n0.596122 0.596565 0.902668 Ba\n0.136444 0.136136 0.363848 Ba\n0.403878 0.403435 0.097332 Ba\n0.014104 0.704488 0.976929 Ti\n0.634973 0.963545 0.048962 Ti\n0.082701 0.742217 0.236135 Ti\n0.937051 0.612278 0.378661 Ti\n0.365027 0.036455 0.951038 Ti\n0.224946 0.894065 0.092574 Ti\n0.698054 0.006780 0.308962 Ti\n0.858497 0.151505 0.167582 Ti\n0.985896 0.295512 0.023071 Ti\n0.717904 0.417877 0.261600 Ti\n0.863922 0.566635 0.119265 Ti\n0.584823 0.279452 0.405333 Ti\n0.486786 0.829679 0.193667 Ti\n0.348597 0.672397 0.335334 Ti\n0.798786 0.455682 0.521242 Ti\n0.651403 0.327603 0.664666 Ti\n0.415177 0.720548 0.594667 Ti\n0.282096 0.582123 0.738400 Ti\n0.570369 0.867137 0.453013 Ti\n0.301946 0.993220 0.691038 Ti\n0.141503 0.848495 0.832418 Ti\n0.429631 0.132863 0.546987 Ti\n0.201214 0.544318 0.478758 Ti\n0.775054 0.105935 0.907426 Ti\n0.062949 0.387722 0.621339 Ti\n0.917299 0.257783 0.763865 Ti\n0.513214 0.170321 0.806333 Ti\n0.136078 0.433365 0.880735 Ti\n0.670639 0.751547 0.119186 O\n0.817484 0.893461 0.975416 O\n0.065774 0.723457 0.066262 O\n0.914988 0.585311 0.208860 O\n0.656677 0.987305 0.218628 O\n0.793582 0.130240 0.078028 O\n0.934226 0.276543 0.933738 O\n0.290377 0.690978 0.164596 O\n0.433628 0.829364 0.021402 O\n0.899580 0.821996 0.309548 O\n0.182516 0.106539 0.024584 O\n0.038932 0.956704 0.166364 O\n0.751813 0.671022 0.452822 O\n0.684432 0.374351 0.170907 O\n0.822062 0.517477 0.027997 O\n0.599356 0.910674 0.543578 O\n0.747848 0.054522 0.399014 O\n0.177938 0.482523 0.972003 O\n0.884551 0.195758 0.257953 O\n0.031687 0.341248 0.113628 O\n0.534078 0.614198 0.261448 O\n0.996026 0.593066 0.550137 O\n0.140020 0.741110 0.405696 O\n0.566372 0.170636 0.978598 O\n0.424996 0.025980 0.120058 O\n0.281623 0.877792 0.264503 O\n0.629072 0.299504 0.495300 O\n0.779891 0.439499 0.350955 O\n0.505010 0.845349 0.363910 O\n0.370928 0.700496 0.504700 O\n0.718377 0.122208 0.735497 O\n0.575004 0.974020 0.879942 O\n0.144887 0.544393 0.309100 O\n0.859980 0.258890 0.594304 O\n0.003974 0.406934 0.449863 O\n0.614919 0.536416 0.594887 O\n0.968313 0.658752 0.886372 O\n0.400644 0.089326 0.456422 O\n0.115449 0.804242 0.742047 O\n0.537567 0.230475 0.315716 O\n0.252152 0.945478 0.600986 O\n0.315568 0.625649 0.829093 O\n0.462433 0.769525 0.684284 O\n0.100420 0.178004 0.690452 O\n0.248187 0.328978 0.547178 O\n0.385081 0.463584 0.405113 O\n0.961068 0.043296 0.833636 O\n0.709623 0.309022 0.835404 O\n0.855113 0.455607 0.690900 O\n0.494990 0.154651 0.636090 O\n0.343323 0.012695 0.781372 O\n0.206418 0.869760 0.921972 O\n0.085012 0.414689 0.791140 O\n0.220109 0.560501 0.649045 O\n0.465922 0.385802 0.738552 O\n0.329361 0.248453 0.880814 O\n",
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"formula_full": "Ba4 Ti28 O56",
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"spacegroup": 2
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{
"id": "mp-1192199",
"created_at": "2022-09-04T14:47:23.184457Z",
"structure_string": "Tb6 Ga2 Co2 S14\n1.0\n4.794575 -8.304447 0.000000\n4.794575 8.304447 0.000000\n0.000000 0.000000 6.122502\nTb Ga Co S\n6 2 2 14\ndirect\n0.153722 0.373185 0.820818 Tb\n0.219462 0.846278 0.820818 Tb\n0.626815 0.780538 0.820818 Tb\n0.846278 0.626815 0.320818 Tb\n0.780538 0.153722 0.320818 Tb\n0.373185 0.219462 0.320818 Tb\n0.666667 0.333333 0.893562 Ga\n0.333333 0.666667 0.393562 Ga\n0.000000 0.000000 0.492998 Co\n0.000000 0.000000 0.992998 Co\n0.871435 0.094668 0.735553 S\n0.223234 0.128565 0.735553 S\n0.905332 0.776766 0.735553 S\n0.128565 0.905332 0.235553 S\n0.776766 0.871435 0.235553 S\n0.094668 0.223234 0.235553 S\n0.432351 0.518579 0.550228 S\n0.086228 0.567649 0.550228 S\n0.481421 0.913772 0.550228 S\n0.567649 0.481421 0.050228 S\n0.913772 0.432351 0.050228 S\n0.518579 0.086228 0.050228 S\n0.666667 0.333333 0.526267 S\n0.333333 0.666667 0.026267 S\n",
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"formula_full": "Tb6 Ga2 Co2 S14",
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"updated_at": "2021-11-28T01:38:05.717000Z",
"spacegroup": 173
},
{
"id": "mp-759835",
"created_at": "2022-09-04T14:47:23.234921Z",
"structure_string": "Ce3 Mg3 Au3\n1.0\n3.842225 -6.654929 0.000000\n3.842225 6.654929 0.000000\n0.000000 0.000000 4.232959\nCe Mg Au\n3 3 3\ndirect\n0.000000 0.584093 0.000000 Ce\n0.415907 0.415907 0.000000 Ce\n0.584093 0.000000 0.000000 Ce\n0.000000 0.241797 0.500000 Mg\n0.241797 0.000000 0.500000 Mg\n0.758203 0.758203 0.500000 Mg\n0.333333 0.666667 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.666667 0.333333 0.500000 Au\n",
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"density": 8.316551558418748,
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"formula_full": "Ce3 Mg3 Au3",
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{
"id": "mp-774705",
"created_at": "2022-09-04T14:47:23.264684Z",
"structure_string": "Na8 Fe4 P4 C4 O28\n1.0\n-8.908442 5.252384 0.071694\n-0.072115 -5.243143 6.545078\n-0.021477 5.265635 6.561952\nNa Fe P C O\n8 4 4 4 28\ndirect\n0.918712 0.722135 0.539597 Na\n0.910117 0.183440 0.076124 Na\n0.743031 0.494160 0.006721 Na\n0.742647 0.243000 0.754278 Na\n0.262891 0.751357 0.238604 Na\n0.263234 0.252774 0.738219 Na\n0.080109 0.279633 0.437701 Na\n0.082827 0.795265 0.949145 Na\n0.654208 0.310068 0.438791 Fe\n0.654099 0.811236 0.939018 Fe\n0.342340 0.195571 0.069115 Fe\n0.348376 0.696850 0.565420 Fe\n0.574740 0.554248 0.695033 P\n0.576232 0.060876 0.188351 P\n0.424165 0.445799 0.310319 P\n0.423856 0.943644 0.808311 P\n0.936501 0.481070 0.275366 C\n0.936350 0.977525 0.772581 C\n0.064664 0.019424 0.223092 C\n0.063510 0.518559 0.724377 C\n0.924331 0.939831 0.305897 O\n0.920887 0.433147 0.812161 O\n0.872458 0.339826 0.423511 O\n0.872867 0.822424 0.904839 O\n0.843160 0.520007 0.215937 O\n0.842516 0.028939 0.724325 O\n0.680143 0.994828 0.065668 O\n0.670900 0.662497 0.775589 O\n0.677816 0.478852 0.583346 O\n0.672766 0.180298 0.259940 O\n0.568355 0.593479 0.152721 O\n0.568391 0.097001 0.656445 O\n0.533876 0.185073 0.064101 O\n0.526537 0.671395 0.577488 O\n0.469429 0.828264 0.934344 O\n0.469441 0.330375 0.436333 O\n0.433285 0.905363 0.337617 O\n0.430489 0.397812 0.844797 O\n0.327001 0.827736 0.735113 O\n0.323697 0.523569 0.420264 O\n0.324926 0.325883 0.241680 O\n0.320904 0.016572 0.922409 O\n0.158177 0.969315 0.274824 O\n0.156309 0.469240 0.774557 O\n0.131599 0.165825 0.077976 O\n0.124643 0.662740 0.581564 O\n0.076448 0.571067 0.196089 O\n0.076041 0.069543 0.697841 O\n",
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"formula_full": "Na8 Fe4 P4 C4 O28",
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{
"id": "mp-1198989",
"created_at": "2022-09-04T14:47:23.273331Z",
"structure_string": "Mn10 Si4 O20\n1.0\n4.874397 0.000000 0.000000\n0.000000 8.028233 0.000000\n0.000000 3.191611 10.202384\nMn Si O\n10 4 20\ndirect\n0.025913 0.713843 0.164284 Mn\n0.525913 0.286157 0.335716 Mn\n0.974087 0.286157 0.835716 Mn\n0.474087 0.713843 0.664284 Mn\n0.011795 0.922442 0.394860 Mn\n0.511795 0.077558 0.105140 Mn\n0.988205 0.077558 0.605140 Mn\n0.488205 0.922442 0.894860 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.576885 0.707281 0.356561 Si\n0.076885 0.292719 0.143439 Si\n0.423115 0.292719 0.643439 Si\n0.923115 0.707281 0.856561 Si\n0.706702 0.698758 0.501298 O\n0.206702 0.301242 0.998702 O\n0.293298 0.301242 0.498702 O\n0.793298 0.698758 0.001298 O\n0.736827 0.879586 0.255570 O\n0.236827 0.120414 0.244430 O\n0.263173 0.120414 0.744430 O\n0.763173 0.879586 0.755570 O\n0.710734 0.536680 0.324265 O\n0.210734 0.463320 0.175735 O\n0.289266 0.463320 0.675735 O\n0.789266 0.536680 0.824265 O\n0.238124 0.721530 0.354590 O\n0.738124 0.278470 0.145410 O\n0.761876 0.278470 0.645410 O\n0.261876 0.721530 0.854590 O\n0.297781 0.903822 0.056170 O\n0.797781 0.096178 0.443830 O\n0.702219 0.096178 0.943830 O\n0.202219 0.903822 0.556170 O\n",
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"formula_full": "Mn10 Si4 O20",
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{
"id": "mp-554140",
"created_at": "2022-09-04T14:47:23.388688Z",
"structure_string": "Tl1 V3 Cr2 S8\n1.0\n1.676825 8.656588 0.000000\n-1.676825 8.656588 0.000000\n0.000000 1.965523 8.561563\nTl V Cr S\n1 3 2 8\ndirect\n0.000000 0.000000 0.000000 Tl\n0.853699 0.853699 0.486831 V\n0.146301 0.146301 0.513169 V\n0.500000 0.500000 0.500000 V\n0.795470 0.795470 0.830978 Cr\n0.204530 0.204530 0.169022 Cr\n0.928450 0.928450 0.670477 S\n0.669910 0.669910 0.008329 S\n0.737991 0.737991 0.351423 S\n0.585856 0.585856 0.681570 S\n0.414144 0.414144 0.318430 S\n0.071550 0.071550 0.329523 S\n0.262009 0.262009 0.648577 S\n0.330090 0.330090 0.991671 S\n",
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"formula_full": "Tl1 V3 Cr2 S8",
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{
"id": "mp-1212707",
"created_at": "2022-09-04T14:47:23.193110Z",
"structure_string": "Ho6 Co30 Si18\n1.0\n0.000000 0.000000 -3.664503\n-7.338787 -12.711153 0.000000\n-7.338787 12.711153 0.000000\nHo Co Si\n6 30 18\ndirect\n0.750000 0.705948 0.099786 Ho\n0.250000 0.294052 0.900214 Ho\n0.750000 0.393838 0.294052 Ho\n0.250000 0.606162 0.705948 Ho\n0.750000 0.900214 0.606162 Ho\n0.250000 0.099786 0.393838 Ho\n0.750000 0.901987 0.028728 Co\n0.250000 0.098013 0.971272 Co\n0.750000 0.126741 0.098013 Co\n0.250000 0.873259 0.901987 Co\n0.750000 0.971272 0.873259 Co\n0.250000 0.028728 0.126741 Co\n0.750000 0.586769 0.852000 Co\n0.250000 0.413231 0.148000 Co\n0.750000 0.265231 0.413231 Co\n0.250000 0.734769 0.586769 Co\n0.750000 0.148000 0.734769 Co\n0.250000 0.852000 0.265231 Co\n0.750000 0.952101 0.218272 Co\n0.250000 0.047899 0.781728 Co\n0.750000 0.266170 0.047899 Co\n0.250000 0.733830 0.952101 Co\n0.750000 0.781728 0.733830 Co\n0.250000 0.218272 0.266170 Co\n0.750000 0.774399 0.347022 Co\n0.250000 0.225601 0.652978 Co\n0.750000 0.572622 0.225601 Co\n0.250000 0.427378 0.774399 Co\n0.750000 0.652978 0.427378 Co\n0.250000 0.347022 0.572622 Co\n0.750000 0.459567 0.534056 Co\n0.250000 0.540433 0.465944 Co\n0.750000 0.074489 0.540433 Co\n0.250000 0.925511 0.459567 Co\n0.750000 0.465944 0.925511 Co\n0.250000 0.534056 0.074489 Co\n0.750000 0.937187 0.369000 Si\n0.250000 0.062813 0.631000 Si\n0.750000 0.431813 0.062813 Si\n0.250000 0.568187 0.937187 Si\n0.750000 0.631000 0.568187 Si\n0.250000 0.369000 0.431813 Si\n0.750000 0.443134 0.681185 Si\n0.250000 0.556866 0.318815 Si\n0.750000 0.238051 0.556866 Si\n0.250000 0.761949 0.443134 Si\n0.750000 0.318815 0.761949 Si\n0.250000 0.681185 0.238051 Si\n0.750000 0.752987 0.870652 Si\n0.250000 0.247013 0.129348 Si\n0.750000 0.117666 0.247013 Si\n0.250000 0.882334 0.752987 Si\n0.750000 0.129348 0.882334 Si\n0.250000 0.870652 0.117666 Si\n",
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{
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{
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.116323 0.000000 0.000000\n-1.747959 7.443660 0.000000\n-1.590594 -1.487813 7.512341\nLi Mn Co O\n9 2 5 16\ndirect\n0.495764 0.121092 0.868289 Li\n0.496928 0.993222 0.507658 Li\n0.500407 0.377088 0.626871 Li\n0.502152 0.254050 0.250116 Li\n0.508147 0.627633 0.381781 Li\n0.502396 0.505381 0.002460 Li\n0.497915 0.873293 0.124509 Li\n0.497617 0.748483 0.741015 Li\n0.003019 0.871967 0.623273 Li\n0.996585 0.997490 0.995502 Mn\n0.008877 0.248991 0.749306 Mn\n0.997777 0.749231 0.257266 Co\n0.998501 0.627647 0.867344 Co\n0.001372 0.503641 0.503699 Co\n0.995474 0.380910 0.126614 Co\n0.002278 0.120892 0.381429 Co\n0.779749 0.130004 0.119610 O\n0.777348 0.012517 0.764963 O\n0.782899 0.377392 0.872611 O\n0.781245 0.256266 0.521237 O\n0.777613 0.613000 0.622404 O\n0.752034 0.500830 0.244626 O\n0.767982 0.885311 0.366831 O\n0.764462 0.763371 0.997394 O\n0.231554 0.134187 0.626623 O\n0.225389 0.002166 0.233432 O\n0.211171 0.372551 0.376606 O\n0.224800 0.237403 0.985044 O\n0.223126 0.617155 0.126208 O\n0.242261 0.489219 0.758397 O\n0.223376 0.870716 0.886497 O\n0.229783 0.736900 0.490383 O\n",
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"elements": [
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],
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"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
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{
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.766415 0.000000 0.000000\n2.872849 5.094929 0.000000\n2.865548 1.489407 9.589465\nLi Mn Co O\n9 2 5 16\ndirect\n0.743725 0.255959 0.754805 Li\n0.751503 0.753183 0.244044 Li\n0.255952 0.745511 0.751984 Li\n0.254578 0.252378 0.244395 Li\n0.745422 0.747622 0.755605 Li\n0.744048 0.254489 0.248016 Li\n0.248497 0.246817 0.755956 Li\n0.256275 0.744041 0.245195 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.857063 0.903725 0.883374 O\n0.882350 0.351573 0.382886 O\n0.361095 0.348419 0.896380 O\n0.357660 0.873697 0.384555 O\n0.890865 0.357575 0.892762 O\n0.883682 0.873619 0.384300 O\n0.363862 0.889519 0.888440 O\n0.367065 0.387758 0.379564 O\n0.632935 0.612242 0.620436 O\n0.636138 0.110481 0.111560 O\n0.116318 0.126381 0.615700 O\n0.109135 0.642425 0.107238 O\n0.642340 0.126303 0.615445 O\n0.638905 0.651581 0.103620 O\n0.117650 0.648427 0.617114 O\n0.142937 0.096275 0.116626 O\n",
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"density": 4.261376095923911,
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"formula_full": "Li9 Mn2 Co5 O16",
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{
"id": "mp-1224089",
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"structure_string": "Ho1 Cr2 Fe10\n1.0\n0.000000 0.000000 4.674713\n-4.215363 4.182776 2.337356\n-4.215363 -4.182776 -2.337356\nHo Cr Fe\n1 2 10\ndirect\n0.000000 0.000000 0.000000 Ho\n0.000000 0.367709 0.367709 Cr\n0.000000 0.632291 0.632291 Cr\n0.725186 0.774814 0.225186 Fe\n0.274814 0.225186 0.774814 Fe\n0.500000 0.772137 0.772137 Fe\n0.500000 0.227863 0.227863 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.640965 0.359035 0.640965 Fe\n0.359035 0.640965 0.359035 Fe\n",
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"formula_full": "Ho1 Cr2 Fe10",
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{
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"structure_string": "Gd2 Ga12\n1.0\n6.022490 0.000000 0.000000\n0.000000 6.022490 0.000000\n0.000000 0.000000 7.631836\nGd Ga\n2 12\ndirect\n0.000000 0.500000 0.000000 Gd\n0.500000 0.000000 0.000000 Gd\n0.500000 0.500000 0.162331 Ga\n0.000000 0.000000 0.837669 Ga\n0.500000 0.500000 0.837669 Ga\n0.000000 0.000000 0.162331 Ga\n0.186296 0.686296 0.350825 Ga\n0.813704 0.313704 0.350825 Ga\n0.686296 0.186296 0.649175 Ga\n0.313704 0.813704 0.649175 Ga\n0.186296 0.313704 0.649175 Ga\n0.813704 0.686296 0.649175 Ga\n0.686296 0.813704 0.350825 Ga\n0.313704 0.186296 0.350825 Ga\n",
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]
}