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{
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"results": [
{
"id": "mp-1175612",
"created_at": "2022-09-04T14:41:51.824479Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.942927 0.000000 0.000000\n0.264118 9.773299 0.000000\n0.096964 2.095879 9.914225\nLi Mn Co O\n9 2 5 16\ndirect\n0.994113 0.493165 0.759626 Li\n0.497343 0.249679 0.375770 Li\n0.000000 0.000000 0.000000 Li\n0.502657 0.750321 0.624230 Li\n0.504683 0.258829 0.875145 Li\n0.000000 0.000000 0.500000 Li\n0.495317 0.741171 0.124855 Li\n0.005887 0.506835 0.240374 Li\n0.500000 0.500000 0.000000 Li\n0.995103 0.743736 0.879829 Mn\n0.004897 0.256264 0.120171 Mn\n0.500000 0.500000 0.500000 Co\n0.494063 0.998638 0.747629 Co\n0.998615 0.750852 0.374418 Co\n0.001385 0.249148 0.625582 Co\n0.505937 0.001362 0.252371 Co\n0.506122 0.642275 0.819993 O\n0.001360 0.374260 0.445940 O\n0.517934 0.131865 0.077807 O\n0.960089 0.877754 0.698893 O\n0.995915 0.361414 0.949563 O\n0.506211 0.124603 0.574213 O\n0.958544 0.880516 0.197018 O\n0.499651 0.623380 0.321104 O\n0.500349 0.376620 0.678896 O\n0.039911 0.122246 0.301107 O\n0.482066 0.868135 0.922193 O\n0.998640 0.625740 0.554060 O\n0.041456 0.119484 0.802982 O\n0.493789 0.875397 0.425787 O\n0.004085 0.638586 0.050437 O\n0.493878 0.357725 0.180007 O\n",
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"Mn",
"Co",
"O"
],
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"volume": 285.153985461938,
"volume_molar": 5.366366996021202,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
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"updated_at": "2021-11-28T01:35:29.332000Z",
"spacegroup": 2
},
{
"id": "mp-1222594",
"created_at": "2022-09-04T14:42:45.422956Z",
"structure_string": "Na7 V1 W6 O38\n1.0\n-7.999267 0.000000 0.000000\n-0.415330 -10.828626 0.000000\n2.660936 4.891049 9.447448\nNa V W O\n7 1 6 38\ndirect\n0.425819 0.803842 0.183021 Na\n0.441082 0.928247 0.969447 Na\n0.027377 0.307499 0.314194 Na\n0.585578 0.381345 0.054688 Na\n0.988057 0.940508 0.292460 Na\n0.221122 0.603988 0.637711 Na\n0.078609 0.173098 0.821912 Na\n0.733406 0.515932 0.558533 V\n0.670122 0.592818 0.879448 W\n0.958435 0.781599 0.854242 W\n0.609044 0.842109 0.660349 W\n0.441638 0.329608 0.594007 W\n0.368298 0.584543 0.377504 W\n0.491219 0.267244 0.287159 W\n0.642807 0.642014 0.488093 O\n0.857191 0.097932 0.223468 O\n0.939547 0.592979 0.646247 O\n0.386100 0.218113 0.842217 O\n0.927983 0.705051 0.282924 O\n0.261804 0.199317 0.206698 O\n0.766824 0.715558 0.285773 O\n0.818271 0.177260 0.896386 O\n0.207140 0.968585 0.187737 O\n0.155132 0.515703 0.350046 O\n0.534599 0.966849 0.808038 O\n0.140435 0.436432 0.974613 O\n0.681201 0.702756 0.756907 O\n0.518160 0.198275 0.424446 O\n0.183658 0.775694 0.857003 O\n0.264500 0.501724 0.976276 O\n0.021720 0.090850 0.568813 O\n0.375877 0.735244 0.566177 O\n0.459262 0.446722 0.476024 O\n0.592634 0.740026 0.010832 O\n0.252652 0.990297 0.502114 O\n0.478515 0.222799 0.684321 O\n0.168356 0.035732 0.596375 O\n0.611390 0.930212 0.558280 O\n0.456508 0.418099 0.233030 O\n0.435442 0.510204 0.756522 O\n0.966668 0.932708 0.024858 O\n0.916854 0.649805 0.921030 O\n0.700303 0.432464 0.669622 O\n0.221054 0.090976 0.980259 O\n0.213267 0.312691 0.521258 O\n0.712194 0.477683 0.956499 O\n0.748732 0.373328 0.401380 O\n0.343121 0.679476 0.278099 O\n0.589440 0.143073 0.153388 O\n0.832321 0.221457 0.024076 O\n0.865770 0.874053 0.740123 O\n0.716064 0.841082 0.336872 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Na",
"V",
"W",
"O"
],
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"density": 3.9017983666178617,
"density_atomic": 0.06354264465066224,
"volume": 818.3480603597769,
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"formula_full": "Na7 V1 W6 O38",
"formula_reduced": "Na7V(W3O19)2",
"formula_anonymous": "AB6C7D38",
"energy": -336.13351813,
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"updated_at": "2021-11-28T01:35:52.642000Z",
"spacegroup": 1
},
{
"id": "mp-1174849",
"created_at": "2022-09-04T14:41:59.112230Z",
"structure_string": "Li6 Mn3 Co1 O10\n1.0\n2.942268 0.000000 0.000000\n-0.078154 5.085111 0.000000\n-0.897778 -1.208518 12.007469\nLi Mn Co O\n6 3 1 10\ndirect\n0.898988 0.306691 0.798919 Li\n0.299459 0.094484 0.600546 Li\n0.694542 0.904554 0.393477 Li\n0.100163 0.699509 0.200275 Li\n0.506583 0.495524 0.006320 Li\n0.599839 0.200549 0.200796 Li\n0.011951 0.010930 0.007315 Mn\n0.190498 0.392403 0.394540 Mn\n0.407531 0.796262 0.798843 Mn\n0.785969 0.600898 0.598086 Co\n0.478757 0.124362 0.907981 O\n0.820509 0.931658 0.697758 O\n0.207732 0.724088 0.503268 O\n0.667105 0.532914 0.312936 O\n0.040237 0.328539 0.091497 O\n0.374592 0.461602 0.696144 O\n0.724164 0.281945 0.493170 O\n0.162307 0.072068 0.311305 O\n0.534812 0.869059 0.088330 O\n0.994264 0.671961 0.898492 O\n",
"nsites": 20,
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"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.9318732396480773,
"density_atomic": 0.11132580797749968,
"volume": 179.6528618417236,
"volume_molar": 5.409474109738462,
"formula_full": "Li6 Mn3 Co1 O10",
"formula_reduced": "Li6Mn3CoO10",
"formula_anonymous": "AB3C6D10",
"energy": -135.95507732,
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"updated_at": "2021-11-28T01:35:32.096000Z",
"spacegroup": 1
},
{
"id": "mp-720424",
"created_at": "2022-09-04T14:41:28.944986Z",
"structure_string": "K4 Fe2 P4 H6 O16 F4\n1.0\n7.246339 -0.086415 -0.048493\n-0.119204 7.236253 -0.178123\n0.410030 -0.174631 7.520949\nK Fe P H O F\n4 2 4 6 16 4\ndirect\n0.628448 0.758690 0.620033 K\n0.314638 0.317934 0.893991 K\n0.613488 0.558763 0.022397 K\n0.407299 0.082484 0.532109 K\n0.155873 0.751095 0.286971 Fe\n0.736033 0.014072 0.137293 Fe\n0.822078 0.446874 0.382299 P\n0.934439 0.014239 0.762322 P\n0.135386 0.195472 0.229531 P\n0.034219 0.615451 0.704664 P\n0.374346 0.811240 0.038799 H\n0.539306 0.435782 0.520289 H\n0.684378 0.875737 0.971372 H\n0.225646 0.589985 0.680093 H\n0.538552 0.272714 0.199601 H\n0.545705 0.974159 0.904599 H\n0.449252 0.890799 0.210813 O\n0.580808 0.386973 0.639610 O\n0.957616 0.035260 0.973101 O\n0.081241 0.850986 0.674726 O\n0.355714 0.788193 0.903780 O\n0.890607 0.646383 0.850494 O\n0.401571 0.782018 0.362756 O\n0.106680 0.008292 0.315961 O\n0.073488 0.189762 0.686127 O\n0.751563 0.308013 0.553209 O\n0.922527 0.280041 0.282419 O\n0.592332 0.216771 0.089315 O\n0.964719 0.582493 0.498752 O\n0.999392 0.371876 0.781070 O\n0.625208 0.497591 0.348538 O\n0.421401 0.968609 0.846107 O\n0.900024 0.593910 0.214719 F\n0.754360 0.945799 0.370239 F\n0.239201 0.325324 0.390508 F\n0.242458 0.564018 0.121398 F\n",
"nsites": 36,
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"elements": [
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"Fe",
"P",
"H",
"O",
"F"
],
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"density": 3.0749785999146857,
"density_atomic": 0.09132017828197672,
"volume": 394.2173644124947,
"volume_molar": 6.594534607022938,
"formula_full": "K4 Fe2 P4 H6 O16 F4",
"formula_reduced": "K2FeP2H3(O4F)2",
"formula_anonymous": "AB2C2D2E3F8",
"energy": -203.5719807,
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"updated_at": "2021-11-28T01:35:12.720000Z",
"spacegroup": 1
},
{
"id": "mp-768405",
"created_at": "2022-09-04T14:44:57.288256Z",
"structure_string": "Li24 Ti7 Cr5 O36\n1.0\n5.058130 0.000000 0.000000\n0.767815 9.781664 0.000000\n2.497053 1.959879 13.079856\nLi Ti Cr O\n24 7 5 36\ndirect\n0.666365 0.000384 0.166915 Li\n0.568968 0.000110 0.388721 Li\n0.251520 0.750071 0.748967 Li\n0.581445 0.749369 0.083949 Li\n0.066191 0.500280 0.887085 Li\n0.392987 0.500614 0.219065 Li\n0.170952 0.502009 0.666589 Li\n0.498674 0.498611 0.000514 Li\n0.268725 0.501173 0.446409 Li\n0.083661 0.249971 0.583019 Li\n0.003765 0.999004 0.498200 Li\n0.765618 0.999978 0.946634 Li\n0.097053 0.000300 0.278379 Li\n0.896137 0.000339 0.721058 Li\n0.233401 0.001206 0.054464 Li\n0.917442 0.750315 0.415774 Li\n0.729942 0.498735 0.554004 Li\n0.834181 0.498580 0.332548 Li\n0.598541 0.497938 0.779919 Li\n0.940647 0.499634 0.114079 Li\n0.415905 0.249983 0.916438 Li\n0.335015 0.001143 0.833121 Li\n0.752036 0.250079 0.251467 Li\n0.434077 0.999942 0.612243 Li\n0.864720 0.246518 0.027784 Ti\n0.464773 0.755862 0.306115 Ti\n0.967341 0.253512 0.805148 Ti\n0.194973 0.250624 0.360222 Ti\n0.698008 0.751681 0.860187 Ti\n0.807434 0.746878 0.638858 Ti\n0.142138 0.746248 0.973993 Ti\n0.367647 0.750045 0.526624 Cr\n0.308998 0.250347 0.140148 Cr\n0.021956 0.749588 0.194069 Cr\n0.521846 0.251153 0.692285 Cr\n0.643136 0.247740 0.474107 Cr\n0.926659 0.861530 0.075107 O\n0.722704 0.635539 0.215284 O\n0.425348 0.360536 0.574833 O\n0.502033 0.362408 0.358958 O\n0.610014 0.363907 0.119613 O\n0.259419 0.864239 0.403668 O\n0.222063 0.135238 0.713773 O\n0.337397 0.138603 0.477324 O\n0.550201 0.133877 0.047768 O\n0.999480 0.864104 0.856808 O\n0.123079 0.863936 0.616310 O\n0.329418 0.861830 0.189694 O\n0.405878 0.137873 0.259458 O\n0.832248 0.636370 0.977396 O\n0.051366 0.635623 0.546881 O\n0.164013 0.637495 0.309029 O\n0.905223 0.636068 0.762294 O\n0.243463 0.637013 0.095232 O\n0.762540 0.364235 0.904375 O\n0.092190 0.363434 0.238998 O\n0.830388 0.361788 0.688261 O\n0.944251 0.365208 0.452352 O\n0.169240 0.361826 0.024872 O\n0.596403 0.863537 0.736407 O\n0.664386 0.138426 0.807363 O\n0.884776 0.133187 0.381350 O\n0.003508 0.138471 0.144498 O\n0.452730 0.866100 0.951490 O\n0.661187 0.862378 0.521986 O\n0.782384 0.866089 0.286041 O\n0.741803 0.138815 0.591445 O\n0.379282 0.634272 0.882230 O\n0.500411 0.636594 0.643641 O\n0.566758 0.637658 0.431807 O\n0.282367 0.366114 0.785297 O\n0.069171 0.135712 0.929055 O\n",
"nsites": 72,
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"Cr",
"O"
],
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"density_atomic": 0.11125686185111396,
"volume": 647.151095240775,
"volume_molar": 5.4128263729557125,
"formula_full": "Li24 Ti7 Cr5 O36",
"formula_reduced": "Li24Ti7Cr5O36",
"formula_anonymous": "A5B7C24D36",
"energy": -519.46370433,
"energy_per_atom": -7.214773671250001,
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"updated_at": "2021-11-28T01:36:46.695000Z",
"spacegroup": 1
},
{
"id": "mp-1176188",
"created_at": "2022-09-04T14:44:07.467534Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.062431 0.000000 0.000000\n0.873681 5.048648 0.000000\n1.098816 1.815118 11.277051\nLi Mn Co O\n9 2 5 16\ndirect\n0.751863 0.564108 0.936973 Li\n0.744553 0.807788 0.675317 Li\n0.247429 0.691373 0.807685 Li\n0.245346 0.939744 0.556957 Li\n0.761263 0.063222 0.438315 Li\n0.743243 0.313239 0.196138 Li\n0.249030 0.437649 0.065364 Li\n0.258044 0.190163 0.323716 Li\n0.000749 0.499260 0.499176 Li\n0.999575 0.998057 0.999308 Mn\n0.500798 0.370454 0.621570 Mn\n0.999640 0.256896 0.741709 Co\n0.998779 0.742947 0.259308 Co\n0.496388 0.632326 0.380269 Co\n0.505868 0.878566 0.127135 Co\n0.496377 0.122093 0.872602 Co\n0.867397 0.686422 0.091216 O\n0.878548 0.925879 0.853217 O\n0.356058 0.806373 0.962312 O\n0.374912 0.051057 0.718329 O\n0.852760 0.162820 0.603429 O\n0.869172 0.434698 0.338229 O\n0.380878 0.566117 0.214477 O\n0.394148 0.290984 0.479706 O\n0.611672 0.442948 0.776687 O\n0.610415 0.688140 0.536678 O\n0.136538 0.563093 0.662676 O\n0.145001 0.839383 0.398836 O\n0.634480 0.963612 0.280742 O\n0.637613 0.189194 0.030074 O\n0.116544 0.315456 0.908685 O\n0.134922 0.065941 0.143160 O\n",
"nsites": 32,
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"O"
],
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"density": 4.1654173467647215,
"density_atomic": 0.11102485761090569,
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"volume_molar": 5.424137341481679,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.59154021,
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"spacegroup": 1
},
{
"id": "mp-754104",
"created_at": "2022-09-04T14:42:42.187160Z",
"structure_string": "Li4 Mn2 Si6 O16\n1.0\n8.623566 0.000000 0.000000\n0.000000 6.361998 0.000000\n0.000000 1.771458 6.473940\nLi Mn Si O\n4 2 6 16\ndirect\n0.678713 0.846278 0.778446 Li\n0.164073 0.580778 0.504961 Li\n0.664073 0.419222 0.495039 Li\n0.178713 0.153722 0.221554 Li\n0.002264 0.045624 0.598618 Mn\n0.502264 0.954376 0.401382 Mn\n0.492860 0.419129 0.989501 Si\n0.807041 0.247960 0.896567 Si\n0.336723 0.159135 0.732740 Si\n0.836723 0.840865 0.267260 Si\n0.307041 0.752040 0.103433 Si\n0.992860 0.580871 0.010499 Si\n0.259475 0.989517 0.946563 O\n0.965868 0.328976 0.992989 O\n0.670937 0.432117 0.894837 O\n0.968743 0.748406 0.792037 O\n0.375901 0.384500 0.805729 O\n0.823247 0.231541 0.662391 O\n0.496022 0.060012 0.667175 O\n0.202984 0.229165 0.555660 O\n0.702984 0.770835 0.444340 O\n0.996022 0.939988 0.332825 O\n0.323247 0.768459 0.337609 O\n0.875901 0.615500 0.194271 O\n0.468743 0.251594 0.207963 O\n0.170937 0.567883 0.105163 O\n0.465868 0.671024 0.007011 O\n0.759475 0.010483 0.053437 O\n",
"nsites": 28,
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"elements": [
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"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 2.6281321147974337,
"density_atomic": 0.07883316108959484,
"volume": 355.1804800542967,
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"formula_full": "Li4 Mn2 Si6 O16",
"formula_reduced": "Li2MnSi3O8",
"formula_anonymous": "AB2C3D8",
"energy": -217.54861328,
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"spacegroup": 4
},
{
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{
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"structure_string": "Li8 Fe2 Te2 W4 O24\n1.0\n-0.002839 2.946884 -4.270637\n1.220442 12.501039 8.580574\n5.505728 -0.003487 0.001139\nLi Fe Te W O\n8 2 2 4 24\ndirect\n0.003809 0.634080 0.585666 Li\n0.010130 0.135416 0.598933 Li\n0.495645 0.904512 0.067923 Li\n0.495047 0.399753 0.039965 Li\n0.992725 0.402772 0.601055 Li\n0.997685 0.903601 0.591963 Li\n0.500404 0.112516 0.981437 Li\n0.507021 0.600693 0.932623 Li\n0.005602 0.498542 0.016458 Fe\n0.997235 0.004273 0.013425 Fe\n0.495104 0.751679 0.502804 Te\n0.503356 0.254514 0.517715 Te\n0.991104 0.251420 0.014902 W\n0.993313 0.749806 0.009497 W\n0.512832 0.002555 0.501268 W\n0.497602 0.501120 0.497781 W\n0.296423 0.712198 0.795560 O\n0.309085 0.212484 0.816039 O\n0.121567 0.864217 0.983156 O\n0.127777 0.370615 0.987639 O\n0.322628 0.020182 0.191723 O\n0.327985 0.529672 0.192555 O\n0.189563 0.714938 0.308580 O\n0.136324 0.209815 0.306119 O\n0.796323 0.962464 0.306652 O\n0.803487 0.473022 0.321135 O\n0.365644 0.868846 0.484709 O\n0.363498 0.384299 0.507620 O\n0.638905 0.117091 0.497489 O\n0.626893 0.632241 0.507345 O\n0.204728 0.021009 0.682354 O\n0.209392 0.532511 0.693171 O\n0.832621 0.283087 0.668402 O\n0.803301 0.781728 0.689836 O\n0.696604 0.964053 0.793656 O\n0.697640 0.477869 0.797826 O\n0.876710 0.128994 0.962746 O\n0.886953 0.630878 0.990972 O\n0.681826 0.290230 0.134388 O\n0.685513 0.781507 0.191712 O\n",
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{
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{
"id": "mp-760105",
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"structure_string": "Li4 V2 Cr2 P8 O28\n1.0\n4.867883 -8.224797 0.004054\n4.869608 8.225818 0.005833\n2.603476 0.000994 6.660953\nLi V Cr P O\n4 2 2 8 28\ndirect\n0.067614 0.430486 0.323991 Li\n0.318768 0.181632 0.676442 Li\n0.569241 0.931996 0.323241 Li\n0.818721 0.681554 0.676519 Li\n0.756823 0.756516 0.270794 V\n0.493820 0.993115 0.729171 V\n0.256720 0.256631 0.272286 Cr\n0.993143 0.493515 0.727909 Cr\n0.347600 0.528221 0.523097 P\n0.850034 0.029686 0.521335 P\n0.671396 0.454303 0.085880 P\n0.171697 0.956570 0.085921 P\n0.293664 0.576762 0.914752 P\n0.795676 0.080150 0.913250 P\n0.220724 0.901268 0.477117 P\n0.721339 0.401099 0.478392 P\n0.190557 0.125400 0.084255 O\n0.015759 0.193806 0.393211 O\n0.207553 0.053565 0.490064 O\n0.279295 0.472776 0.116178 O\n0.488662 0.312090 0.145526 O\n0.332817 0.371044 0.481385 O\n0.196004 0.542456 0.509834 O\n0.699364 0.043338 0.505054 O\n0.556510 0.234595 0.605677 O\n0.056576 0.736198 0.606643 O\n0.625278 0.060048 0.917237 O\n0.124901 0.558420 0.917126 O\n0.344783 0.495916 0.753433 O\n0.753623 0.405244 0.247123 O\n0.253470 0.905207 0.246288 O\n0.691081 0.624461 0.080966 O\n0.513357 0.693084 0.394408 O\n0.706683 0.551046 0.495051 O\n0.879104 0.416113 0.518923 O\n0.379014 0.917452 0.518061 O\n0.938205 0.262815 0.852648 O\n0.437324 0.759837 0.853147 O\n0.274005 0.971325 0.884433 O\n0.777384 0.470161 0.884744 O\n0.779110 0.975615 0.114491 O\n0.988634 0.812246 0.148810 O\n0.833585 0.870783 0.482030 O\n0.844803 0.997030 0.753152 O\n",
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{
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"structure_string": "Mn2 Ni2 Bi4 O12\n1.0\n2.742131 4.781116 0.000000\n-2.742131 4.781116 0.000000\n0.000000 2.969055 9.262264\nMn Ni Bi O\n2 2 4 12\ndirect\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.763488 0.236512 0.750000 Ni\n0.236512 0.763488 0.250000 Ni\n0.905851 0.364611 0.377521 Bi\n0.635389 0.094149 0.122479 Bi\n0.094149 0.635389 0.622479 Bi\n0.364611 0.905851 0.877521 Bi\n0.896596 0.280302 0.920220 O\n0.719698 0.103404 0.579780 O\n0.103404 0.719698 0.079780 O\n0.280302 0.896596 0.420220 O\n0.620881 0.696566 0.112436 O\n0.303434 0.379119 0.387564 O\n0.808319 0.881655 0.339955 O\n0.118345 0.191681 0.160045 O\n0.881655 0.808319 0.839955 O\n0.191681 0.118345 0.660045 O\n0.696566 0.620881 0.612436 O\n0.379119 0.303434 0.887564 O\n",
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]
}