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{
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"results": [
{
"id": "mp-1175667",
"created_at": "2022-09-04T14:40:11.617160Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.740461 5.210635 0.000000\n-5.740461 5.210635 0.000000\n0.000000 1.976782 4.820291\nLi Mn Co O\n9 2 5 16\ndirect\n0.378692 0.125059 0.003700 Li\n0.874941 0.621308 0.996300 Li\n0.493789 0.994008 0.505634 Li\n0.005992 0.506211 0.494366 Li\n0.619301 0.873099 0.004155 Li\n0.126901 0.380699 0.995845 Li\n0.750255 0.747952 0.502315 Li\n0.252048 0.249745 0.497685 Li\n0.249781 0.750219 0.000000 Li\n0.002255 0.997745 0.000000 Mn\n0.124648 0.875352 0.500000 Mn\n0.495434 0.504566 0.000000 Co\n0.625666 0.374334 0.500000 Co\n0.751877 0.248123 0.000000 Co\n0.374466 0.625534 0.500000 Co\n0.874904 0.125096 0.500000 Co\n0.228810 0.988660 0.737387 O\n0.732365 0.490680 0.778304 O\n0.363187 0.871338 0.277895 O\n0.861250 0.360406 0.271391 O\n0.497551 0.726053 0.761940 O\n0.991423 0.243058 0.767997 O\n0.618143 0.608276 0.266298 O\n0.112595 0.117804 0.274707 O\n0.509320 0.267635 0.221696 O\n0.011340 0.771190 0.262613 O\n0.639594 0.138750 0.728609 O\n0.128662 0.636813 0.722105 O\n0.756942 0.008577 0.232003 O\n0.273947 0.502449 0.238060 O\n0.882196 0.887405 0.725293 O\n0.391724 0.381857 0.733702 O\n",
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"elements": [
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"Co",
"O"
],
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"volume": 288.363757568521,
"volume_molar": 5.426772306750465,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
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"updated_at": "2021-11-28T01:34:56.214000Z",
"spacegroup": 5
},
{
"id": "mp-1216872",
"created_at": "2022-09-04T14:42:55.227656Z",
"structure_string": "Tm4 Mn2 Ge8 O24\n1.0\n0.000000 0.000000 4.998772\n9.957410 -0.041582 0.000000\n-0.041582 9.957410 0.000000\nTm Mn Ge O\n4 2 8 24\ndirect\n0.500000 0.000000 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n0.500000 0.750000 0.750000 Tm\n0.500000 0.250000 0.250000 Tm\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.996174 0.747089 0.480037 Ge\n0.003826 0.252911 0.519963 Ge\n0.003826 0.247089 0.980037 Ge\n0.996174 0.752911 0.019963 Ge\n0.003826 0.480037 0.747089 Ge\n0.996174 0.519963 0.252911 Ge\n0.996174 0.980037 0.247089 Ge\n0.003826 0.019963 0.752911 Ge\n0.261656 0.566118 0.668279 O\n0.255467 0.064044 0.330975 O\n0.255467 0.435956 0.169025 O\n0.261656 0.933882 0.831721 O\n0.738344 0.433882 0.331721 O\n0.744533 0.935956 0.669025 O\n0.744533 0.564044 0.830975 O\n0.738344 0.066118 0.168279 O\n0.738344 0.668279 0.566118 O\n0.744533 0.330975 0.064044 O\n0.744533 0.169025 0.435956 O\n0.738344 0.831721 0.933882 O\n0.261656 0.331721 0.433882 O\n0.255467 0.669025 0.935956 O\n0.255467 0.830975 0.564044 O\n0.261656 0.168279 0.066118 O\n0.831414 0.369523 0.630477 O\n0.828212 0.873925 0.373925 O\n0.828212 0.626075 0.126075 O\n0.831414 0.130477 0.869523 O\n0.168586 0.630477 0.369523 O\n0.171788 0.126075 0.626075 O\n0.171788 0.373925 0.873925 O\n0.168586 0.869523 0.130477 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Tm",
"Mn",
"Ge",
"O"
],
"chemical_system": "Ge-Mn-O-Tm",
"density": 5.865660079441287,
"density_atomic": 0.07667169462784999,
"volume": 495.61967013308976,
"volume_molar": 7.854451097279565,
"formula_full": "Tm4 Mn2 Ge8 O24",
"formula_reduced": "Tm2Mn(GeO3)4",
"formula_anonymous": "AB2C4D12",
"energy": -293.86648843,
"energy_per_atom": -7.733328642894737,
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"updated_at": "2021-11-28T01:35:55.326000Z",
"spacegroup": 67
},
{
"id": "mp-1210321",
"created_at": "2022-09-04T14:42:12.046071Z",
"structure_string": "Na12 Mn2 S8 O32\n1.0\n0.047049 0.000000 -8.421074\n0.000000 -9.400189 0.000000\n-9.189463 0.000000 3.972140\nNa Mn S O\n12 2 8 32\ndirect\n0.911110 0.848777 0.553018 Na\n0.088890 0.151223 0.446982 Na\n0.588890 0.348777 0.446982 Na\n0.411110 0.651223 0.553018 Na\n0.532236 0.984732 0.688582 Na\n0.467764 0.015268 0.311418 Na\n0.967764 0.484732 0.311418 Na\n0.032236 0.515268 0.688582 Na\n0.816507 0.362682 0.889298 Na\n0.183493 0.637318 0.110702 Na\n0.683493 0.862682 0.110702 Na\n0.316507 0.137318 0.889298 Na\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.775075 0.693680 0.859086 S\n0.224925 0.306320 0.140914 S\n0.724925 0.193680 0.140914 S\n0.275075 0.806320 0.859086 S\n0.655170 0.648353 0.339702 S\n0.344830 0.351647 0.660298 S\n0.844830 0.148353 0.660298 S\n0.155170 0.851647 0.339702 S\n0.841815 0.811885 0.969285 O\n0.158185 0.188115 0.030715 O\n0.658185 0.311885 0.030715 O\n0.341815 0.688115 0.969285 O\n0.923088 0.604038 0.863321 O\n0.076912 0.395962 0.136679 O\n0.576912 0.104038 0.136679 O\n0.423088 0.895962 0.863321 O\n0.001834 0.915209 0.354649 O\n0.998166 0.084791 0.645351 O\n0.498166 0.415209 0.645351 O\n0.501834 0.584791 0.354649 O\n0.679895 0.755214 0.711727 O\n0.320105 0.244786 0.288273 O\n0.820105 0.255214 0.288273 O\n0.179895 0.744786 0.711727 O\n0.658941 0.604467 0.903657 O\n0.341058 0.395533 0.096343 O\n0.841059 0.104467 0.096343 O\n0.158942 0.895533 0.903657 O\n0.817992 0.604239 0.463959 O\n0.182008 0.395761 0.536041 O\n0.682008 0.104239 0.536041 O\n0.317992 0.895761 0.463959 O\n0.329150 0.403584 0.797117 O\n0.670850 0.596416 0.202883 O\n0.170850 0.903584 0.202883 O\n0.829150 0.096416 0.797117 O\n0.858742 0.306475 0.668272 O\n0.141258 0.693525 0.331728 O\n0.641258 0.806475 0.331728 O\n0.358742 0.193525 0.668272 O\n",
"nsites": 54,
"nelements": 4,
"elements": [
"Na",
"Mn",
"S",
"O"
],
"chemical_system": "Mn-Na-O-S",
"density": 2.641231199332051,
"density_atomic": 0.07441314280404657,
"volume": 725.6782601186345,
"volume_molar": 8.092845609085762,
"formula_full": "Na12 Mn2 S8 O32",
"formula_reduced": "Na6Mn(SO4)4",
"formula_anonymous": "AB4C6D16",
"energy": -343.4978266,
"energy_per_atom": -6.361070862962963,
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"updated_at": "2021-11-28T01:35:38.352000Z",
"spacegroup": 14
},
{
"id": "mp-1203904",
"created_at": "2022-09-04T14:39:20.082828Z",
"structure_string": "La2 Te1 Mo6 O42\n1.0\n8.166321 -0.066252 -2.740014\n-3.558550 9.877517 -2.208992\n0.169349 -0.157424 10.605788\nLa Te Mo O\n2 1 6 42\ndirect\n0.519517 0.277785 0.747934 La\n0.480483 0.722215 0.252066 La\n0.000000 0.500000 0.500000 Te\n0.923226 0.794678 0.557271 Mo\n0.076774 0.205322 0.442729 Mo\n0.859242 0.605206 0.751476 Mo\n0.140758 0.394794 0.248524 Mo\n0.034079 0.674670 0.290930 Mo\n0.965921 0.325330 0.709070 Mo\n0.052156 0.671549 0.655087 O\n0.947844 0.328451 0.344913 O\n0.819399 0.420095 0.558738 O\n0.180601 0.579905 0.441262 O\n0.139995 0.423231 0.620777 O\n0.860005 0.576769 0.379223 O\n0.756691 0.682329 0.617652 O\n0.243309 0.317671 0.382348 O\n0.986353 0.491994 0.176064 O\n0.013647 0.508006 0.823936 O\n0.082542 0.818733 0.466655 O\n0.917458 0.181267 0.533345 O\n0.019828 0.943445 0.696457 O\n0.980172 0.056555 0.303543 O\n0.740064 0.815559 0.428763 O\n0.259936 0.184441 0.571237 O\n0.664309 0.491316 0.757300 O\n0.335691 0.508684 0.242700 O\n0.945317 0.743651 0.901585 O\n0.054683 0.256349 0.098415 O\n0.240150 0.754856 0.275024 O\n0.759850 0.245144 0.724976 O\n0.874783 0.712313 0.179191 O\n0.125217 0.287687 0.820809 O\n0.449100 0.931853 0.597242 O\n0.550900 0.068147 0.402758 O\n0.613990 0.447030 0.024186 O\n0.386010 0.552970 0.975814 O\n0.402824 0.186844 0.943126 O\n0.597176 0.813156 0.056874 O\n0.505463 0.167016 0.432437 O\n0.494537 0.832984 0.567563 O\n0.435499 0.512325 0.882278 O\n0.564501 0.487675 0.117722 O\n0.671417 0.087273 0.887230 O\n0.328583 0.912727 0.112770 O\n0.555424 0.816618 0.927658 O\n0.444576 0.183382 0.072342 O\n0.226227 0.973500 0.115709 O\n0.773773 0.026500 0.884291 O\n0.420937 0.845879 0.875275 O\n0.579063 0.154121 0.124725 O\n",
"nsites": 51,
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"elements": [
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"Mo",
"O"
],
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"volume": 853.2273276794975,
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"formula_full": "La2 Te1 Mo6 O42",
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"formula_anonymous": "AB2C6D42",
"energy": -335.52253998,
"energy_per_atom": -6.578873332941176,
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"updated_at": "2021-11-28T01:34:41.436000Z",
"spacegroup": 2
},
{
"id": "mp-1174929",
"created_at": "2022-09-04T14:43:07.720829Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n5.028960 0.000000 0.000000\n1.704573 5.609594 0.000000\n1.669002 1.102475 7.495030\nLi Mn Co O\n7 2 3 12\ndirect\n0.002956 0.497567 0.001583 Li\n0.007445 0.830263 0.658648 Li\n0.490144 0.338874 0.174112 Li\n0.496761 0.663638 0.827941 Li\n0.994231 0.174294 0.336564 Li\n0.508769 0.996930 0.499120 Li\n0.998357 0.665636 0.335970 Li\n0.999656 0.996837 0.003763 Mn\n0.500503 0.827356 0.172288 Mn\n0.998763 0.338590 0.661734 Co\n0.501291 0.168874 0.828438 Co\n0.500168 0.502421 0.496616 Co\n0.254485 0.692217 0.081763 O\n0.221316 0.008008 0.765710 O\n0.718334 0.517458 0.259475 O\n0.754035 0.837133 0.937896 O\n0.264440 0.346340 0.431025 O\n0.741178 0.193523 0.573664 O\n0.776453 0.312183 0.917150 O\n0.737306 0.644333 0.580384 O\n0.241789 0.140808 0.089804 O\n0.261439 0.500340 0.727122 O\n0.745882 0.991515 0.230695 O\n0.284299 0.814862 0.408533 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 4.140828167481402,
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"volume": 211.43797301030406,
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"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -157.714717,
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"updated_at": "2021-11-28T01:36:04.267000Z",
"spacegroup": 1
},
{
"id": "mp-29637",
"created_at": "2022-09-04T14:39:49.337257Z",
"structure_string": "K8 Mn2 Br12\n1.0\n6.441353 -6.422062 0.000000\n6.441353 6.422062 0.000000\n0.038524 0.000000 9.095737\nK Mn Br\n8 2 12\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.871785 0.628215 0.250000 K\n0.628215 0.250000 0.871785 K\n0.250000 0.871786 0.628214 K\n0.128214 0.371786 0.750000 K\n0.371786 0.750000 0.128214 K\n0.750000 0.128215 0.371785 K\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.943279 0.286969 0.068442 Br\n0.286969 0.068442 0.943279 Br\n0.068442 0.943279 0.286969 Br\n0.213031 0.556721 0.431558 Br\n0.556721 0.431558 0.213031 Br\n0.431558 0.213031 0.556721 Br\n0.056721 0.713031 0.931558 Br\n0.713031 0.931558 0.056721 Br\n0.931558 0.056721 0.713031 Br\n0.786969 0.443279 0.568442 Br\n0.443279 0.568442 0.786969 Br\n0.568442 0.786969 0.443279 Br\n",
"nsites": 22,
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"elements": [
"K",
"Mn",
"Br"
],
"chemical_system": "Br-K-Mn",
"density": 3.0484831595202317,
"density_atomic": 0.029235006629896965,
"volume": 752.5224905371447,
"volume_molar": 20.599074377638424,
"formula_full": "K8 Mn2 Br12",
"formula_reduced": "K4MnBr6",
"formula_anonymous": "AB4C6",
"energy": -86.32856374,
"energy_per_atom": -3.924025624545455,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:32.741000Z",
"spacegroup": 167
},
{
"id": "mp-1224234",
"created_at": "2022-09-04T14:48:16.174731Z",
"structure_string": "Ho4 Mn2 Ge8 O24\n1.0\n0.000000 0.000000 5.020157\n10.013442 -0.049997 0.000000\n-0.049997 10.013442 0.000000\nHo Mn Ge O\n4 2 8 24\ndirect\n0.500000 0.000000 0.500000 Ho\n0.500000 0.500000 0.000000 Ho\n0.500000 0.750000 0.750000 Ho\n0.500000 0.250000 0.250000 Ho\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.996456 0.746870 0.478547 Ge\n0.003544 0.253130 0.521453 Ge\n0.003544 0.246870 0.978547 Ge\n0.996456 0.753130 0.021453 Ge\n0.003544 0.478547 0.746870 Ge\n0.996456 0.521453 0.253130 Ge\n0.996456 0.978547 0.246870 Ge\n0.003544 0.021453 0.753130 Ge\n0.261163 0.563889 0.668635 O\n0.253708 0.062951 0.329794 O\n0.253708 0.437049 0.170206 O\n0.261163 0.936111 0.831365 O\n0.738837 0.436111 0.331365 O\n0.746292 0.937049 0.670206 O\n0.746292 0.562951 0.829794 O\n0.738837 0.063889 0.168635 O\n0.738837 0.668635 0.563889 O\n0.746292 0.329794 0.062951 O\n0.746292 0.170206 0.437049 O\n0.738837 0.831365 0.936111 O\n0.261163 0.331365 0.436111 O\n0.253708 0.670206 0.937049 O\n0.253708 0.829794 0.562951 O\n0.261163 0.168635 0.063889 O\n0.831286 0.369288 0.630712 O\n0.831003 0.872469 0.372469 O\n0.831003 0.627531 0.127531 O\n0.831286 0.130712 0.869288 O\n0.168714 0.630712 0.369288 O\n0.168997 0.127531 0.627531 O\n0.168997 0.372469 0.872469 O\n0.168714 0.869288 0.130712 O\n",
"nsites": 38,
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"elements": [
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"Mn",
"Ge",
"O"
],
"chemical_system": "Ge-Ho-Mn-O",
"density": 5.722699924740378,
"density_atomic": 0.07549363741883888,
"volume": 503.353677200317,
"volume_molar": 7.977017621483978,
"formula_full": "Ho4 Mn2 Ge8 O24",
"formula_reduced": "Ho2Mn(GeO3)4",
"formula_anonymous": "AB2C4D12",
"energy": -293.83842429000003,
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"updated_at": "2021-11-28T01:38:50.915000Z",
"spacegroup": 67
},
{
"id": "mp-850795",
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{
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{
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{
"id": "mp-1275789",
"created_at": "2022-09-04T14:40:58.527538Z",
"structure_string": "Co6 O4 F8\n1.0\n-0.000563 4.701108 0.000365\n-0.070080 0.000484 9.272487\n4.688398 -0.000599 -0.030683\nCo O F\n6 4 8\ndirect\n0.024155 0.662783 0.027578 Co\n0.524167 0.503876 0.472364 Co\n0.988861 0.340165 0.012676 Co\n0.488870 0.826497 0.487316 Co\n0.957372 0.006235 0.957457 Co\n0.457333 0.160437 0.542669 Co\n0.829705 0.488797 0.187995 O\n0.329709 0.677873 0.311941 O\n0.680226 0.995457 0.692839 O\n0.180237 0.171199 0.807211 O\n0.783687 0.164054 0.205050 F\n0.283655 0.002653 0.295003 F\n0.723859 0.672631 0.707196 F\n0.223789 0.494028 0.792687 F\n0.813950 0.842416 0.200683 F\n0.313997 0.324236 0.299275 F\n0.698196 0.326126 0.686863 F\n0.198232 0.840533 0.813197 F\n",
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{
"id": "mp-780653",
"created_at": "2022-09-04T14:47:02.816383Z",
"structure_string": "Li20 Mn2 Si4 O20\n1.0\n3.059487 15.067449 0.000000\n-3.059487 15.067449 0.000000\n0.000000 0.883095 5.099116\nLi Mn Si O\n20 2 4 20\ndirect\n0.491226 0.491226 0.756165 Li\n0.224568 0.643736 0.400440 Li\n0.643736 0.224568 0.400440 Li\n0.867463 0.867463 0.281946 Li\n0.084035 0.652152 0.734384 Li\n0.652152 0.084035 0.734384 Li\n0.324516 0.324516 0.428544 Li\n0.047055 0.562262 0.099577 Li\n0.562262 0.047055 0.099577 Li\n0.269110 0.269110 0.823350 Li\n0.730890 0.730890 0.176650 Li\n0.437738 0.952945 0.900423 Li\n0.952945 0.437738 0.900423 Li\n0.675484 0.675484 0.571456 Li\n0.347848 0.915965 0.265616 Li\n0.915965 0.347848 0.265616 Li\n0.132537 0.132537 0.718054 Li\n0.775432 0.356264 0.599560 Li\n0.356264 0.775432 0.599560 Li\n0.508774 0.508774 0.243835 Li\n0.962250 0.962250 0.703848 Mn\n0.037750 0.037750 0.296152 Mn\n0.399585 0.399585 0.005869 Si\n0.780435 0.780435 0.628335 Si\n0.219565 0.219565 0.371665 Si\n0.600415 0.600415 0.994131 Si\n0.449504 0.449504 0.098647 O\n0.907208 0.907208 0.546530 O\n0.404352 0.404352 0.681313 O\n0.153032 0.588005 0.120131 O\n0.588005 0.153032 0.120131 O\n0.030963 0.580587 0.715352 O\n0.580587 0.030963 0.715352 O\n0.785834 0.785834 0.307087 O\n0.271565 0.271565 0.219114 O\n0.728435 0.728435 0.780886 O\n0.214166 0.214166 0.692913 O\n0.969037 0.419413 0.284648 O\n0.419413 0.969037 0.284648 O\n0.411995 0.846968 0.879869 O\n0.846968 0.411995 0.879869 O\n0.595648 0.595648 0.318687 O\n0.092792 0.092792 0.453470 O\n0.550496 0.550496 0.901353 O\n0.246439 0.753561 0.500000 O\n0.753561 0.246439 0.500000 O\n",
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]
}