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{
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{
"id": "mp-1218553",
"created_at": "2022-09-04T14:42:57.837445Z",
"structure_string": "Sr6 Fe2 Ru2 O11\n1.0\n10.331584 2.755143 0.000000\n-10.331584 2.755143 0.000000\n0.000000 0.384753 5.498301\nSr Fe Ru O\n6 2 2 11\ndirect\n0.990443 0.483309 0.237407 Sr\n0.516691 0.009557 0.762593 Sr\n0.689893 0.821518 0.755426 Sr\n0.178482 0.310107 0.244574 Sr\n0.807028 0.678743 0.251057 Sr\n0.321257 0.192972 0.748943 Sr\n0.101876 0.403733 0.747239 Fe\n0.596267 0.898124 0.252761 Fe\n0.391647 0.085085 0.258935 Ru\n0.914915 0.608353 0.741065 Ru\n0.652426 0.347574 0.500000 O\n0.153711 0.846289 0.000000 O\n0.845166 0.154834 0.500000 O\n0.345111 0.654889 0.000000 O\n0.808766 0.696134 0.757400 O\n0.303866 0.191234 0.242600 O\n0.669191 0.778396 0.276283 O\n0.221604 0.330809 0.723717 O\n0.467666 0.971260 0.281593 O\n0.028740 0.532334 0.718407 O\n0.842454 0.157546 0.000000 O\n",
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{
"id": "mp-1176207",
"created_at": "2022-09-04T14:42:57.839236Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n3.015545 0.000000 0.000000\n1.063452 7.716960 0.000000\n0.049615 0.103567 12.505210\nLi Mn Co O\n9 2 5 16\ndirect\n0.189235 0.625908 0.061320 Li\n0.940400 0.119238 0.316144 Li\n0.684992 0.625136 0.557803 Li\n0.810989 0.375352 0.940248 Li\n0.562036 0.874040 0.190476 Li\n0.314298 0.374810 0.440369 Li\n0.441041 0.126086 0.809676 Li\n0.057361 0.879678 0.684397 Li\n0.500468 0.999139 0.499840 Li\n0.994692 0.998794 0.000439 Mn\n0.250126 0.499609 0.747649 Mn\n0.749071 0.502713 0.252211 Co\n0.624150 0.749628 0.873909 Co\n0.369344 0.251899 0.128311 Co\n0.120008 0.761091 0.378998 Co\n0.889028 0.237746 0.619369 Co\n0.621167 0.813870 0.023613 O\n0.333853 0.316397 0.275750 O\n0.103620 0.801122 0.516248 O\n0.250085 0.569182 0.898149 O\n0.941162 0.070751 0.149906 O\n0.746700 0.570148 0.397526 O\n0.870767 0.313281 0.768002 O\n0.491825 0.076265 0.652699 O\n0.793102 0.436189 0.104057 O\n0.516640 0.922688 0.346931 O\n0.263234 0.428323 0.599953 O\n0.365730 0.188101 0.976780 O\n0.172001 0.684507 0.232052 O\n0.897220 0.196687 0.482382 O\n0.005283 0.926897 0.850462 O\n0.630372 0.684726 0.724330 O\n",
"nsites": 32,
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"elements": [
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],
"chemical_system": "Co-Li-Mn-O",
"density": 4.125581991719113,
"density_atomic": 0.109963087744015,
"volume": 291.0067428671461,
"volume_molar": 5.476511148922125,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -207.30567601,
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"updated_at": "2021-11-28T01:35:58.035000Z",
"spacegroup": 1
},
{
"id": "mp-1228478",
"created_at": "2022-09-04T14:42:57.896696Z",
"structure_string": "Ba12 Ti9 Pt3 O36\n1.0\n2.893223 -5.011209 0.000000\n2.893223 5.011209 0.000000\n0.000000 0.000000 28.458366\nBa Ti Pt O\n12 9 3 36\ndirect\n0.000000 0.000000 0.206152 Ba\n0.000000 0.000000 0.702583 Ba\n0.666667 0.333333 0.295247 Ba\n0.666667 0.333333 0.795996 Ba\n0.666667 0.333333 0.453281 Ba\n0.666667 0.333333 0.953050 Ba\n0.000000 0.000000 0.047772 Ba\n0.000000 0.000000 0.548362 Ba\n0.333333 0.666667 0.373646 Ba\n0.333333 0.666667 0.873677 Ba\n0.333333 0.666667 0.128394 Ba\n0.333333 0.666667 0.625309 Ba\n0.666667 0.333333 0.673954 Ti\n0.666667 0.333333 0.076960 Ti\n0.666667 0.333333 0.578628 Ti\n0.000000 0.000000 0.425705 Ti\n0.000000 0.000000 0.925497 Ti\n0.333333 0.666667 0.251400 Ti\n0.333333 0.666667 0.750752 Ti\n0.333333 0.666667 0.001533 Ti\n0.333333 0.666667 0.501445 Ti\n0.000000 0.000000 0.329937 Pt\n0.000000 0.000000 0.829206 Pt\n0.666667 0.333333 0.169947 Pt\n0.170952 0.341903 0.289142 O\n0.170553 0.341107 0.788495 O\n0.170952 0.829048 0.289142 O\n0.170553 0.829447 0.788495 O\n0.658097 0.829048 0.289142 O\n0.658893 0.829447 0.788495 O\n0.496898 0.993796 0.209857 O\n0.499619 0.999239 0.708809 O\n0.496898 0.503102 0.209857 O\n0.499619 0.500381 0.708809 O\n0.006204 0.503102 0.209857 O\n0.000761 0.500381 0.708809 O\n0.498714 0.997429 0.039098 O\n0.498152 0.996303 0.539650 O\n0.498714 0.501286 0.039098 O\n0.498152 0.501848 0.539650 O\n0.002571 0.501286 0.039098 O\n0.003697 0.501848 0.539650 O\n0.166911 0.333821 0.459876 O\n0.166773 0.333547 0.959864 O\n0.166911 0.833089 0.459876 O\n0.166773 0.833227 0.959864 O\n0.666179 0.833089 0.459876 O\n0.666453 0.833227 0.959864 O\n0.304010 0.152005 0.376275 O\n0.303507 0.151754 0.876082 O\n0.847995 0.695990 0.376275 O\n0.848246 0.696493 0.876082 O\n0.847995 0.152005 0.376275 O\n0.848246 0.151754 0.876082 O\n0.361026 0.180513 0.122464 O\n0.369679 0.184840 0.624242 O\n0.819487 0.638974 0.122464 O\n0.815160 0.630321 0.624242 O\n0.819487 0.180513 0.122464 O\n0.815160 0.184840 0.624242 O\n",
"nsites": 60,
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"elements": [
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"Pt",
"O"
],
"chemical_system": "Ba-O-Pt-Ti",
"density": 6.519646016222661,
"density_atomic": 0.07270878196478936,
"volume": 825.2098079301641,
"volume_molar": 8.282549366480021,
"formula_full": "Ba12 Ti9 Pt3 O36",
"formula_reduced": "Ba4Ti3PtO12",
"formula_anonymous": "AB3C4D12",
"energy": -476.21579173,
"energy_per_atom": -7.936929862166666,
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"updated_at": "2021-11-28T01:35:59.487000Z",
"spacegroup": 156
},
{
"id": "mp-1225249",
"created_at": "2022-09-04T14:42:58.162890Z",
"structure_string": "Eu1 Al3 Si1\n1.0\n-2.172587 2.172587 5.430339\n2.172587 -2.172587 5.430339\n2.172587 2.172587 -5.430339\nEu Al Si\n1 3 1\ndirect\n0.998572 0.998572 0.000000 Eu\n0.751556 0.251556 0.500000 Al\n0.251556 0.751556 0.500000 Al\n0.615168 0.615168 0.000000 Al\n0.383149 0.383149 0.000000 Si\n",
"nsites": 5,
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"elements": [
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"Al",
"Si"
],
"chemical_system": "Al-Eu-Si",
"density": 4.22706111608557,
"density_atomic": 0.04876730069748766,
"volume": 102.52771690227227,
"volume_molar": 12.348726859738296,
"formula_full": "Eu1 Al3 Si1",
"formula_reduced": "EuAl3Si",
"formula_anonymous": "ABC3",
"energy": -28.31120112,
"energy_per_atom": -5.662240224,
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"updated_at": "2021-11-28T01:36:00.737000Z",
"spacegroup": 107
},
{
"id": "mp-1235351",
"created_at": "2022-09-04T14:42:57.847794Z",
"structure_string": "Li1 Co6 O2 F10\n1.0\n4.859814 -0.125890 0.011684\n-0.126062 4.842203 0.016829\n0.028651 0.037671 9.279497\nLi Co O F\n1 6 2 10\ndirect\n0.487688 0.995896 0.014582 Li\n0.974106 0.947828 0.997107 Co\n0.027620 0.038687 0.325156 Co\n0.999655 0.004103 0.659792 Co\n0.501731 0.496665 0.167315 Co\n0.509352 0.498963 0.832529 Co\n0.495741 0.505557 0.486598 Co\n0.316366 0.336034 0.316917 O\n0.677243 0.663006 0.006857 O\n0.228259 0.823877 0.157233 F\n0.216936 0.825720 0.833147 F\n0.217622 0.834603 0.495029 F\n0.270310 0.297214 0.003852 F\n0.287737 0.326047 0.667455 F\n0.714100 0.681529 0.659077 F\n0.727590 0.703347 0.317711 F\n0.767313 0.169952 0.151236 F\n0.760247 0.151914 0.835941 F\n0.806494 0.199059 0.493896 F\n",
"nsites": 19,
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"elements": [
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"O",
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],
"chemical_system": "Co-F-Li-O",
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"volume": 218.21495111754484,
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"formula_full": "Li1 Co6 O2 F10",
"formula_reduced": "LiCo6(OF5)2",
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"updated_at": "2021-11-28T01:35:56.951000Z",
"spacegroup": 1
},
{
"id": "mp-1200279",
"created_at": "2022-09-04T14:42:57.864438Z",
"structure_string": "Mg44 Al48 Cu24\n1.0\n0.000000 10.040874 10.040874\n10.040874 0.000000 10.040874\n10.040874 10.040874 0.000000\nMg Al Cu\n44 48 24\ndirect\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Mg\n0.862811 0.256272 0.256272 Mg\n0.624645 0.862811 0.256272 Mg\n0.256272 0.624645 0.256272 Mg\n0.624645 0.256272 0.256272 Mg\n0.256272 0.862811 0.256272 Mg\n0.862811 0.624645 0.256272 Mg\n0.256272 0.256272 0.862811 Mg\n0.862811 0.256272 0.624645 Mg\n0.624645 0.256272 0.862811 Mg\n0.256272 0.256272 0.624645 Mg\n0.256272 0.624645 0.862811 Mg\n0.256272 0.862811 0.624645 Mg\n0.387189 0.993728 0.993728 Mg\n0.625355 0.387189 0.993728 Mg\n0.993728 0.625355 0.993728 Mg\n0.625355 0.993728 0.993728 Mg\n0.993728 0.387189 0.993728 Mg\n0.387189 0.625355 0.993728 Mg\n0.993728 0.993728 0.387189 Mg\n0.387189 0.993728 0.625355 Mg\n0.625355 0.993728 0.387189 Mg\n0.993728 0.993728 0.625355 Mg\n0.993728 0.625355 0.387189 Mg\n0.993728 0.387189 0.625355 Mg\n0.165802 0.165802 0.502595 Mg\n0.165802 0.502595 0.165802 Mg\n0.502595 0.165802 0.165802 Mg\n0.165802 0.165802 0.165802 Mg\n0.084198 0.084198 0.747405 Mg\n0.084198 0.747405 0.084198 Mg\n0.747405 0.084198 0.084198 Mg\n0.084198 0.084198 0.084198 Mg\n0.468582 0.843806 0.843806 Mg\n0.843806 0.468582 0.843806 Mg\n0.843806 0.843806 0.843806 Mg\n0.843806 0.843806 0.468582 Mg\n0.781418 0.406194 0.406194 Mg\n0.406194 0.781418 0.406194 Mg\n0.406194 0.406194 0.406194 Mg\n0.406194 0.406194 0.781418 Mg\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Mg\n0.010888 0.393668 0.201775 Al\n0.393668 0.010889 0.201775 Al\n0.393668 0.393668 0.201775 Al\n0.393668 0.201775 0.393668 Al\n0.393668 0.201775 0.010888 Al\n0.010888 0.201775 0.393668 Al\n0.201775 0.393668 0.010888 Al\n0.201775 0.393668 0.393668 Al\n0.201775 0.010889 0.393668 Al\n0.393668 0.010889 0.393668 Al\n0.010889 0.393668 0.393668 Al\n0.393668 0.393668 0.010888 Al\n0.239112 0.856332 0.048225 Al\n0.856332 0.239112 0.048225 Al\n0.856332 0.856332 0.048225 Al\n0.856332 0.048225 0.856332 Al\n0.856332 0.048225 0.239112 Al\n0.239112 0.048225 0.856332 Al\n0.048225 0.856332 0.239112 Al\n0.048225 0.856332 0.856332 Al\n0.048225 0.239112 0.856332 Al\n0.856332 0.239112 0.856332 Al\n0.239112 0.856332 0.856332 Al\n0.856332 0.856332 0.239112 Al\n0.797176 0.609588 0.983649 Al\n0.609588 0.797176 0.983649 Al\n0.609588 0.609588 0.983649 Al\n0.609588 0.983649 0.609588 Al\n0.609588 0.983649 0.797176 Al\n0.797176 0.983649 0.609588 Al\n0.983649 0.609588 0.797176 Al\n0.983649 0.609588 0.609588 Al\n0.983649 0.797176 0.609588 Al\n0.609588 0.797176 0.609588 Al\n0.797176 0.609588 0.609588 Al\n0.609588 0.609588 0.797176 Al\n0.452824 0.640412 0.266351 Al\n0.640412 0.452824 0.266351 Al\n0.640412 0.640412 0.266351 Al\n0.640412 0.266351 0.640412 Al\n0.640412 0.266351 0.452824 Al\n0.452824 0.266351 0.640412 Al\n0.266351 0.640412 0.452824 Al\n0.266351 0.640412 0.640412 Al\n0.266351 0.452824 0.640412 Al\n0.640412 0.452824 0.640412 Al\n0.452824 0.640412 0.640412 Al\n0.640412 0.640412 0.452824 Al\n0.748318 0.424189 0.079175 Cu\n0.748318 0.748318 0.079175 Cu\n0.424189 0.748318 0.079175 Cu\n0.748318 0.079175 0.424189 Cu\n0.424189 0.079175 0.748318 Cu\n0.748318 0.079175 0.748318 Cu\n0.079175 0.748318 0.748318 Cu\n0.079175 0.424189 0.748318 Cu\n0.079175 0.748318 0.424189 Cu\n0.424189 0.748318 0.748318 Cu\n0.748318 0.748318 0.424189 Cu\n0.748318 0.424189 0.748318 Cu\n0.501682 0.825811 0.170825 Cu\n0.501682 0.501682 0.170825 Cu\n0.825811 0.501682 0.170825 Cu\n0.501682 0.170825 0.825811 Cu\n0.825811 0.170825 0.501682 Cu\n0.501682 0.170825 0.501682 Cu\n0.170825 0.501682 0.501682 Cu\n0.170825 0.825811 0.501682 Cu\n0.170825 0.501682 0.825811 Cu\n0.825811 0.501682 0.501682 Cu\n0.501682 0.501682 0.825811 Cu\n0.501682 0.825811 0.501682 Cu\n",
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"formula_full": "Mg44 Al48 Cu24",
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"spacegroup": 227
},
{
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{
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{
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{
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{
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]
}