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{
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"structure_string": "Mg2 Co2 P2 O10\n1.0\n5.420128 -0.237313 -0.100810\n-1.427334 4.899628 0.274326\n-1.677044 -1.599404 6.012222\nMg Co P O\n2 2 2 10\ndirect\n0.776413 0.618920 0.224355 Mg\n0.233718 0.372575 0.746546 Mg\n0.505067 0.995733 0.485440 Co\n0.505095 0.995755 0.985435 Co\n0.158783 0.283033 0.240242 P\n0.851378 0.708468 0.730655 P\n0.350481 0.325458 0.093494 O\n0.132230 -0.008130 0.305788 O\n0.659684 0.666047 0.877405 O\n0.877909 0.999621 0.665094 O\n0.750110 0.475452 0.518822 O\n0.132815 0.702026 0.867646 O\n0.260075 0.516042 0.452082 O\n0.877362 0.289504 0.103252 O\n0.435793 0.101328 0.728117 O\n0.574364 0.890198 0.242758 O\n",
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{
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"created_at": "2022-09-04T14:37:16.164770Z",
"updated_at": "2022-09-04T14:37:16.164795Z",
"structure_string": "V2 Zn2 S2 F10\n1.0\n6.029803 0.336833 -0.038310\n-2.459929 5.913441 -0.347110\n-2.640369 -1.881516 7.477571\nV Zn S F\n2 2 2 10\ndirect\n-0.002249 0.500807 -0.000664 V\n0.497765 0.000799 -0.000664 V\n0.695616 0.605197 0.264947 Zn\n0.299868 0.396379 0.733715 Zn\n0.651960 0.648914 0.535628 S\n0.343478 0.352586 0.463020 S\n0.296662 0.116450 0.830321 F\n0.681936 0.528206 0.913372 F\n0.698864 0.885141 0.168348 F\n0.313550 0.473374 0.085289 F\n-0.018200 0.393630 0.760149 F\n0.584489 0.242092 0.195864 F\n0.013727 0.608010 0.238522 F\n0.411057 0.759533 0.802803 F\n0.812141 0.182676 -0.020396 F\n0.183389 0.818936 0.019060 F\n",
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{
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"created_at": "2022-09-04T14:37:15.507391Z",
"updated_at": "2022-09-04T14:37:15.507416Z",
"structure_string": "Ca2 Ti2 Si2 O10\n1.0\n5.324764 0.003569 -1.330239\n-1.900160 4.974185 -1.330239\n-0.000728 -0.001058 7.082264\nCa Ti Si O\n2 2 2 10\ndirect\n0.170308 0.829690 0.749999 Ca\n0.829690 0.170309 0.249999 Ca\n0.499999 0.499999 0.499999 Ti\n0.500000 0.500000 -0.000000 Ti\n0.181120 0.818879 0.249999 Si\n0.818879 0.181120 0.749999 Si\n0.184971 0.609541 0.382913 O\n0.390458 0.815028 0.117086 O\n0.815027 0.390458 0.617086 O\n0.609541 0.184971 0.882913 O\n0.879585 0.750559 0.087968 O\n0.249440 0.120414 0.412030 O\n0.429227 0.570772 0.749999 O\n0.570772 0.429227 0.249999 O\n0.750559 0.879585 0.587968 O\n0.120414 0.249440 0.912030 O\n",
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"structure_string": "Li2 V2 Ge2 O10\n1.0\n6.497913 0.073717 0.000000\n0.073717 6.497913 -0.000000\n0.000000 -0.000000 4.550822\nLi V Ge O\n2 2 2 10\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.250000 0.250000 0.618033 V\n0.750000 0.750000 0.381967 V\n0.250000 0.750000 0.500000 Ge\n0.750000 0.250000 0.500000 Ge\n0.030375 0.742444 0.268885 O\n0.250000 0.250000 0.260477 O\n0.242445 0.530375 0.731115 O\n0.257556 0.969625 0.731115 O\n0.469625 0.757555 0.268885 O\n0.530375 0.242445 0.731115 O\n0.742444 0.030375 0.268885 O\n0.757555 0.469625 0.268885 O\n0.750000 0.750000 0.739523 O\n0.969625 0.257556 0.731115 O\n",
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{
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"created_at": "2022-09-04T14:37:09.545926Z",
"updated_at": "2022-09-04T14:37:09.545942Z",
"structure_string": "Zn2 Cr2 Si2 O10\n1.0\n5.163559 -0.063407 -0.041709\n-1.225568 5.275725 -0.007075\n-1.835678 -2.374026 6.310064\nZn Cr Si O\n2 2 2 10\ndirect\n0.306311 0.174367 0.794119 Zn\n0.702183 0.815493 0.234959 Zn\n0.004252 0.494918 0.514559 Cr\n0.004248 0.494925 0.014562 Cr\n0.690238 0.831573 0.752487 Si\n0.318267 0.158276 0.276623 Si\n0.742140 0.689270 0.933102 O\n0.947965 0.842619 0.652534 O\n0.266349 0.300582 0.096010 O\n0.060551 0.147213 0.376591 O\n0.629111 0.304879 0.466906 O\n0.323092 0.846224 0.165067 O\n0.379402 0.684940 0.562202 O\n0.685390 0.143623 0.864030 O\n0.896677 0.543878 0.254174 O\n0.111804 0.445963 0.774944 O\n",
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"structure_string": "Er8 Ge8 Bi8 O40\n1.0\n5.352384 0.000000 0.000000\n0.000000 11.030700 0.000000\n0.000000 0.000000 15.357065\nEr Ge Bi O\n8 8 8 40\ndirect\n0.012171 0.858611 0.554098 Er\n0.512171 0.141389 0.945901 Er\n0.487828 0.358611 0.445901 Er\n0.487828 0.858611 0.054098 Er\n0.987828 0.141389 0.445901 Er\n0.512171 0.641389 0.554098 Er\n0.012171 0.358611 0.945901 Er\n0.987828 0.641389 0.054098 Er\n0.505390 0.097610 0.595230 Ge\n0.494609 0.402390 0.095231 Ge\n0.005390 0.902390 0.904769 Ge\n0.994609 0.097610 0.095231 Ge\n0.994609 0.597610 0.404769 Ge\n0.505390 0.597610 0.904769 Ge\n0.005390 0.402390 0.595230 Ge\n0.494609 0.902390 0.404769 Ge\n0.962671 0.644981 0.738198 Bi\n0.037328 0.855019 0.238198 Bi\n0.962671 0.144981 0.761802 Bi\n0.462671 0.355019 0.761802 Bi\n0.537328 0.144981 0.261802 Bi\n0.037328 0.355019 0.261802 Bi\n0.537328 0.644981 0.238198 Bi\n0.462671 0.855019 0.738198 Bi\n0.696058 0.024929 0.373860 O\n0.350598 0.193169 0.520579 O\n0.253034 0.734546 0.650455 O\n0.064034 0.330927 0.698658 O\n0.301813 0.959319 0.938924 O\n0.649401 0.306831 0.020580 O\n0.149401 0.193169 0.020580 O\n0.564034 0.669073 0.801342 O\n0.698187 0.540681 0.438925 O\n0.303941 0.975071 0.626140 O\n0.301813 0.459319 0.561075 O\n0.196059 0.475071 0.373860 O\n0.564034 0.169073 0.698658 O\n0.803941 0.524929 0.626140 O\n0.350598 0.693169 0.979420 O\n0.149401 0.693169 0.479420 O\n0.753034 0.265454 0.849545 O\n0.303941 0.475071 0.873860 O\n0.649401 0.806831 0.479420 O\n0.935965 0.169073 0.198658 O\n0.753034 0.765454 0.650455 O\n0.196059 0.975071 0.126140 O\n0.253034 0.234546 0.849545 O\n0.696058 0.524929 0.126140 O\n0.746965 0.765454 0.150455 O\n0.198187 0.959319 0.438925 O\n0.935965 0.669073 0.301342 O\n0.801812 0.040681 0.561075 O\n0.435966 0.830927 0.301342 O\n0.198187 0.459319 0.061075 O\n0.746965 0.265454 0.349545 O\n0.801812 0.540681 0.938924 O\n0.064034 0.830927 0.801342 O\n0.246966 0.234546 0.349545 O\n0.850598 0.306831 0.520579 O\n0.850598 0.806831 0.979420 O\n0.435966 0.330927 0.198658 O\n0.803941 0.024929 0.873860 O\n0.698187 0.040681 0.061075 O\n0.246966 0.734546 0.150455 O\n",
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"structure_string": "Li2 V2 Ge2 O10\n1.0\n0.000000 4.670502 0.099612\n6.365198 0.000000 0.000000\n0.000000 -0.442916 -6.596529\nLi V Ge O\n2 2 2 10\ndirect\n-0.000000 0.000000 0.500000 Li\n-0.000000 0.500000 0.500000 Li\n0.382651 0.750000 0.248139 V\n0.617347 0.250000 0.751861 V\n0.475136 0.250000 0.252201 Ge\n0.524863 0.750000 0.747799 Ge\n0.648158 0.250000 0.023842 O\n0.729067 0.750000 0.310893 O\n0.249021 0.474772 0.264029 O\n0.249021 0.025228 0.264029 O\n0.742968 0.250000 0.456787 O\n0.257031 0.750000 0.543214 O\n0.750977 0.974773 0.735972 O\n0.750977 0.525228 0.735972 O\n0.270931 0.250000 0.689108 O\n0.351841 0.750000 0.976158 O\n",
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"structure_string": "Ba1 Ta1 Cu1 O5\n1.0\n3.811819 0.000000 0.000000\n0.000000 3.811819 0.000000\n0.000000 -0.000000 8.608139\nBa Ta Cu O\n1 1 1 5\ndirect\n0.000000 0.000000 0.974581 Ba\n0.500000 0.500000 0.301603 Ta\n0.500000 0.500000 0.713319 Cu\n0.500000 0.000000 0.345461 O\n0.000000 0.500000 0.345461 O\n0.500000 0.000000 0.755456 O\n0.000000 0.500000 0.755456 O\n0.500000 0.500000 0.084812 O\n",
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"created_at": "2022-09-04T14:38:07.857023Z",
"updated_at": "2022-09-04T14:38:07.857055Z",
"structure_string": "Mn2 Zn2 Si2 O10\n1.0\n5.155341 -0.061568 -0.045824\n-1.144134 5.231379 0.008713\n-1.915281 -2.394428 6.283152\nMn Zn Si O\n2 2 2 10\ndirect\n0.004250 0.494927 0.514556 Mn\n0.004245 0.494913 0.014557 Mn\n0.304203 0.171069 0.786959 Zn\n0.704310 0.818802 0.242135 Zn\n0.688971 0.830187 0.748960 Si\n0.319528 0.159647 0.280148 Si\n0.753463 0.693477 0.934857 O\n0.942930 0.838560 0.645714 O\n0.255012 0.296339 0.094239 O\n0.065584 0.151295 0.383406 O\n0.632463 0.297950 0.469016 O\n0.319676 0.841344 0.167722 O\n0.376041 0.691898 0.560088 O\n0.688816 0.148483 0.861399 O\n0.881494 0.533289 0.247698 O\n0.127003 0.456563 0.781414 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Mn",
"Zn",
"Si",
"O"
],
"chemical_system": "Mn-O-Si-Zn",
"density": 4.501333017427448,
"density_atomic": 0.09493574414098299,
"volume": 168.53504593843417,
"volume_molar": 6.343386060214479,
"formula_full": "Mn2 Zn2 Si2 O10",
"formula_reduced": "MnZnSiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.332706717672414,
"spacegroup": 2
}
]
}