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{
"id": "mp-1211208",
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"structure_string": "Mg16 Mo12 O48\n1.0\n5.240825 0.000000 0.000000\n0.000000 10.744006 0.000000\n0.000000 0.000000 17.351539\nMg Mo O\n16 12 48\ndirect\n0.078952 0.250000 0.250312 Mg\n0.921048 0.750000 0.749688 Mg\n0.421048 0.750000 0.750312 Mg\n0.578952 0.250000 0.249688 Mg\n0.232779 0.071523 0.526899 Mg\n0.767221 0.928477 0.473101 Mg\n0.267221 0.928477 0.026899 Mg\n0.767221 0.571523 0.473101 Mg\n0.732779 0.071523 0.973101 Mg\n0.232779 0.428477 0.526899 Mg\n0.732779 0.428477 0.973101 Mg\n0.267221 0.571523 0.026899 Mg\n0.256135 0.250000 0.697111 Mg\n0.743865 0.750000 0.302889 Mg\n0.243865 0.750000 0.197111 Mg\n0.756135 0.250000 0.802889 Mg\n0.295391 0.533871 0.334241 Mo\n0.704609 0.466129 0.665759 Mo\n0.204609 0.466129 0.834241 Mo\n0.704609 0.033871 0.665759 Mo\n0.795391 0.533871 0.165759 Mo\n0.295391 0.966129 0.334241 Mo\n0.795391 0.966129 0.165759 Mo\n0.204609 0.033871 0.834241 Mo\n0.270486 0.250000 0.054835 Mo\n0.729514 0.750000 0.945165 Mo\n0.229514 0.750000 0.554835 Mo\n0.770486 0.250000 0.445165 Mo\n0.055892 0.250000 0.505917 O\n0.944108 0.750000 0.494083 O\n0.444108 0.750000 0.005917 O\n0.555892 0.250000 0.994083 O\n0.079176 0.114855 0.036681 O\n0.920824 0.885145 0.963319 O\n0.420824 0.885145 0.536681 O\n0.920824 0.614855 0.963319 O\n0.579176 0.114855 0.463319 O\n0.079176 0.385145 0.036681 O\n0.579176 0.385145 0.463319 O\n0.420824 0.614855 0.536681 O\n0.091795 0.001941 0.423631 O\n0.908205 0.998059 0.576369 O\n0.408205 0.998059 0.923631 O\n0.908205 0.501941 0.576369 O\n0.591795 0.001941 0.076369 O\n0.091795 0.498059 0.423631 O\n0.591795 0.498059 0.076369 O\n0.408205 0.501941 0.923631 O\n0.328604 0.122218 0.291306 O\n0.671396 0.877782 0.708694 O\n0.171396 0.877782 0.791306 O\n0.671396 0.622218 0.708694 O\n0.828604 0.122218 0.208694 O\n0.328604 0.377782 0.291306 O\n0.828604 0.377782 0.208694 O\n0.171396 0.622218 0.791306 O\n0.335616 0.250000 0.155813 O\n0.664384 0.750000 0.844187 O\n0.164384 0.750000 0.655813 O\n0.835616 0.250000 0.344187 O\n0.044974 0.626258 0.275930 O\n0.955026 0.373742 0.724070 O\n0.455026 0.373742 0.775930 O\n0.955026 0.126258 0.724070 O\n0.544974 0.626258 0.224070 O\n0.044974 0.873742 0.275930 O\n0.544974 0.873742 0.224070 O\n0.455026 0.126258 0.775930 O\n0.059947 0.622790 0.120410 O\n0.940053 0.377210 0.879590 O\n0.440053 0.377210 0.620410 O\n0.940053 0.122790 0.879590 O\n0.559947 0.622790 0.379590 O\n0.059947 0.877210 0.120410 O\n0.559947 0.877210 0.379590 O\n0.440053 0.122790 0.620410 O\n",
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"elements": [
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],
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"density_atomic": 0.07778747801600211,
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"formula_full": "Mg16 Mo12 O48",
"formula_reduced": "Mg4(MoO4)3",
"formula_anonymous": "A3B4C12",
"energy": -578.09938752,
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"updated_at": "2021-11-28T01:38:02.117000Z",
"spacegroup": 62
},
{
"id": "mp-1521374",
"created_at": "2022-09-04T14:47:24.275508Z",
"structure_string": "Nd1 Eu1 Ge4 O12\n1.0\n6.757018 0.000000 0.000000\n0.000000 6.757018 0.000000\n0.000000 0.000000 9.524759\nNd Eu Ge O\n1 1 4 12\ndirect\n-0.000000 -0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Eu\n-0.000000 0.500000 0.744836 Ge\n-0.000000 0.500000 0.255164 Ge\n0.500000 0.000000 0.744836 Ge\n0.500000 -0.000000 0.255164 Ge\n0.246282 0.246282 0.753225 O\n0.246282 0.246282 0.246775 O\n0.753718 0.753718 0.246775 O\n0.753718 0.753718 0.753225 O\n0.753718 0.246282 0.753225 O\n0.753718 0.246282 0.246775 O\n0.246282 0.753718 0.246775 O\n0.246282 0.753718 0.753225 O\n-0.000000 0.500000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
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"elements": [
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],
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"formula_full": "Nd1 Eu1 Ge4 O12",
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{
"id": "mp-888265",
"created_at": "2022-09-04T14:47:24.296425Z",
"structure_string": "Li1 La8 Cu3 O16\n1.0\n7.091025 0.000000 0.000000\n-2.035502 7.293604 0.000000\n-1.015308 -4.193581 7.275291\nLi La Cu O\n1 8 3 16\ndirect\n0.000654 0.749562 0.500606 Li\n0.274619 0.840658 0.320272 La\n0.722202 0.169189 0.675875 La\n0.276396 0.328422 0.326280 La\n0.278091 0.592530 0.815296 La\n0.277149 0.098699 0.817879 La\n0.723410 0.657509 0.681393 La\n0.722443 0.907444 0.186091 La\n0.723152 0.402065 0.183175 La\n0.000287 0.249948 0.500265 Cu\n0.001019 0.498226 0.001279 Cu\n0.997096 0.002245 0.997511 Cu\n0.995675 0.630113 0.246458 O\n0.628462 0.293665 0.411119 O\n0.003998 0.126608 0.249551 O\n0.006869 0.495387 0.500635 O\n0.634787 0.800974 0.401401 O\n0.633723 0.546208 0.903059 O\n0.629246 0.053923 0.897996 O\n0.362279 0.704787 0.592508 O\n0.996977 0.375341 0.749986 O\n0.993329 0.006504 0.498602 O\n0.996446 0.747698 0.000471 O\n0.997098 0.247647 0.000692 O\n0.368816 0.212102 0.582423 O\n0.370723 0.450126 0.089380 O\n0.367908 0.957937 0.085236 O\n0.004567 0.872055 0.752965 O\n",
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"formula_full": "Li1 La8 Cu3 O16",
"formula_reduced": "LiLa8Cu3O16",
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{
"id": "mp-1220209",
"created_at": "2022-09-04T14:47:24.310110Z",
"structure_string": "P6 Pb10 O25\n1.0\n5.015158 -8.686508 0.000000\n5.015158 8.686508 0.000000\n0.000000 0.000000 7.495712\nP Pb O\n6 10 25\ndirect\n0.695352 0.737328 0.750645 P\n0.262672 0.958024 0.750645 P\n0.041976 0.304648 0.750645 P\n0.638501 0.936401 0.250907 P\n0.063599 0.702100 0.250907 P\n0.297900 0.361499 0.250907 P\n0.000000 0.000000 0.504830 Pb\n0.333333 0.666667 0.988589 Pb\n0.333333 0.666667 0.509306 Pb\n0.000000 0.000000 0.994991 Pb\n0.890785 0.560121 0.730693 Pb\n0.439879 0.330663 0.730693 Pb\n0.669337 0.109215 0.730693 Pb\n0.409517 0.069781 0.244798 Pb\n0.930219 0.339737 0.244798 Pb\n0.660263 0.590483 0.244798 Pb\n0.743022 0.679805 0.581115 O\n0.320195 0.063217 0.581115 O\n0.936783 0.256978 0.581115 O\n0.575311 0.982397 0.086506 O\n0.017603 0.592914 0.086506 O\n0.407086 0.424689 0.086506 O\n0.577468 0.981038 0.419547 O\n0.018962 0.596429 0.419547 O\n0.403571 0.422532 0.419547 O\n0.736135 0.671282 0.917241 O\n0.328718 0.064853 0.917241 O\n0.935147 0.263865 0.917241 O\n0.520689 0.684335 0.747293 O\n0.315665 0.836354 0.747293 O\n0.163646 0.479311 0.747293 O\n0.815480 0.011230 0.250545 O\n0.988770 0.804249 0.250545 O\n0.195751 0.184520 0.250545 O\n0.794488 0.917128 0.754494 O\n0.082872 0.877360 0.754494 O\n0.122640 0.205512 0.754494 O\n0.561555 0.754903 0.249999 O\n0.245097 0.806652 0.249999 O\n0.193348 0.438445 0.249999 O\n0.666667 0.333333 0.685156 O\n",
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{
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"structure_string": "Li12 V6 P16 O58\n1.0\n9.800028 0.000000 0.000000\n-4.887038 8.500749 0.000000\n-0.019055 -0.175827 13.996917\nLi V P O\n12 6 16 58\ndirect\n0.337924 0.682950 0.392334 Li\n0.668640 0.765056 0.058162 Li\n0.097018 0.331832 0.058358 Li\n0.762859 0.663860 0.443511 Li\n0.230197 0.325612 0.565720 Li\n0.903749 0.661650 0.934497 Li\n0.340938 0.237183 0.937963 Li\n0.330375 0.096054 0.441355 Li\n0.898717 0.230054 0.446609 Li\n0.762813 0.099828 0.935946 Li\n0.032141 0.982179 0.998283 Li\n0.975134 0.957882 0.513335 Li\n0.565940 0.564645 0.250718 V\n0.435957 0.435031 0.752432 V\n0.002003 0.567026 0.748523 V\n0.997091 0.435959 0.249134 V\n0.435254 0.999157 0.247330 V\n0.559797 0.997287 0.745625 V\n0.222029 0.918003 0.838753 P\n0.086192 0.781789 0.340037 P\n0.693333 0.913857 0.341402 P\n0.335739 0.664726 0.129913 P\n0.330244 0.662911 0.631728 P\n0.688692 0.777042 0.841273 P\n0.774042 0.684098 0.658551 P\n0.087539 0.315276 0.842432 P\n0.915052 0.688905 0.153153 P\n0.225895 0.320460 0.342400 P\n0.311006 0.225422 0.158576 P\n0.665318 0.330995 0.371547 P\n0.668726 0.333444 0.869367 P\n0.309815 0.085842 0.654771 P\n0.910730 0.222364 0.659053 P\n0.770973 0.083947 0.155408 P\n0.224772 0.016086 0.562070 O\n0.255438 0.922812 0.343370 O\n0.986550 0.767563 0.061102 O\n0.083909 0.747248 0.841171 O\n0.382073 0.926270 0.832582 O\n0.333778 0.809912 0.179268 O\n0.530289 0.903672 0.334441 O\n0.769637 0.999894 0.064274 O\n0.662791 0.918504 0.842356 O\n0.189980 0.671521 0.675274 O\n0.099436 0.630086 0.329698 O\n0.480405 0.810529 0.675943 O\n0.338302 0.665251 0.023967 O\n0.330847 0.660730 0.524296 O\n0.491587 0.674823 0.170702 O\n0.086917 0.469984 0.829794 O\n0.188607 0.511790 0.169930 O\n0.663865 0.742305 0.342243 O\n0.794020 0.796825 0.749106 O\n0.788261 0.771140 0.568067 O\n0.777028 0.775160 0.929962 O\n0.531273 0.620628 0.828217 O\n0.324906 0.510846 0.669514 O\n0.746171 0.661825 0.161603 O\n0.372102 0.485455 0.328139 O\n0.078596 0.340816 0.342787 O\n0.013791 0.802173 0.240380 O\n0.986652 0.785231 0.419590 O\n0.998461 0.217634 0.570522 O\n0.913217 0.653843 0.667990 O\n0.616911 0.531533 0.669600 O\n0.257471 0.342432 0.844385 O\n0.669392 0.482826 0.331470 O\n0.465851 0.384092 0.171988 O\n0.223033 0.223102 0.069252 O\n0.234878 0.238779 0.430592 O\n0.203627 0.211851 0.250298 O\n0.335863 0.256203 0.665361 O\n0.812794 0.487790 0.831479 O\n0.916436 0.532542 0.170066 O\n0.512236 0.323890 0.830411 O\n0.667155 0.332721 0.976303 O\n0.660870 0.328718 0.477733 O\n0.514779 0.183431 0.327815 O\n0.913674 0.378781 0.670432 O\n0.812862 0.326715 0.330719 O\n0.339397 0.086912 0.162413 O\n0.195798 0.989266 0.740524 O\n0.207209 0.013019 0.919278 O\n0.468074 0.091295 0.667287 O\n0.675433 0.187753 0.826809 O\n0.620655 0.093066 0.170251 O\n0.919826 0.249842 0.160589 O\n0.000489 0.227778 0.931319 O\n0.004148 0.205149 0.750555 O\n0.744188 0.082764 0.661930 O\n0.798483 0.008227 0.422303 O\n0.786236 0.985983 0.242435 O\n",
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"formula_full": "Li12 V6 P16 O58",
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{
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