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{
"id": "mp-705159",
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"structure_string": "K16 Co16 Mo24 O96\n1.0\n8.387938 0.000000 0.000000\n0.000000 14.232453 0.000000\n0.000000 5.443970 19.361644\nK Co Mo O\n16 16 24 96\ndirect\n0.319827 0.987090 0.782517 K\n0.977200 0.289456 0.584438 K\n0.014224 0.898775 0.588155 K\n0.477200 0.710544 0.915562 K\n0.522800 0.289456 0.084438 K\n0.022800 0.710544 0.415562 K\n0.016977 0.498601 0.735553 K\n0.514224 0.101225 0.911845 K\n0.819827 0.012910 0.717483 K\n0.483023 0.498601 0.235553 K\n0.485776 0.898775 0.088155 K\n0.985776 0.101225 0.411845 K\n0.516977 0.501399 0.764447 K\n0.180173 0.987090 0.282517 K\n0.983023 0.501399 0.264447 K\n0.680173 0.012910 0.217483 K\n0.046230 0.710134 0.946721 Co\n0.375638 0.221377 0.429899 Co\n0.953770 0.289866 0.053279 Co\n0.546230 0.289866 0.553279 Co\n0.829024 0.585918 0.876028 Co\n0.067691 0.883184 0.158215 Co\n0.170976 0.414082 0.123972 Co\n0.124362 0.221377 0.929899 Co\n0.329024 0.414082 0.623972 Co\n0.567691 0.116816 0.341785 Co\n0.453770 0.710134 0.446721 Co\n0.875638 0.778623 0.070101 Co\n0.670976 0.585918 0.376028 Co\n0.624362 0.778623 0.570101 Co\n0.932309 0.116816 0.841785 Co\n0.432309 0.883184 0.658215 Co\n0.360518 0.960441 0.450137 Mo\n0.235828 0.257511 0.755885 Mo\n0.626435 0.251121 0.732173 Mo\n0.860518 0.039559 0.049863 Mo\n0.202432 0.120364 0.087662 Mo\n0.764279 0.326900 0.897493 Mo\n0.139482 0.960441 0.950137 Mo\n0.235721 0.673100 0.102507 Mo\n0.126435 0.748879 0.767827 Mo\n0.639482 0.039559 0.549863 Mo\n0.812403 0.534211 0.047060 Mo\n0.764172 0.742489 0.244115 Mo\n0.702432 0.879636 0.412338 Mo\n0.873565 0.251121 0.232173 Mo\n0.297568 0.120364 0.587662 Mo\n0.264279 0.673100 0.602507 Mo\n0.264172 0.257511 0.255885 Mo\n0.373565 0.748879 0.267827 Mo\n0.187597 0.465789 0.952940 Mo\n0.312403 0.465789 0.452940 Mo\n0.735721 0.326900 0.397493 Mo\n0.687597 0.534211 0.547060 Mo\n0.735828 0.742489 0.744115 Mo\n0.797568 0.879636 0.912338 Mo\n0.570631 0.299088 0.875690 O\n0.831660 0.766560 0.888466 O\n0.229711 0.856845 0.711937 O\n0.702550 0.833779 0.997150 O\n0.325644 0.488646 0.886491 O\n0.352962 0.091443 0.401562 O\n0.408318 0.347911 0.459469 O\n0.770289 0.143155 0.288063 O\n0.671610 0.080565 0.066018 O\n0.792496 0.704131 0.167701 O\n0.331660 0.233440 0.611534 O\n0.438242 0.342064 0.711643 O\n0.827388 0.242763 0.145995 O\n0.912522 0.836734 0.240827 O\n0.061758 0.342064 0.211643 O\n0.147038 0.091443 0.901562 O\n0.474623 0.033515 0.635444 O\n0.816597 0.451179 0.853598 O\n0.672612 0.242763 0.645995 O\n0.420251 0.172447 0.775136 O\n0.929369 0.299088 0.375690 O\n0.852962 0.908557 0.098438 O\n0.741837 0.314894 0.489679 O\n0.361071 0.063464 0.140776 O\n0.861071 0.936536 0.359224 O\n0.144968 0.354185 0.684686 O\n0.587478 0.836734 0.740827 O\n0.516422 0.160175 0.523451 O\n0.159570 0.978642 0.036735 O\n0.328390 0.919435 0.933982 O\n0.183403 0.548821 0.146402 O\n0.483578 0.839825 0.476549 O\n0.855032 0.645815 0.315314 O\n0.172612 0.757237 0.854005 O\n0.138929 0.063464 0.640776 O\n0.327388 0.757237 0.354005 O\n0.070631 0.700912 0.624310 O\n0.340430 0.978642 0.536735 O\n0.171610 0.919435 0.433982 O\n0.079749 0.172447 0.275136 O\n0.355032 0.354185 0.184686 O\n0.683403 0.451179 0.353598 O\n0.241837 0.685106 0.010321 O\n0.097153 0.766014 0.118283 O\n0.207504 0.295869 0.832299 O\n0.402847 0.766014 0.618283 O\n0.828390 0.080565 0.566018 O\n0.974623 0.966485 0.864556 O\n0.538668 0.432311 0.566016 O\n0.920251 0.827553 0.724864 O\n0.597153 0.233986 0.381717 O\n0.561758 0.657936 0.288357 O\n0.644968 0.645815 0.815314 O\n0.961332 0.432311 0.066016 O\n0.659570 0.021358 0.463265 O\n0.025377 0.033515 0.135444 O\n0.794746 0.545241 0.467859 O\n0.087478 0.163266 0.759173 O\n0.938242 0.657936 0.788357 O\n0.638929 0.936536 0.859224 O\n0.705254 0.545241 0.967859 O\n0.758163 0.314894 0.989679 O\n0.205254 0.454759 0.532141 O\n0.525377 0.966485 0.364556 O\n0.016422 0.839825 0.976549 O\n0.579749 0.827553 0.224864 O\n0.247827 0.656236 0.752193 O\n0.825644 0.511354 0.613509 O\n0.316597 0.548821 0.646402 O\n0.902847 0.233986 0.881717 O\n0.591682 0.652089 0.540531 O\n0.840430 0.021358 0.963265 O\n0.038668 0.567689 0.933984 O\n0.429369 0.700912 0.124310 O\n0.461332 0.567689 0.433984 O\n0.297450 0.166221 0.002850 O\n0.747827 0.343764 0.747807 O\n0.412522 0.163266 0.259173 O\n0.908318 0.652089 0.040531 O\n0.270289 0.856845 0.211937 O\n0.752173 0.343764 0.247807 O\n0.174356 0.488646 0.386491 O\n0.797450 0.833779 0.497150 O\n0.168340 0.233440 0.111534 O\n0.202550 0.166221 0.502850 O\n0.292496 0.295869 0.332299 O\n0.258163 0.685106 0.510321 O\n0.647038 0.908557 0.598438 O\n0.674356 0.511354 0.113509 O\n0.707504 0.704131 0.667701 O\n0.091682 0.347911 0.959469 O\n0.294746 0.454759 0.032141 O\n0.668340 0.766560 0.388466 O\n0.729711 0.143155 0.788063 O\n0.252173 0.656236 0.252193 O\n0.983578 0.160175 0.023451 O\n",
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"elements": [
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"volume": 2311.4111319474855,
"volume_molar": 9.157659993959667,
"formula_full": "K16 Co16 Mo24 O96",
"formula_reduced": "K2Co2(MoO4)3",
"formula_anonymous": "A2B2C3D12",
"energy": -1155.47781577,
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"updated_at": "2021-11-28T01:34:47.649000Z",
"spacegroup": 14
},
{
"id": "mp-1204015",
"created_at": "2022-09-04T14:40:03.756324Z",
"structure_string": "Ca4 Fe12 Si8 O36\n1.0\n0.000000 0.000000 5.980916\n9.188101 0.000000 0.000000\n0.000000 20.126329 0.000000\nCa Fe Si O\n4 12 8 36\ndirect\n0.250000 0.512011 0.954098 Ca\n0.250000 0.987989 0.454098 Ca\n0.750000 0.487989 0.045902 Ca\n0.750000 0.012011 0.545902 Ca\n0.997785 0.367843 0.634822 Fe\n0.502215 0.132157 0.134822 Fe\n0.497785 0.632157 0.365178 Fe\n0.002215 0.867843 0.865178 Fe\n0.002215 0.632157 0.365178 Fe\n0.497785 0.867843 0.865178 Fe\n0.502215 0.367843 0.634822 Fe\n0.997785 0.132157 0.134822 Fe\n0.250000 0.943841 0.241087 Fe\n0.250000 0.556159 0.741087 Fe\n0.750000 0.056159 0.758913 Fe\n0.750000 0.443841 0.258913 Fe\n0.250000 0.222951 0.553912 Si\n0.250000 0.277049 0.053912 Si\n0.750000 0.777049 0.446088 Si\n0.750000 0.722951 0.946088 Si\n0.250000 0.655089 0.251483 Si\n0.250000 0.844911 0.751483 Si\n0.750000 0.344911 0.748517 Si\n0.750000 0.155089 0.248517 Si\n0.250000 0.406351 0.567125 O\n0.250000 0.093649 0.067125 O\n0.750000 0.593649 0.432875 O\n0.750000 0.906351 0.932875 O\n0.250000 0.200536 0.637953 O\n0.250000 0.299464 0.137953 O\n0.750000 0.799464 0.362047 O\n0.750000 0.700536 0.862047 O\n0.250000 0.545531 0.402495 O\n0.250000 0.954469 0.902495 O\n0.750000 0.454469 0.597505 O\n0.750000 0.045531 0.097505 O\n0.250000 0.771380 0.318759 O\n0.250000 0.728620 0.818759 O\n0.750000 0.228620 0.681241 O\n0.750000 0.271380 0.181241 O\n0.033083 0.152343 0.518862 O\n0.466917 0.347656 0.018862 O\n0.533083 0.847657 0.481138 O\n0.966917 0.652343 0.981138 O\n0.966917 0.847657 0.481138 O\n0.533083 0.652343 0.981138 O\n0.466917 0.152343 0.518862 O\n0.033083 0.347656 0.018862 O\n0.519618 0.437943 0.730915 O\n0.980382 0.062057 0.230915 O\n0.019618 0.562057 0.269085 O\n0.480382 0.937943 0.769085 O\n0.480382 0.562057 0.269085 O\n0.019618 0.937943 0.769085 O\n0.980382 0.437943 0.730915 O\n0.519618 0.062057 0.230915 O\n0.250000 0.758070 0.187861 O\n0.250000 0.741930 0.687861 O\n0.750000 0.241930 0.812139 O\n0.750000 0.258070 0.312139 O\n",
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"formula_full": "Ca4 Fe12 Si8 O36",
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"spacegroup": 62
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{
"id": "mp-755473",
"created_at": "2022-09-04T14:40:07.137493Z",
"structure_string": "Li3 V1 Cr3 O8\n1.0\n2.931863 5.164303 0.000000\n-2.931863 5.164303 0.000000\n0.000000 3.380946 4.894051\nLi V Cr O\n3 1 3 8\ndirect\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.733397 0.733397 0.785928 O\n0.745471 0.234467 0.783876 O\n0.234467 0.745471 0.783876 O\n0.761854 0.761854 0.224919 O\n0.238146 0.238146 0.775081 O\n0.765533 0.254529 0.216124 O\n0.254529 0.765533 0.216124 O\n0.266603 0.266603 0.214072 O\n",
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"formula_full": "Li3 V1 Cr3 O8",
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"spacegroup": 12
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{
"id": "mp-1174346",
"created_at": "2022-09-04T14:40:14.241357Z",
"structure_string": "Li10 Mn4 Co2 O16\n1.0\n2.872680 0.191638 0.030452\n-0.390542 5.866878 0.073431\n-0.173517 0.048065 16.305278\nLi Mn Co O\n10 4 2 16\ndirect\n0.499998 0.249932 0.124985 Li\n0.499995 0.250079 0.625024 Li\n0.499996 0.750011 0.374989 Li\n0.499996 0.750023 0.874990 Li\n0.499998 0.749900 0.124997 Li\n0.499998 0.750114 0.625018 Li\n0.998911 0.508714 0.010238 Li\n0.998922 0.508865 0.510280 Li\n0.001068 0.991137 0.239733 Li\n0.001073 0.991325 0.739774 Li\n0.000705 0.999387 0.503584 Mn\n0.999297 0.500601 0.246421 Mn\n0.000677 0.999116 0.003548 Mn\n0.999342 0.500880 0.746453 Mn\n0.499994 0.250001 0.375002 Co\n0.499999 0.250021 0.875002 Co\n0.500182 0.229955 0.993652 O\n0.500179 0.230163 0.493664 O\n0.499807 0.269817 0.256364 O\n0.499831 0.270038 0.756374 O\n0.000274 0.003649 0.114800 O\n0.000286 0.003868 0.614841 O\n0.999742 0.496077 0.135169 O\n0.999750 0.496295 0.635208 O\n0.999759 0.472513 0.370663 O\n0.999758 0.472573 0.870689 O\n0.000226 0.027490 0.379315 O\n0.000235 0.027472 0.879287 O\n0.499499 0.720102 0.252237 O\n0.499534 0.720329 0.752271 O\n0.500490 0.779888 0.497730 O\n0.500482 0.779662 0.997697 O\n",
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"formula_full": "Li10 Mn4 Co2 O16",
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"spacegroup": 10
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{
"id": "mp-1046564",
"created_at": "2022-09-04T14:40:03.807736Z",
"structure_string": "V10 Zn8 Te6 O36\n1.0\n4.572968 7.482752 0.000000\n-4.572968 7.482752 0.000000\n0.000000 0.945827 10.723418\nV Zn Te O\n10 8 6 36\ndirect\n0.300085 0.998281 0.732168 V\n0.998281 0.300085 0.232168 V\n0.141081 0.534300 0.050542 V\n0.534300 0.141081 0.550542 V\n0.465700 0.858919 0.449458 V\n0.829986 0.170014 0.750000 V\n0.170014 0.829986 0.250000 V\n0.858919 0.465700 0.949458 V\n0.699915 0.001719 0.267832 V\n0.001719 0.699915 0.767832 V\n0.350380 0.059601 0.070656 Zn\n0.383698 0.681969 0.964661 Zn\n0.940399 0.649620 0.429344 Zn\n0.318031 0.616302 0.535339 Zn\n0.681969 0.383698 0.464661 Zn\n0.059601 0.350380 0.570656 Zn\n0.649620 0.940399 0.929344 Zn\n0.616302 0.318031 0.035339 Zn\n0.660181 0.655919 0.699042 Te\n0.000000 0.000000 0.000000 Te\n0.000000 0.000000 0.500000 Te\n0.655919 0.660181 0.199042 Te\n0.339819 0.344081 0.300958 Te\n0.344081 0.339819 0.800958 Te\n0.925363 0.600621 0.615949 O\n0.242865 0.933488 0.564800 O\n0.394951 0.775876 0.316094 O\n0.933446 0.926062 0.179047 O\n0.066512 0.757135 0.935200 O\n0.073938 0.066554 0.320953 O\n0.621628 0.547453 0.035939 O\n0.893711 0.249105 0.573082 O\n0.106289 0.750895 0.426918 O\n0.225686 0.281060 0.153538 O\n0.431100 0.762164 0.799632 O\n0.774314 0.718940 0.846462 O\n0.757135 0.066512 0.435200 O\n0.546331 0.907960 0.617654 O\n0.237836 0.568900 0.700368 O\n0.378372 0.452547 0.964061 O\n0.568900 0.237836 0.200368 O\n0.092040 0.453669 0.882346 O\n0.224124 0.605049 0.183906 O\n0.762164 0.431100 0.299632 O\n0.600621 0.925363 0.115949 O\n0.453669 0.092040 0.382346 O\n0.750895 0.106289 0.926918 O\n0.547453 0.621628 0.535939 O\n0.605049 0.224124 0.683906 O\n0.926062 0.933446 0.679047 O\n0.281060 0.225686 0.653538 O\n0.452547 0.378372 0.464061 O\n0.933488 0.242865 0.064800 O\n0.907960 0.546331 0.117654 O\n0.074637 0.399379 0.384051 O\n0.066554 0.073938 0.820953 O\n0.249105 0.893711 0.073082 O\n0.718940 0.774314 0.346462 O\n0.775876 0.394951 0.816094 O\n0.399379 0.074637 0.884051 O\n",
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{
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