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{
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{
"id": "mp-753374",
"created_at": "2022-09-04T14:47:14.726326Z",
"structure_string": "Li4 V4 Si4 O16\n1.0\n0.000001 0.000003 4.906992\n9.158409 0.000085 0.000001\n0.000033 6.311082 0.000003\nLi V Si O\n4 4 4 16\ndirect\n0.477858 0.166351 0.750020 Li\n0.977856 0.333657 0.249987 Li\n0.022142 0.666348 0.750021 Li\n0.522141 0.833652 0.249986 Li\n0.000061 0.000029 0.499919 V\n0.499915 0.500006 0.499920 V\n0.999915 0.000010 0.000055 V\n0.500128 0.499902 0.000041 V\n0.476769 0.178160 0.249917 Si\n0.976766 0.321849 0.750084 Si\n0.023233 0.678154 0.249916 Si\n0.523230 0.821842 0.750088 Si\n0.802313 0.124677 0.249977 O\n0.302314 0.375327 0.750028 O\n0.697683 0.624676 0.249977 O\n0.197686 0.875331 0.750028 O\n0.909123 0.141648 0.749975 O\n0.409129 0.358350 0.250028 O\n0.590867 0.641651 0.749976 O\n0.090876 0.858357 0.250028 O\n0.329213 0.118602 0.035078 O\n0.329190 0.118570 0.464920 O\n0.829228 0.381401 0.964923 O\n0.829199 0.381437 0.535094 O\n0.170777 0.618599 0.035087 O\n0.170796 0.618570 0.464911 O\n0.670810 0.881436 0.535087 O\n0.670783 0.881404 0.964930 O\n",
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],
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},
{
"id": "mp-1030710",
"created_at": "2022-09-04T14:47:13.608625Z",
"structure_string": "Na1 Mg6 W1 O8\n1.0\n8.825415 0.000000 0.000000\n-0.000000 4.347226 0.000000\n0.000000 0.000000 4.347226\nNa Mg W O\n1 6 1 8\ndirect\n-0.000000 0.000000 0.000000 Na\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.231535 0.000000 0.500000 Mg\n0.768465 -0.000000 0.500000 Mg\n0.231535 0.500000 0.000000 Mg\n0.768465 0.500000 -0.000000 Mg\n0.500000 0.000000 0.000000 W\n0.258432 0.000000 0.000000 O\n0.741568 -0.000000 -0.000000 O\n0.254785 0.500000 0.500000 O\n0.745215 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"elements": [
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"W",
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],
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"density": 4.785451957471222,
"density_atomic": 0.09593131752279584,
"volume": 166.78599244921216,
"volume_molar": 6.27755452078408,
"formula_full": "Na1 Mg6 W1 O8",
"formula_reduced": "NaMg6WO8",
"formula_anonymous": "ABC6D8",
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"spacegroup": 123
},
{
"id": "mp-775270",
"created_at": "2022-09-04T14:47:08.343811Z",
"structure_string": "Mn2 Co2 P4 O16\n1.0\n5.921744 0.000000 0.000000\n0.000000 4.836423 0.000000\n0.000000 0.218153 9.903500\nMn Co P O\n2 2 4 16\ndirect\n0.250000 0.563777 0.784273 Mn\n0.750000 0.436223 0.215727 Mn\n0.750000 0.054732 0.718655 Co\n0.250000 0.945268 0.281345 Co\n0.750000 0.582589 0.901949 P\n0.250000 0.087347 0.598075 P\n0.750000 0.912653 0.401925 P\n0.250000 0.417411 0.098051 P\n0.250000 0.348033 0.947016 O\n0.750000 0.270365 0.884102 O\n0.950094 0.736728 0.828577 O\n0.549906 0.736728 0.828577 O\n0.043905 0.224787 0.672194 O\n0.456095 0.224787 0.672194 O\n0.250000 0.770511 0.618967 O\n0.750000 0.840656 0.552573 O\n0.250000 0.159344 0.447427 O\n0.750000 0.229489 0.381033 O\n0.956095 0.775213 0.327806 O\n0.543905 0.775213 0.327806 O\n0.450094 0.263272 0.171423 O\n0.049906 0.263272 0.171423 O\n0.250000 0.729635 0.115898 O\n0.750000 0.651967 0.052984 O\n",
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],
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"formula_full": "Mn2 Co2 P4 O16",
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"spacegroup": 11
},
{
"id": "mp-1076377",
"created_at": "2022-09-04T14:47:14.712468Z",
"structure_string": "Ba1 Sr7 Ti7 Mn1 O24\n1.0\n5.579977 -5.581596 0.000000\n5.579977 5.581596 0.000000\n-0.003239 0.000000 7.892424\nBa Sr Ti Mn O\n1 7 7 1 24\ndirect\n0.248649 0.248649 0.248649 Ba\n0.248588 0.248588 0.751307 Sr\n0.751423 0.248566 0.751423 Sr\n0.751307 0.248588 0.248588 Sr\n0.248566 0.751423 0.751423 Sr\n0.751456 0.751456 0.751456 Sr\n0.248588 0.751307 0.248588 Sr\n0.751423 0.751423 0.248566 Sr\n0.501753 0.998726 0.998726 Ti\n0.998726 0.998726 0.501753 Ti\n0.501280 0.998707 0.501280 Ti\n0.998726 0.501753 0.998726 Ti\n0.501280 0.501280 0.998707 Ti\n0.998707 0.501280 0.501280 Ti\n0.501267 0.501267 0.501267 Ti\n0.998936 0.998936 0.998936 Mn\n0.995774 0.247079 0.995774 O\n0.503801 0.249568 0.996191 O\n0.996191 0.249568 0.503801 O\n0.503799 0.249494 0.503799 O\n0.999318 0.753100 0.999318 O\n0.500813 0.750325 0.999142 O\n0.999142 0.750325 0.500813 O\n0.500839 0.750510 0.500839 O\n0.999318 0.999318 0.753100 O\n0.500813 0.999142 0.750325 O\n0.995774 0.995774 0.247079 O\n0.503801 0.996191 0.249568 O\n0.999142 0.500813 0.750325 O\n0.500839 0.500839 0.750510 O\n0.996191 0.503801 0.249568 O\n0.503799 0.503799 0.249494 O\n0.247079 0.995774 0.995774 O\n0.753100 0.999318 0.999318 O\n0.249568 0.996191 0.503801 O\n0.750325 0.999142 0.500813 O\n0.249568 0.503801 0.996191 O\n0.750325 0.500813 0.999142 O\n0.249494 0.503799 0.503799 O\n0.750510 0.500839 0.500839 O\n",
"nsites": 40,
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"elements": [
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"Mn",
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"chemical_system": "Ba-Mn-O-Sr-Ti",
"density": 5.149805077868936,
"density_atomic": 0.08136334211484131,
"volume": 491.62188966551423,
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"formula_full": "Ba1 Sr7 Ti7 Mn1 O24",
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"formula_anonymous": "ABC7D7E24",
"energy": -333.24960559,
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"updated_at": "2021-11-28T01:38:03.035000Z",
"spacegroup": 160
},
{
"id": "mp-1221435",
"created_at": "2022-09-04T14:47:08.358336Z",
"structure_string": "Pr20 Mo45 O90\n1.0\n-5.900779 -10.387170 -0.003821\n11.801558 -0.000000 0.000000\n0.000000 -6.918622 17.167375\nPr Mo O\n20 45 90\ndirect\n0.029475 0.848022 0.135037 Pr\n0.688177 0.844088 0.136044 Pr\n0.029475 0.181453 0.135037 Pr\n0.950501 0.475251 0.222361 Pr\n0.301747 0.825895 0.222484 Pr\n0.301747 0.475851 0.222484 Pr\n0.430891 0.715446 0.850128 Pr\n0.291896 0.145948 0.226384 Pr\n0.623829 0.479387 0.228955 Pr\n0.623829 0.144442 0.228955 Pr\n0.893881 0.446941 0.665708 Pr\n0.648294 0.490307 0.847348 Pr\n0.994305 0.497152 0.844510 Pr\n0.648294 0.157987 0.847348 Pr\n0.327743 0.663871 0.676093 Pr\n0.667381 0.001967 0.670614 Pr\n0.667381 0.665414 0.670614 Pr\n0.601482 0.300741 0.418393 Pr\n0.277237 0.973339 0.418084 Pr\n0.277237 0.303898 0.418084 Pr\n0.239839 0.370552 0.891197 Mo\n0.239839 0.869287 0.891197 Mo\n0.740235 0.870117 0.891025 Mo\n0.592747 0.296374 0.619529 Mo\n0.083657 0.788801 0.618916 Mo\n0.083657 0.294856 0.618916 Mo\n0.237438 0.118719 0.893533 Mo\n0.986218 0.867051 0.895295 Mo\n0.986218 0.119167 0.895295 Mo\n0.092527 0.046263 0.614473 Mo\n0.342576 0.305008 0.611670 Mo\n0.342576 0.037568 0.611670 Mo\n0.931615 0.854531 0.475900 Mo\n0.444238 0.597155 0.473573 Mo\n0.674445 0.082070 0.473965 Mo\n0.674445 0.592375 0.473965 Mo\n0.444238 0.847083 0.473573 Mo\n0.931615 0.077084 0.475900 Mo\n0.941067 0.212971 0.329949 Mo\n0.941067 0.728096 0.329949 Mo\n0.459453 0.729727 0.329499 Mo\n0.411565 0.079417 0.753768 Mo\n0.911835 0.830817 0.755872 Mo\n0.163574 0.331889 0.755151 Mo\n0.163574 0.831685 0.755151 Mo\n0.911835 0.081018 0.755872 Mo\n0.411565 0.332148 0.753768 Mo\n0.382866 0.079557 0.037002 Mo\n0.652696 0.579641 0.038409 Mo\n0.885766 0.305238 0.038422 Mo\n0.885766 0.580528 0.038422 Mo\n0.652696 0.073055 0.038409 Mo\n0.382866 0.303309 0.037002 Mo\n0.929084 0.586310 0.479949 Mo\n0.190968 0.595484 0.480798 Mo\n0.929084 0.342774 0.479949 Mo\n0.681394 0.840697 0.479226 Mo\n0.396262 0.821282 0.033654 Mo\n0.396262 0.574980 0.033654 Mo\n0.137185 0.568593 0.032699 Mo\n0.155908 0.077954 0.755843 Mo\n0.946204 0.973102 0.331428 Mo\n0.693549 0.721463 0.333190 Mo\n0.693549 0.972086 0.333190 Mo\n0.639055 0.319528 0.037087 Mo\n0.209693 0.490070 0.816592 O\n0.460950 0.973312 0.817469 O\n0.696277 0.718459 0.817946 O\n0.696277 0.977818 0.817946 O\n0.460950 0.487638 0.817469 O\n0.209693 0.719623 0.816592 O\n0.820069 0.910035 0.267932 O\n0.948889 0.230378 0.825553 O\n0.455660 0.227830 0.824631 O\n0.948889 0.718512 0.825553 O\n0.310586 0.155293 0.542377 O\n0.524762 0.018672 0.973184 O\n0.524762 0.506090 0.973184 O\n0.000357 0.500178 0.971474 O\n0.586119 0.920989 0.255053 O\n0.077985 0.159118 0.254812 O\n0.824263 0.668160 0.255572 O\n0.824263 0.156103 0.255572 O\n0.077985 0.918867 0.254812 O\n0.586119 0.665130 0.255053 O\n0.369311 0.019194 0.277385 O\n0.369311 0.350117 0.277385 O\n0.704240 0.352120 0.277385 O\n0.922308 0.961154 0.118674 O\n0.526836 0.763418 0.713609 O\n0.515495 0.885138 0.106632 O\n0.267974 0.383990 0.105326 O\n0.001183 0.627676 0.107390 O\n0.001183 0.373507 0.107390 O\n0.267974 0.883984 0.105326 O\n0.515495 0.630357 0.106632 O\n0.867349 0.189634 0.691199 O\n0.628259 0.441714 0.693377 O\n0.117201 0.675723 0.693438 O\n0.117201 0.441478 0.693438 O\n0.628259 0.186545 0.693377 O\n0.867349 0.677715 0.691199 O\n0.063460 0.531730 0.415415 O\n0.776318 0.262613 0.960443 O\n0.533695 0.266848 0.954957 O\n0.776318 0.513705 0.960443 O\n0.299584 0.401609 0.539117 O\n0.555963 0.159823 0.539067 O\n0.066231 0.905738 0.538135 O\n0.066231 0.160493 0.538135 O\n0.555963 0.396141 0.539067 O\n0.299584 0.897976 0.539117 O\n0.411029 0.205515 0.383145 O\n0.506793 0.129912 0.114618 O\n0.506793 0.376881 0.114618 O\n0.752978 0.376489 0.113263 O\n0.028955 0.014478 0.959905 O\n0.810421 0.275081 0.405366 O\n0.053374 0.778542 0.408144 O\n0.322152 0.534790 0.402743 O\n0.322152 0.787362 0.402743 O\n0.053374 0.274832 0.408144 O\n0.810421 0.535340 0.405366 O\n0.776645 0.008317 0.967512 O\n0.266824 0.256376 0.965606 O\n0.025475 0.767605 0.966954 O\n0.025475 0.257870 0.966954 O\n0.266824 0.010447 0.965606 O\n0.776645 0.768328 0.967512 O\n0.260505 0.630253 0.103377 O\n0.381335 0.928823 0.684907 O\n0.873132 0.936566 0.683349 O\n0.381335 0.452512 0.684907 O\n0.555673 0.041865 0.397379 O\n0.086636 0.043318 0.396541 O\n0.555673 0.513807 0.397379 O\n0.798749 0.399375 0.801150 O\n0.231045 0.115523 0.113650 O\n0.764565 0.646287 0.112169 O\n0.764565 0.118277 0.112169 O\n0.788376 0.894188 0.558839 O\n0.554290 0.655574 0.554180 O\n0.554290 0.898717 0.554180 O\n0.350180 0.675090 0.257226 O\n0.068226 0.391773 0.256172 O\n0.068226 0.676452 0.256172 O\n0.520527 0.760263 0.955204 O\n0.283801 0.524430 0.958129 O\n0.283801 0.759371 0.958129 O\n0.806524 0.403262 0.558414 O\n0.040226 0.636212 0.554956 O\n0.040226 0.404014 0.554956 O\n0.321865 0.660932 0.547998 O\n0.799647 0.143795 0.542502 O\n0.799647 0.655852 0.542502 O\n",
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"volume": 2104.7710323111723,
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"formula_full": "Pr20 Mo45 O90",
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"spacegroup": 8
},
{
"id": "mp-1207334",
"created_at": "2022-09-04T14:47:08.364643Z",
"structure_string": "Hf2 Cu1 Si3\n1.0\n8.406066 0.000000 0.000000\n0.000000 8.406066 0.000000\n0.000000 0.000000 35.102160\nHf Cu Si\n2 1 3\ndirect\n0.500000 0.500000 0.243146 Hf\n0.500000 0.500000 0.756854 Hf\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.690977 Si\n0.500000 0.500000 0.309023 Si\n0.500000 0.500000 0.000000 Si\n",
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{
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{
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{
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}