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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=68",
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"results": [
{
"id": "mp-1003770",
"created_at": "2022-09-04T14:44:04.213159Z",
"structure_string": "Mg4 Mn8 O16\n1.0\n10.863364 0.000000 0.000000\n0.000000 5.719706 0.000000\n0.000000 2.777793 5.045042\nMg Mn O\n4 8 16\ndirect\n0.113548 0.161244 0.957206 Mg\n0.886452 0.838756 0.042794 Mg\n0.386452 0.161244 0.457206 Mg\n0.613548 0.838756 0.542794 Mg\n0.142891 0.429839 0.405100 Mn\n0.121210 0.878012 0.506047 Mn\n0.878790 0.121988 0.493953 Mn\n0.857109 0.570161 0.594900 Mn\n0.378790 0.878012 0.006047 Mn\n0.357109 0.429839 0.905100 Mn\n0.642891 0.570161 0.094900 Mn\n0.621210 0.121988 0.993953 Mn\n0.208600 0.070795 0.660970 O\n0.191281 0.524637 0.681796 O\n0.808719 0.475363 0.318204 O\n0.791400 0.929205 0.339030 O\n0.308719 0.524637 0.181796 O\n0.291400 0.070795 0.160970 O\n0.708600 0.929205 0.839030 O\n0.691281 0.475363 0.818204 O\n0.054742 0.772078 0.243864 O\n0.052784 0.228585 0.266108 O\n0.947216 0.771415 0.733892 O\n0.945258 0.227922 0.756136 O\n0.552784 0.771415 0.233892 O\n0.554742 0.227922 0.256136 O\n0.445258 0.772078 0.743864 O\n0.447216 0.228585 0.766108 O\n",
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"elements": [
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"Mn",
"O"
],
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"density": 4.199167690406587,
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"volume": 313.4749371066408,
"volume_molar": 6.742107842815494,
"formula_full": "Mg4 Mn8 O16",
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"updated_at": "2021-11-28T01:36:25.829000Z",
"spacegroup": 14
},
{
"id": "mp-1229186",
"created_at": "2022-09-04T14:44:04.364350Z",
"structure_string": "Ca8 Mg16 S24 O96\n1.0\n7.434667 0.000000 0.000000\n0.000000 16.892418 0.000000\n0.000000 8.445486 14.634243\nCa Mg S O\n8 16 24 96\ndirect\n0.033373 0.522044 0.991592 Ca\n0.033412 0.991592 0.486405 Ca\n0.033382 0.486420 0.521957 Ca\n0.533373 0.477956 0.008408 Ca\n0.533412 0.008408 0.513595 Ca\n0.533382 0.513580 0.478043 Ca\n0.529036 0.988858 0.004174 Ca\n0.029036 0.011142 0.995826 Ca\n0.582273 0.333330 0.333332 Mg\n0.082273 0.666670 0.666668 Mg\n0.076695 0.158652 0.172649 Mg\n0.077449 0.173144 0.668008 Mg\n0.077736 0.667505 0.158939 Mg\n0.576695 0.841348 0.827351 Mg\n0.577449 0.826856 0.331992 Mg\n0.577736 0.332495 0.841061 Mg\n0.987830 0.333337 0.333334 Mg\n0.487830 0.666663 0.666666 Mg\n0.482147 0.174781 0.161917 Mg\n0.483123 0.161259 0.664084 Mg\n0.483508 0.664590 0.174554 Mg\n0.982147 0.825219 0.838083 Mg\n0.983123 0.838741 0.335916 Mg\n0.983508 0.335410 0.825446 Mg\n0.777961 0.165228 0.016904 S\n0.781778 0.017123 0.818084 S\n0.783509 0.818189 0.164910 S\n0.277961 0.834772 0.983096 S\n0.281778 0.982877 0.181916 S\n0.283509 0.181811 0.835090 S\n0.785427 0.319489 0.164110 S\n0.785444 0.164120 0.516344 S\n0.785499 0.516321 0.319540 S\n0.285427 0.680511 0.835890 S\n0.285444 0.835880 0.483656 S\n0.285499 0.483679 0.680460 S\n0.273855 0.336136 0.982817 S\n0.274010 0.982867 0.680986 S\n0.274239 0.681032 0.336125 S\n0.773855 0.663864 0.017183 S\n0.774010 0.017133 0.319014 S\n0.774239 0.318968 0.663875 S\n0.787003 0.516848 0.818382 S\n0.786857 0.818429 0.664744 S\n0.786942 0.664779 0.516810 S\n0.287003 0.483152 0.181618 S\n0.286857 0.181571 0.335256 S\n0.286942 0.335221 0.483190 S\n0.782861 0.304527 0.259363 O\n0.782650 0.259370 0.436058 O\n0.782400 0.435990 0.304613 O\n0.282861 0.695473 0.740637 O\n0.282650 0.740630 0.563942 O\n0.282400 0.564010 0.695387 O\n0.813257 0.418562 0.099327 O\n0.813058 0.099319 0.482038 O\n0.812863 0.482026 0.418640 O\n0.313257 0.581438 0.900673 O\n0.313058 0.900681 0.517962 O\n0.312863 0.517974 0.581360 O\n0.245911 0.401487 0.016542 O\n0.246446 0.016667 0.581892 O\n0.246316 0.581956 0.401406 O\n0.745911 0.598513 0.983458 O\n0.746446 0.983333 0.418108 O\n0.746316 0.418044 0.598594 O\n0.613242 0.155428 0.068978 O\n0.613827 0.067827 0.778315 O\n0.612687 0.781408 0.151491 O\n0.113242 0.844572 0.931022 O\n0.113827 0.932173 0.221685 O\n0.112687 0.218592 0.848509 O\n0.789546 0.482351 0.918619 O\n0.789531 0.918674 0.599017 O\n0.789535 0.599016 0.482309 O\n0.289546 0.517649 0.081381 O\n0.289531 0.081326 0.400983 O\n0.289535 0.400984 0.517691 O\n0.769101 0.100163 0.981508 O\n0.780642 0.982095 0.918570 O\n0.786123 0.918776 0.099913 O\n0.269101 0.899837 0.018492 O\n0.280642 0.017905 0.081430 O\n0.286123 0.081224 0.900087 O\n0.272574 0.240979 0.063500 O\n0.273187 0.063554 0.695509 O\n0.273809 0.695546 0.240949 O\n0.772574 0.759021 0.936500 O\n0.773187 0.936446 0.304491 O\n0.773809 0.304454 0.759051 O\n0.624023 0.572073 0.778427 O\n0.623979 0.778451 0.649459 O\n0.624000 0.649506 0.572041 O\n0.124023 0.427927 0.221573 O\n0.123979 0.221549 0.350541 O\n0.124000 0.350494 0.427959 O\n0.132075 0.347425 0.917930 O\n0.131879 0.918154 0.734255 O\n0.132140 0.734465 0.347414 O\n0.632075 0.652575 0.082070 O\n0.631879 0.081846 0.265745 O\n0.632140 0.265535 0.652586 O\n0.455017 0.355342 0.938992 O\n0.455080 0.938865 0.705918 O\n0.455298 0.705802 0.355350 O\n0.955017 0.644658 0.061008 O\n0.955080 0.061135 0.294082 O\n0.955298 0.294198 0.644650 O\n0.787413 0.260445 0.936431 O\n0.788456 0.936343 0.803723 O\n0.788116 0.803117 0.260305 O\n0.287413 0.739555 0.063569 O\n0.288456 0.063657 0.196277 O\n0.288116 0.196883 0.739695 O\n0.783370 0.435753 0.804296 O\n0.782876 0.804406 0.759884 O\n0.783196 0.759934 0.435718 O\n0.283370 0.564247 0.195704 O\n0.282876 0.195594 0.240116 O\n0.283196 0.240066 0.564282 O\n0.941996 0.144208 0.073591 O\n0.942688 0.075095 0.779655 O\n0.941559 0.777219 0.147102 O\n0.441996 0.855792 0.926409 O\n0.442688 0.924905 0.220345 O\n0.441559 0.222781 0.852898 O\n0.929313 0.265308 0.155391 O\n0.929562 0.155471 0.579036 O\n0.929929 0.578747 0.265631 O\n0.429313 0.734692 0.844609 O\n0.429562 0.844529 0.420964 O\n0.429929 0.421253 0.734369 O\n0.606327 0.295594 0.141475 O\n0.606514 0.141395 0.563107 O\n0.606777 0.563372 0.295329 O\n0.106327 0.704406 0.858525 O\n0.106514 0.858605 0.436893 O\n0.106777 0.436628 0.704671 O\n0.952983 0.570046 0.779212 O\n0.952934 0.779232 0.650810 O\n0.952951 0.650785 0.569982 O\n0.452983 0.429954 0.220788 O\n0.452934 0.220768 0.349190 O\n0.452951 0.349215 0.430018 O\n",
"nsites": 144,
"nelements": 4,
"elements": [
"Ca",
"Mg",
"S",
"O"
],
"chemical_system": "Ca-Mg-O-S",
"density": 2.7240415841309167,
"density_atomic": 0.07834997988864738,
"volume": 1837.907300099576,
"volume_molar": 7.686205878493896,
"formula_full": "Ca8 Mg16 S24 O96",
"formula_reduced": "CaMg2(SO4)3",
"formula_anonymous": "AB2C3D12",
"energy": -974.32538608,
"energy_per_atom": -6.766148514444445,
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"updated_at": "2021-11-28T01:36:23.402000Z",
"spacegroup": 4
},
{
"id": "mp-1224749",
"created_at": "2022-09-04T14:44:04.498296Z",
"structure_string": "La18 In10 S42\n1.0\n8.169851 -8.914720 0.000000\n8.169851 8.914720 0.000000\n-1.557650 0.000000 11.991347\nLa In S\n18 10 42\ndirect\n0.438318 0.211645 0.583241 La\n0.110200 0.878888 0.258524 La\n0.775987 0.547824 0.921464 La\n0.547824 0.921464 0.775987 La\n0.211645 0.583241 0.438318 La\n0.878888 0.258524 0.110200 La\n0.258524 0.110200 0.878888 La\n0.921464 0.775987 0.547824 La\n0.583241 0.438318 0.211645 La\n0.220536 0.449521 0.076110 La\n0.883854 0.110386 0.738275 La\n0.555023 0.785916 0.406579 La\n0.110386 0.738275 0.883854 La\n0.785916 0.406579 0.555023 La\n0.449521 0.076110 0.220536 La\n0.406579 0.555023 0.785916 La\n0.076110 0.220536 0.449521 La\n0.738275 0.883854 0.110386 La\n0.889571 0.555985 0.222345 In\n0.555985 0.222345 0.889571 In\n0.222345 0.889571 0.555985 In\n0.389746 0.722854 0.055371 In\n0.055371 0.389746 0.722854 In\n0.722854 0.055371 0.389746 In\n0.000697 0.000697 0.000697 In\n0.689012 0.689012 0.689012 In\n0.188969 0.188969 0.188969 In\n0.500715 0.500715 0.500715 In\n0.951292 0.804507 0.054772 S\n0.614356 0.474286 0.709669 S\n0.275969 0.125989 0.375523 S\n0.125989 0.375523 0.275969 S\n0.804507 0.054772 0.951292 S\n0.474286 0.709669 0.614356 S\n0.709669 0.614356 0.474286 S\n0.375523 0.275969 0.125989 S\n0.054772 0.951292 0.804507 S\n0.422563 0.569004 0.318907 S\n0.084708 0.224626 0.989130 S\n0.742183 0.892371 0.642757 S\n0.224626 0.989130 0.084708 S\n0.892371 0.642757 0.742183 S\n0.569004 0.318907 0.422563 S\n0.642757 0.742183 0.892371 S\n0.318907 0.422563 0.569004 S\n0.989130 0.084708 0.224626 S\n0.809937 0.386179 0.300229 S\n0.482298 0.048847 0.966602 S\n0.146465 0.717104 0.632888 S\n0.717104 0.632888 0.146465 S\n0.386179 0.300229 0.809937 S\n0.048847 0.966602 0.482298 S\n0.966602 0.482298 0.048847 S\n0.632888 0.146465 0.717104 S\n0.300229 0.809937 0.386179 S\n0.347846 0.781421 0.865075 S\n0.021337 0.445919 0.529984 S\n0.685443 0.114334 0.199038 S\n0.445919 0.529984 0.021337 S\n0.114334 0.199038 0.685443 S\n0.781421 0.865075 0.347846 S\n0.199038 0.685443 0.114334 S\n0.865075 0.347846 0.781421 S\n0.529984 0.021337 0.445919 S\n0.682324 0.352477 0.016529 S\n0.352477 0.016529 0.682324 S\n0.016529 0.682324 0.352477 S\n0.516869 0.852222 0.182266 S\n0.182266 0.516869 0.852222 S\n0.852222 0.182266 0.516869 S\n",
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],
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"volume": 1746.705989109629,
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"formula_full": "La18 In10 S42",
"formula_reduced": "La9In5S21",
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"updated_at": "2021-11-28T01:36:28.508000Z",
"spacegroup": 146
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{
"id": "mp-1041130",
"created_at": "2022-09-04T14:44:04.636745Z",
"structure_string": "Ho2 V4 Zn2 O12\n1.0\n5.441168 0.000000 0.000000\n0.000000 5.267807 0.000000\n0.000000 5.216480 7.624135\nHo V Zn O\n2 4 2 12\ndirect\n0.181089 0.733475 0.251084 Ho\n0.818911 0.733475 0.751084 Ho\n0.737804 0.002138 0.997420 V\n0.731588 0.499929 0.501514 V\n0.262196 0.002138 0.497420 V\n0.268412 0.499929 0.001514 V\n0.732932 0.253163 0.249829 Zn\n0.267068 0.253163 0.749829 Zn\n0.697288 0.140537 0.748104 O\n0.443066 0.745798 0.063111 O\n0.455970 0.382015 0.440587 O\n0.952606 0.616070 0.059415 O\n0.942596 0.250464 0.438017 O\n0.211947 0.876426 0.750931 O\n0.302712 0.140537 0.248104 O\n0.556934 0.745798 0.563111 O\n0.544030 0.382015 0.940587 O\n0.057404 0.250464 0.938017 O\n0.047394 0.616070 0.559415 O\n0.788053 0.876426 0.250931 O\n",
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{
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"structure_string": "Pb8 O12\n1.0\n5.762389 0.000000 0.000000\n0.000000 7.699505 0.000000\n0.000000 3.104441 7.345207\nPb O\n8 12\ndirect\n0.754463 0.087672 0.883623 Pb\n0.254463 0.912328 0.616377 Pb\n0.245537 0.912328 0.116377 Pb\n0.745537 0.087672 0.383623 Pb\n0.744320 0.612471 0.849817 Pb\n0.244320 0.387529 0.650183 Pb\n0.255680 0.387529 0.150183 Pb\n0.755680 0.612471 0.349817 Pb\n0.630357 0.369442 0.735684 O\n0.130357 0.630558 0.764316 O\n0.369643 0.630558 0.264316 O\n0.869643 0.369442 0.235684 O\n0.908903 0.809095 0.051229 O\n0.408903 0.190905 0.448771 O\n0.091097 0.190905 0.948771 O\n0.591097 0.809095 0.551229 O\n0.433123 0.932836 0.860311 O\n0.933123 0.067164 0.639689 O\n0.566877 0.067164 0.139689 O\n0.066877 0.932836 0.360311 O\n",
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{
"id": "mp-622107",
"created_at": "2022-09-04T14:44:04.246539Z",
"structure_string": "Ce1 Cd2\n1.0\n2.797872 -4.846056 0.000000\n2.797872 4.846056 0.000000\n0.000000 0.000000 3.086233\nCe Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.333333 0.666667 0.055816 Cd\n0.666667 0.333333 0.944184 Cd\n",
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{
"id": "mp-2121",
"created_at": "2022-09-04T14:44:04.255833Z",
"structure_string": "Sc1 Al3\n1.0\n4.107277 0.000000 0.000000\n0.000000 4.107277 0.000000\n0.000000 0.000000 4.107277\nSc Al\n1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n",
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