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{
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"results": [
{
"id": "mp-1327310",
"created_at": "2022-09-04T14:41:00.216291Z",
"structure_string": "Zn8 Sb16 O32\n1.0\n3.274057 6.426278 0.000000\n-3.274057 6.426278 0.000000\n0.000000 5.085053 21.268202\nZn Sb O\n8 16 32\ndirect\n0.588112 0.588112 0.030984 Zn\n0.135642 0.135642 0.096015 Zn\n0.879550 0.879550 0.293534 Zn\n0.344024 0.344024 0.379283 Zn\n0.584165 0.584165 0.649614 Zn\n0.526813 0.526813 0.512872 Zn\n0.908980 0.908980 0.852314 Zn\n0.725356 0.725356 0.739742 Zn\n0.622429 0.113139 0.119480 Sb\n0.323722 0.323722 0.245925 Sb\n0.113139 0.622429 0.119480 Sb\n0.167778 0.167778 0.531209 Sb\n0.833214 0.346745 0.378184 Sb\n0.629258 0.629258 0.203959 Sb\n0.419673 0.419673 0.801805 Sb\n0.346745 0.833214 0.378184 Sb\n0.124610 0.624127 0.624491 Sb\n0.877920 0.877920 0.462105 Sb\n0.624127 0.124610 0.624491 Sb\n0.926428 0.426189 0.880823 Sb\n0.426189 0.926428 0.880823 Sb\n0.085105 0.085105 0.704254 Sb\n0.983912 0.983912 0.979083 Sb\n0.390542 0.390542 0.963792 Sb\n0.263037 0.802826 0.061376 O\n0.885991 0.885991 0.178370 O\n0.802826 0.263037 0.061376 O\n0.853537 0.853537 0.058679 O\n0.477234 0.477234 0.197076 O\n0.552254 0.117512 0.308096 O\n0.454042 0.912508 0.145099 O\n0.204859 0.204859 0.435426 O\n0.117512 0.552254 0.308096 O\n0.291788 0.291788 0.050646 O\n0.965691 0.965691 0.362469 O\n0.912508 0.454042 0.145099 O\n0.744409 0.328885 0.584242 O\n0.641145 0.641145 0.428227 O\n0.757197 0.212242 0.461763 O\n0.434900 0.434900 0.710486 O\n0.328885 0.744409 0.584242 O\n0.498955 0.498955 0.356908 O\n0.316153 0.316153 0.539396 O\n0.212242 0.757197 0.461763 O\n0.877368 0.877368 0.684089 O\n0.062468 0.578162 0.816555 O\n0.895470 0.446583 0.689556 O\n0.685978 0.685978 0.940241 O\n0.578162 0.062468 0.816555 O\n0.862786 0.862786 0.565913 O\n0.647078 0.647078 0.827458 O\n0.446583 0.895470 0.689556 O\n0.268277 0.268277 0.922364 O\n0.103809 0.715577 0.929630 O\n0.053794 0.053794 0.797173 O\n0.715577 0.103809 0.929630 O\n",
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"formula_full": "Zn8 Sb16 O32",
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"spacegroup": 8
},
{
"id": "mp-1074587",
"created_at": "2022-09-04T14:41:05.493009Z",
"structure_string": "Mg8 Si6\n1.0\n5.382251 0.000000 0.000000\n-1.403975 7.040914 0.000000\n-0.600507 -3.284687 7.207306\nMg Si\n8 6\ndirect\n0.597417 0.513223 0.734591 Mg\n0.084686 0.960934 0.223425 Mg\n0.034712 0.217718 0.658186 Mg\n0.450215 0.383845 0.294824 Mg\n0.432501 0.934089 0.596133 Mg\n0.980156 0.464164 0.076036 Mg\n0.870890 0.758100 0.467427 Mg\n0.561906 0.966639 0.997318 Mg\n0.646308 0.100617 0.374393 Si\n0.538173 0.670760 0.142146 Si\n0.124648 0.633932 0.743287 Si\n0.993866 0.396487 0.407153 Si\n0.421417 0.275786 0.925499 Si\n0.013176 0.973664 0.859492 Si\n",
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"density": 2.206650433118107,
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"volume": 273.12782613602644,
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"formula_full": "Mg8 Si6",
"formula_reduced": "Mg4Si3",
"formula_anonymous": "A3B4",
"energy": -43.6913308,
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"updated_at": "2021-11-28T01:35:22.100000Z",
"spacegroup": 1
},
{
"id": "mp-1112350",
"created_at": "2022-09-04T14:40:59.393598Z",
"structure_string": "Cs3 Sc1 Cl6\n1.0\n0.000000 5.782426 5.782426\n5.782426 0.000000 5.782426\n5.782426 5.782426 0.000000\nCs Sc Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Sc\n0.783504 0.216496 0.216496 Cl\n0.216496 0.216496 0.783504 Cl\n0.216496 0.783504 0.783504 Cl\n0.216496 0.783504 0.216496 Cl\n0.783504 0.216496 0.783504 Cl\n0.783504 0.783504 0.216496 Cl\n",
"nsites": 10,
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"formula_full": "Cs3 Sc1 Cl6",
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{
"id": "mp-1185240",
"created_at": "2022-09-04T14:41:01.605239Z",
"structure_string": "Li1 Y3\n1.0\n4.919707 0.000000 0.000000\n0.000000 4.919707 0.000000\n0.000000 0.000000 4.919707\nLi Y\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Y\n0.500000 0.000000 0.500000 Y\n0.000000 0.500000 0.500000 Y\n",
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"formula_full": "Li1 Y3",
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"updated_at": "2021-11-28T01:35:12.632000Z",
"spacegroup": 221
},
{
"id": "mp-22955",
"created_at": "2022-09-04T14:41:01.609876Z",
"structure_string": "Li2 I2 O6\n1.0\n2.770007 -4.797793 0.000000\n2.770007 4.797793 0.000000\n0.000000 0.000000 5.282965\nLi I O\n2 2 6\ndirect\n0.000000 0.000000 0.077643 Li\n0.000000 0.000000 0.577643 Li\n0.666667 0.333333 0.498527 I\n0.333333 0.666667 0.998527 I\n0.749243 0.659588 0.338177 O\n0.250757 0.340412 0.838177 O\n0.089655 0.749243 0.838177 O\n0.340412 0.089655 0.338177 O\n0.659588 0.910345 0.838177 O\n0.910345 0.250757 0.338177 O\n",
"nsites": 10,
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"elements": [
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"volume": 140.42036648121226,
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"formula_full": "Li2 I2 O6",
"formula_reduced": "LiIO3",
"formula_anonymous": "ABC3",
"energy": -50.32257208,
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"updated_at": "2021-11-28T01:35:23.017000Z",
"spacegroup": 173
},
{
"id": "mp-1264671",
"created_at": "2022-09-04T14:41:00.200938Z",
"structure_string": "Pr4 Y4 Si8 O28\n1.0\n6.430113 -0.046021 -0.275719\n-0.063045 8.989790 0.069903\n-0.570515 0.092424 11.550421\nPr Y Si O\n4 4 8 28\ndirect\n0.754059 0.596455 0.272555 Pr\n0.245941 0.403545 0.727445 Pr\n0.309441 0.831407 0.779864 Pr\n0.690559 0.168593 0.220136 Pr\n0.711118 0.604761 0.614960 Y\n0.288882 0.395238 0.385040 Y\n0.224646 0.891581 0.118460 Y\n0.775354 0.108419 0.881540 Y\n0.479432 0.895628 0.424826 Si\n0.687754 0.826383 0.042521 Si\n0.983891 0.615077 0.939722 Si\n0.312246 0.173617 0.957479 Si\n0.833601 0.322342 0.486446 Si\n0.166399 0.677658 0.513554 Si\n0.520568 0.104372 0.575174 Si\n0.016109 0.384923 0.060278 Si\n0.350386 0.234871 0.559282 O\n0.462838 0.225541 0.857945 O\n0.033039 0.718869 0.621453 O\n0.580448 0.898891 0.921257 O\n0.446960 0.992232 0.306055 O\n0.966961 0.281131 0.378547 O\n0.782580 0.663909 0.005687 O\n0.863628 0.954903 0.084718 O\n0.965701 0.552355 0.810634 O\n0.733425 0.157265 0.518413 O\n0.172287 0.735691 0.962637 O\n0.511350 0.370685 0.249374 O\n0.343109 0.549241 0.547552 O\n0.827713 0.264309 0.037363 O\n0.553040 0.007768 0.693945 O\n0.656891 0.450759 0.452448 O\n0.537162 0.774459 0.142055 O\n0.941130 0.400111 0.603744 O\n0.136372 0.045097 0.915282 O\n0.488650 0.629315 0.750626 O\n0.997856 0.206595 0.768296 O\n0.217420 0.336091 0.994313 O\n0.649614 0.765130 0.440718 O\n0.034299 0.447645 0.189366 O\n0.266575 0.842735 0.481587 O\n0.058870 0.599889 0.396256 O\n0.419552 0.101109 0.078743 O\n0.002144 0.793405 0.231704 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
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"density_atomic": 0.0660471658441319,
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"formula_full": "Pr4 Y4 Si8 O28",
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{
"id": "mp-757047",
"created_at": "2022-09-04T14:41:01.620069Z",
"structure_string": "Li2 Sn2 P8 O24\n1.0\n8.810761 0.000000 0.000000\n0.000000 7.005752 0.000000\n0.000000 0.070033 7.769390\nLi Sn P O\n2 2 8 24\ndirect\n0.624687 0.295638 0.639379 Li\n0.124687 0.704362 0.360621 Li\n0.287993 0.237938 0.227434 Sn\n0.787993 0.762062 0.772566 Sn\n0.100485 0.993299 0.593767 P\n0.818249 0.084819 0.113491 P\n0.992588 0.399963 0.585262 P\n0.626830 0.443490 0.094086 P\n0.126830 0.556510 0.905914 P\n0.492588 0.600037 0.414738 P\n0.318249 0.915181 0.886509 P\n0.600485 0.006701 0.406233 P\n0.181119 0.013861 0.776362 O\n0.791545 0.020098 0.929157 O\n0.206826 0.992234 0.441988 O\n0.965124 0.055900 0.200508 O\n0.992484 0.172699 0.600137 O\n0.499228 0.182481 0.406293 O\n0.774123 0.311557 0.113840 O\n0.484809 0.326606 0.065597 O\n0.039660 0.458706 0.408848 O\n0.155674 0.404068 0.039162 O\n0.125292 0.458243 0.719289 O\n0.837785 0.455043 0.655359 O\n0.337785 0.544957 0.344641 O\n0.625292 0.541757 0.280711 O\n0.655674 0.595932 0.960838 O\n0.539660 0.541294 0.591152 O\n0.984809 0.673394 0.934403 O\n0.274123 0.688443 0.886160 O\n0.999228 0.817519 0.593707 O\n0.492484 0.827301 0.399863 O\n0.465124 0.944100 0.799492 O\n0.706826 0.007766 0.558012 O\n0.291545 0.979902 0.070843 O\n0.681119 0.986139 0.223638 O\n",
"nsites": 36,
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"formula_full": "Li2 Sn2 P8 O24",
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{
"id": "mp-2281",
"created_at": "2022-09-04T14:41:04.096274Z",
"structure_string": "Sm1 Sb1\n1.0\n0.000000 3.162828 3.162828\n3.162828 0.000000 3.162828\n3.162828 3.162828 0.000000\nSm Sb\n1 1\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Sb\n",
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"volume": 63.27857934022698,
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"formula_full": "Sm1 Sb1",
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"spacegroup": 225
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{
"id": "mp-1100467",
"created_at": "2022-09-04T14:41:01.603899Z",
"structure_string": "Mg4 Si8\n1.0\n3.694653 0.000000 0.000000\n0.348778 5.339721 0.000000\n0.679998 0.701438 11.779471\nMg Si\n4 8\ndirect\n0.914710 0.012848 0.037282 Mg\n0.461328 0.822573 0.823156 Mg\n0.562454 0.353705 0.646526 Mg\n0.041353 0.649975 0.410621 Mg\n0.940765 0.515222 0.958898 Si\n0.948827 0.512352 0.163230 Si\n0.134704 0.147974 0.285588 Si\n0.007334 0.748754 0.649583 Si\n0.406235 0.781766 0.192987 Si\n0.471371 0.301225 0.882005 Si\n0.510384 0.914246 0.546817 Si\n0.600455 0.239291 0.403404 Si\n",
"nsites": 12,
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"volume": 232.3903066429811,
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"formula_full": "Mg4 Si8",
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{
"id": "mp-1190252",
"created_at": "2022-09-04T14:41:01.619873Z",
"structure_string": "Cs2 Er4 Ag6 Te10\n1.0\n2.338970 -8.197007 0.000000\n2.338970 8.197007 0.000000\n0.000000 0.000000 18.600269\nCs Er Ag Te\n2 4 6 10\ndirect\n0.557479 0.442521 0.250000 Cs\n0.442521 0.557479 0.750000 Cs\n0.693608 0.306392 0.905266 Er\n0.306392 0.693608 0.094734 Er\n0.693608 0.306392 0.594734 Er\n0.306392 0.693608 0.405266 Er\n0.841589 0.158411 0.250000 Ag\n0.158411 0.841589 0.750000 Ag\n0.081039 0.918961 0.462112 Ag\n0.918961 0.081039 0.537888 Ag\n0.081039 0.918961 0.037888 Ag\n0.918961 0.081039 0.962112 Ag\n0.069301 0.930699 0.883205 Te\n0.930699 0.069301 0.116795 Te\n0.069301 0.930699 0.616795 Te\n0.930699 0.069301 0.383205 Te\n0.681531 0.318469 0.431229 Te\n0.318469 0.681531 0.568771 Te\n0.681531 0.318469 0.068771 Te\n0.318469 0.681531 0.931229 Te\n0.245089 0.754911 0.250000 Te\n0.754911 0.245089 0.750000 Te\n",
"nsites": 22,
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"elements": [
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"Ag",
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{
"id": "mp-695154",
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"structure_string": "Na7 Bi3 P12 Pb10 O48\n1.0\n9.788399 0.000000 0.000000\n-4.827525 8.547163 0.000000\n-0.070056 -0.131200 14.390411\nNa Bi P Pb O\n7 3 12 10 48\ndirect\n0.665571 0.327654 0.497140 Na\n0.665425 0.325996 0.998312 Na\n0.266669 0.261489 0.866283 Na\n0.326044 0.649404 0.258216 Na\n0.338410 0.663159 0.737640 Na\n0.324583 0.650977 0.504287 Na\n0.271916 0.280056 0.388241 Na\n0.645089 0.326040 0.256183 Bi\n0.642956 0.324407 0.755826 Bi\n0.307377 0.632421 0.003650 Bi\n0.608567 0.012897 0.121105 P\n0.619829 0.021036 0.623717 P\n0.402659 0.371564 0.121128 P\n0.397238 0.367813 0.626887 P\n0.011775 0.387267 0.369913 P\n0.020993 0.398187 0.875077 P\n0.965362 0.580973 0.122974 P\n0.968596 0.593200 0.624785 P\n0.594784 0.620932 0.370770 P\n0.582389 0.613242 0.875527 P\n0.372103 0.974036 0.369795 P\n0.370657 0.973680 0.873746 P\n0.734928 0.991978 0.377603 Pb\n0.724897 0.983805 0.867646 Pb\n0.980391 0.239115 0.129344 Pb\n0.002743 0.262511 0.616694 Pb\n0.993500 0.726887 0.867567 Pb\n0.999770 0.733136 0.376346 Pb\n0.248458 0.999436 0.120889 Pb\n0.253858 0.986459 0.616088 Pb\n0.742384 0.737183 0.123724 Pb\n0.727417 0.732708 0.616629 Pb\n0.329152 0.250953 0.041173 O\n0.313534 0.238195 0.551743 O\n0.371722 0.282892 0.215472 O\n0.388991 0.284437 0.722433 O\n0.515837 0.106735 0.128578 O\n0.526660 0.115525 0.621146 O\n0.486107 0.155137 0.367388 O\n0.495698 0.151929 0.874320 O\n0.714986 0.069982 0.034255 O\n0.722032 0.069382 0.207542 O\n0.737699 0.075908 0.541254 O\n0.724222 0.084668 0.713588 O\n0.587420 0.466194 0.113079 O\n0.580435 0.461888 0.608060 O\n0.844705 0.351551 0.876470 O\n0.830338 0.328629 0.365827 O\n0.647786 0.496440 0.870153 O\n0.659485 0.501588 0.366953 O\n0.866895 0.397016 0.123882 O\n0.876510 0.409713 0.614915 O\n0.068486 0.343131 0.280383 O\n0.055050 0.299335 0.806893 O\n0.048995 0.309128 0.452119 O\n0.083255 0.388078 0.975502 O\n0.920659 0.666420 0.543299 O\n0.919338 0.645148 0.037401 O\n0.912152 0.636749 0.210598 O\n0.896111 0.627348 0.714076 O\n0.104076 0.569600 0.383240 O\n0.122533 0.581080 0.855704 O\n0.338266 0.489079 0.120975 O\n0.326552 0.475774 0.630881 O\n0.143866 0.637526 0.124569 O\n0.145302 0.658352 0.629124 O\n0.418667 0.539784 0.385623 O\n0.401416 0.523745 0.887341 O\n0.264200 0.912232 0.282834 O\n0.258173 0.934268 0.453649 O\n0.241662 0.940478 0.799812 O\n0.284938 0.916005 0.968468 O\n0.496710 0.834827 0.120615 O\n0.507894 0.845300 0.620987 O\n0.466852 0.886309 0.381098 O\n0.454052 0.875705 0.854416 O\n0.643579 0.723189 0.281551 O\n0.630385 0.718099 0.788000 O\n0.652623 0.726286 0.960892 O\n0.684651 0.740615 0.451984 O\n",
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}
]
}