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{
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"structure_string": "Ba4 Sr4 Sm4 Se4 O24\n1.0\n8.430953 0.000000 0.000000\n0.000000 8.423840 0.000000\n0.000000 0.000000 8.413527\nBa Sr Sm Se O\n4 4 4 4 24\ndirect\n-0.000000 -0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 -0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n-0.000000 0.500000 0.500000 Sr\n0.500000 -0.000000 -0.000000 Sr\n-0.000000 0.500000 -0.000000 Sr\n-0.000000 -0.000000 0.500000 Sr\n0.248350 0.250296 0.249296 Sm\n0.751650 0.749704 0.249296 Sm\n0.751650 0.250296 0.750704 Sm\n0.248350 0.749704 0.750704 Sm\n0.755825 0.751533 0.747449 Se\n0.244175 0.248467 0.747449 Se\n0.244175 0.751533 0.252551 Se\n0.755825 0.248467 0.252551 Se\n0.980308 0.221280 0.275366 O\n0.019692 0.778720 0.275366 O\n0.019692 0.221280 0.724634 O\n0.980308 0.778720 0.724634 O\n0.271759 0.980988 0.222640 O\n0.271759 0.019012 0.777360 O\n0.728241 0.019012 0.222640 O\n0.728241 0.980988 0.777360 O\n0.220977 0.276539 0.982288 O\n0.779023 0.276539 0.017712 O\n0.220977 0.723461 0.017712 O\n0.779023 0.723461 0.982288 O\n0.517282 0.268855 0.234373 O\n0.482718 0.731145 0.234373 O\n0.482718 0.268855 0.765627 O\n0.517282 0.731145 0.765627 O\n0.220472 0.518904 0.275673 O\n0.220472 0.481096 0.724327 O\n0.779528 0.481096 0.275673 O\n0.779528 0.518904 0.724327 O\n0.262195 0.227830 0.519847 O\n0.737805 0.227830 0.480153 O\n0.262195 0.772169 0.480153 O\n0.737805 0.772169 0.519847 O\n",
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{
"id": "mp-1183008",
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"structure_string": "Al4 Si4 H8 O18\n1.0\n3.882908 2.696075 -2.517409\n-3.882908 2.696075 2.517409\n-0.284251 0.000000 22.807234\nAl Si H O\n4 4 8 18\ndirect\n0.751352 0.478626 0.708502 Al\n0.521374 0.248648 0.208502 Al\n0.101358 0.196289 0.702739 Al\n0.803711 0.898642 0.202739 Al\n0.794564 0.392179 0.525871 Si\n0.607821 0.205436 0.025871 Si\n0.458339 0.746583 0.522859 Si\n0.253417 0.541661 0.022859 Si\n0.689412 0.910877 0.612995 H\n0.089123 0.310588 0.112995 H\n0.604054 0.948924 0.879029 H\n0.051076 0.395946 0.379029 H\n0.743575 0.914359 0.890762 H\n0.085641 0.256425 0.390762 H\n0.599450 0.685124 0.786816 H\n0.314876 0.400550 0.286816 H\n0.579962 0.116933 0.490317 O\n0.883067 0.420038 0.990317 O\n0.089965 0.602989 0.498176 O\n0.397011 0.910035 0.998176 O\n0.598095 0.598967 0.503296 O\n0.401033 0.401905 0.003296 O\n0.887622 0.224903 0.610565 O\n0.775097 0.112378 0.110565 O\n0.586577 0.689129 0.610189 O\n0.310871 0.413423 0.110189 O\n0.811951 0.701135 0.800673 O\n0.298865 0.188049 0.300673 O\n0.833380 0.807175 0.730162 O\n0.192825 0.166620 0.230162 O\n0.448819 0.177378 0.728274 O\n0.822622 0.551181 0.228274 O\n0.081343 0.453248 0.722975 O\n0.546752 0.918657 0.222975 O\n",
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"formula_full": "Al4 Si4 H8 O18",
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},
{
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"created_at": "2022-09-04T14:43:55.559095Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n2.868039 0.000000 0.000000\n0.000000 5.832411 0.000000\n0.000000 2.801219 13.028455\nLi Mn Co O\n7 4 1 12\ndirect\n0.500000 0.833357 0.832910 Li\n0.500000 0.499010 0.504623 Li\n0.500000 0.168174 0.162138 Li\n0.000000 0.166576 0.673999 Li\n0.000000 0.834028 0.335562 Li\n0.000000 0.499734 0.990254 Li\n0.500000 0.334900 0.832196 Li\n0.000000 0.012213 0.986197 Mn\n0.000000 0.658051 0.677237 Mn\n0.000000 0.328794 0.336617 Mn\n0.500000 0.669899 0.161931 Mn\n0.500000 0.995145 0.506792 Co\n0.500000 0.778448 0.995356 O\n0.500000 0.442941 0.663688 O\n0.500000 0.099763 0.333288 O\n0.000000 0.078658 0.848361 O\n0.000000 0.768791 0.510508 O\n0.000000 0.441177 0.162824 O\n0.500000 0.891853 0.667810 O\n0.500000 0.560202 0.338506 O\n0.500000 0.226351 0.000560 O\n0.000000 0.217920 0.505052 O\n0.000000 0.902591 0.158302 O\n0.000000 0.591423 0.815288 O\n",
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"formula_full": "Li7 Mn4 Co1 O12",
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{
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"created_at": "2022-09-04T14:43:53.381180Z",
"structure_string": "Ta1 N1 F6\n1.0\n4.899081 0.000000 0.000000\n1.174924 5.043074 0.000000\n0.874361 1.731344 4.818942\nTa N F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.000000 0.000000 N\n0.315634 0.687094 0.149748 F\n0.986903 0.781504 0.777569 F\n0.284320 0.159170 0.693212 F\n0.684366 0.312906 0.850252 F\n0.013097 0.218496 0.222431 F\n0.715680 0.840830 0.306788 F\n",
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"formula_full": "Ta1 N1 F6",
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{
"id": "mp-661279",
"created_at": "2022-09-04T14:43:52.341999Z",
"structure_string": "Li2 Nb6 In2 Cl18\n1.0\n9.403611 0.000000 0.000000\n-1.121044 9.393909 0.000000\n-2.432137 -4.950952 7.699227\nLi Nb In Cl\n2 6 2 18\ndirect\n0.617971 0.859315 0.188707 Li\n0.382029 0.140685 0.811293 Li\n0.139468 0.324714 0.246663 Nb\n0.860532 0.675286 0.753337 Nb\n0.132251 0.452844 0.892413 Nb\n0.857814 0.320738 0.978797 Nb\n0.867749 0.547156 0.107587 Nb\n0.142186 0.679262 0.021203 Nb\n0.343021 0.783714 0.484317 In\n0.656979 0.216286 0.515683 In\n0.002741 0.917798 0.734319 Cl\n0.679891 0.764079 0.834092 Cl\n0.332586 0.905470 0.057087 Cl\n0.987794 0.232289 0.849461 Cl\n0.008175 0.346907 0.416082 Cl\n0.670032 0.897524 0.439177 Cl\n0.322236 0.655054 0.900323 Cl\n0.320109 0.235921 0.165908 Cl\n0.299891 0.402416 0.752115 Cl\n0.997259 0.082202 0.265681 Cl\n0.677764 0.344946 0.099677 Cl\n0.669210 0.494852 0.681695 Cl\n0.700109 0.597584 0.247885 Cl\n0.012206 0.767711 0.150539 Cl\n0.991825 0.653093 0.583918 Cl\n0.329968 0.102476 0.560823 Cl\n0.667414 0.094530 0.942913 Cl\n0.330790 0.505148 0.318305 Cl\n",
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{
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"structure_string": "Zr10 Al3 Sb3\n1.0\n-0.000005 -0.000009 -5.735045\n-8.416055 -0.001291 -0.000008\n-4.206910 7.289163 0.000008\nZr Al Sb\n10 3 3\ndirect\n0.506119 0.333354 0.333316 Zr\n0.506119 0.666684 0.666646 Zr\n0.993881 0.666695 0.666636 Zr\n0.993881 0.333364 0.333305 Zr\n0.749996 0.249641 0.750359 Zr\n0.750004 0.750425 0.000008 Zr\n0.750004 0.999992 0.249575 Zr\n0.249996 0.750580 0.249420 Zr\n0.250002 0.249381 0.000004 Zr\n0.250002 0.999996 0.750619 Zr\n0.749993 0.610883 0.389117 Al\n0.750003 0.389113 0.999993 Al\n0.750003 0.000007 0.610887 Al\n0.249993 0.392988 0.607012 Sb\n0.250003 0.606908 0.000008 Sb\n0.250003 0.999992 0.393092 Sb\n",
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"formula_full": "Zr10 Al3 Sb3",
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{
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"structure_string": "Li4 Mn4 F16\n1.0\n5.021667 0.000000 0.000000\n0.000000 5.832786 0.000000\n0.000000 0.000000 10.879526\nLi Mn F\n4 4 16\ndirect\n0.423056 0.250000 0.080477 Li\n0.923056 0.750000 0.419523 Li\n0.076944 0.250000 0.580477 Li\n0.576944 0.750000 0.919523 Li\n0.464556 0.750000 0.240479 Mn\n0.964556 0.250000 0.259521 Mn\n0.035444 0.750000 0.740479 Mn\n0.535444 0.250000 0.759521 Mn\n0.625307 0.750000 0.088991 F\n0.793458 0.250000 0.111840 F\n0.246503 0.024134 0.186351 F\n0.246503 0.475866 0.186351 F\n0.746503 0.524134 0.313649 F\n0.746503 0.975866 0.313649 F\n0.293458 0.750000 0.388160 F\n0.125307 0.250000 0.411009 F\n0.874693 0.750000 0.588991 F\n0.706542 0.250000 0.611840 F\n0.253497 0.024134 0.686351 F\n0.253497 0.475866 0.686351 F\n0.753497 0.524134 0.813649 F\n0.753497 0.975866 0.813649 F\n0.206542 0.750000 0.888160 F\n0.374693 0.250000 0.911009 F\n",
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"formula_full": "Li4 Mn4 F16",
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{
"id": "mp-1225641",
"created_at": "2022-09-04T14:43:58.566842Z",
"structure_string": "Er1 Al7 Fe5\n1.0\n-2.508446 4.317875 4.326593\n2.508446 -4.317875 4.326593\n2.508446 4.317875 -4.326593\nEr Al Fe\n1 7 5\ndirect\n0.004560 0.000000 0.004560 Er\n0.660291 0.000000 0.660291 Al\n0.338694 0.000000 0.338694 Al\n0.333900 0.342342 0.991558 Al\n0.649216 0.657658 0.991558 Al\n0.774609 0.500000 0.274609 Al\n0.794677 0.289938 0.504739 Al\n0.214801 0.710062 0.504739 Al\n0.499301 0.497775 0.495645 Fe\n0.499301 0.003656 0.001526 Fe\n0.997870 0.996344 0.495645 Fe\n0.997870 0.502225 0.001526 Fe\n0.234909 0.500000 0.734909 Fe\n",
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{
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"structure_string": "Mn6 Fe4 N8\n1.0\n6.163342 0.849238 -0.128855\n-3.857323 4.929193 0.000000\n-0.197563 -0.154602 5.231982\nMn Fe N\n6 4 8\ndirect\n0.360575 0.086121 0.944001 Mn\n0.639425 0.725546 0.555999 Mn\n0.639425 0.913879 0.055999 Mn\n0.360575 0.274454 0.444001 Mn\n0.000000 0.673049 0.750000 Mn\n0.000000 0.326951 0.250000 Mn\n0.685829 0.186129 0.626342 Fe\n0.314171 0.500300 0.873658 Fe\n0.314171 0.813871 0.373658 Fe\n0.685829 0.499700 0.126342 Fe\n0.230526 0.975878 0.606105 N\n0.769474 0.745352 0.893895 N\n0.769474 0.024122 0.393895 N\n0.230526 0.254648 0.106105 N\n0.721458 0.247477 0.977237 N\n0.278542 0.526019 0.522763 N\n0.278542 0.752523 0.022763 N\n0.721458 0.473981 0.477237 N\n",
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{
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"structure_string": "Sr1 Zr1 In1 Sb1 O6\n1.0\n0.000000 -4.128975 -4.128975\n4.128975 0.000000 -4.128975\n4.128975 -4.128975 0.000000\nSr Zr In Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Zr\n0.250000 0.250000 0.250000 In\n0.000000 -0.000000 0.000000 Sb\n0.756291 0.243709 0.243709 O\n0.243709 0.756291 0.756291 O\n0.756291 0.243709 0.756291 O\n0.243709 0.756291 0.243709 O\n0.756291 0.756291 0.243709 O\n0.243709 0.243709 0.756291 O\n",
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{
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"structure_string": "Ba1 Mg14 Zn1 O16\n1.0\n8.787907 0.000000 0.000000\n0.000000 8.667961 -0.000000\n0.000000 0.000000 4.522416\nBa Mg Zn O\n1 14 1 16\ndirect\n0.000000 0.500000 -0.000000 Ba\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.000000 0.235275 0.500000 Mg\n0.000000 0.764725 0.500000 Mg\n0.500000 0.247144 0.500000 Mg\n0.500000 0.752856 0.500000 Mg\n0.251929 0.000000 0.500000 Mg\n0.264599 0.500000 0.500000 Mg\n0.748071 0.000000 0.500000 Mg\n0.735401 0.500000 0.500000 Mg\n0.260676 0.241047 0.000000 Mg\n0.260676 0.758953 -0.000000 Mg\n0.739324 0.241047 -0.000000 Mg\n0.739324 0.758953 -0.000000 Mg\n0.000000 0.000000 -0.000000 Zn\n0.264639 0.000000 0.000000 O\n0.280664 0.500000 -0.000000 O\n0.735361 0.000000 -0.000000 O\n0.719336 0.500000 -0.000000 O\n0.249542 0.249887 0.500000 O\n0.249542 0.750113 0.500000 O\n0.750458 0.249887 0.500000 O\n0.750458 0.750113 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.218839 0.000000 O\n0.000000 0.781161 -0.000000 O\n0.500000 0.245156 0.000000 O\n0.500000 0.754844 0.000000 O\n",
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}