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{
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{
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{
"id": "mp-1173969",
"created_at": "2022-09-04T14:40:36.795217Z",
"structure_string": "Li6 Mn4 O10\n1.0\n2.963409 0.004283 -0.269076\n0.232951 7.953291 2.051328\n-0.194644 0.068878 7.841590\nLi Mn O\n6 4 10\ndirect\n0.599909 0.700027 0.199990 Li\n0.599941 0.200035 0.199959 Li\n0.736909 0.107148 0.576176 Li\n0.462990 0.292950 0.823815 Li\n0.000450 0.479636 0.001111 Li\n0.199437 0.920353 0.398917 Li\n0.174042 0.393794 0.391815 Mn\n0.780777 0.602749 0.594992 Mn\n0.025985 0.006156 0.008221 Mn\n0.419339 0.797197 0.805031 Mn\n0.466672 0.033677 0.829916 O\n0.733368 0.366291 0.570076 O\n0.620050 0.443175 0.223877 O\n0.580008 0.956810 0.176124 O\n0.775366 0.841512 0.605292 O\n0.424747 0.558454 0.794699 O\n0.016219 0.232423 0.995334 O\n0.183681 0.167606 0.404635 O\n0.155533 0.636541 0.405251 O\n0.044580 0.763466 0.994770 O\n",
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"formula_full": "Li6 Mn4 O10",
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},
{
"id": "mp-1078234",
"created_at": "2022-09-04T14:40:36.795793Z",
"structure_string": "Ba2 Ge6\n1.0\n3.428362 -5.938098 0.000000\n3.428362 5.938098 0.000000\n0.000000 0.000000 5.261891\nBa Ge\n2 6\ndirect\n0.333333 0.666667 0.750000 Ba\n0.666667 0.333333 0.250000 Ba\n0.126656 0.873344 0.250000 Ge\n0.126656 0.253312 0.250000 Ge\n0.746688 0.873344 0.250000 Ge\n0.873344 0.126656 0.750000 Ge\n0.873344 0.746688 0.750000 Ge\n0.253312 0.126656 0.750000 Ge\n",
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"updated_at": "2021-11-28T01:35:03.118000Z",
"spacegroup": 194
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{
"id": "mp-2553",
"created_at": "2022-09-04T14:40:36.813736Z",
"structure_string": "Hf1 Be2\n1.0\n1.896739 -3.285249 0.000000\n1.896739 3.285249 0.000000\n0.000000 0.000000 3.162399\nHf Be\n1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.333333 0.666667 0.500000 Be\n0.666667 0.333333 0.500000 Be\n",
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"updated_at": "2021-11-28T01:35:05.223000Z",
"spacegroup": 191
},
{
"id": "mp-1102902",
"created_at": "2022-09-04T14:40:36.840688Z",
"structure_string": "Pr2 Ni5 B4\n1.0\n2.565609 4.919014 0.000000\n-2.565609 4.919014 0.000000\n0.000000 3.966098 5.541090\nPr Ni B\n2 5 4\ndirect\n0.274174 0.274174 0.649015 Pr\n0.725826 0.725826 0.350985 Pr\n0.176439 0.672456 0.872243 Ni\n0.672456 0.176439 0.872243 Ni\n0.823561 0.327544 0.127757 Ni\n0.327544 0.823561 0.127757 Ni\n0.000000 0.000000 0.500000 Ni\n0.779033 0.779033 0.840423 B\n0.220967 0.220967 0.159577 B\n0.400873 0.400873 0.138674 B\n0.599127 0.599127 0.861326 B\n",
"nsites": 11,
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"formula_full": "Pr2 Ni5 B4",
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"energy": -70.18040863,
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{
"id": "mp-1200055",
"created_at": "2022-09-04T14:40:36.755884Z",
"structure_string": "H24 C8 Se8\n1.0\n0.000000 0.000000 -5.684396\n0.000000 -9.654880 -2.842198\n-12.119177 0.000000 -2.842198\nH C Se\n24 8 8\ndirect\n0.957562 0.995571 0.240656 H\n0.193789 0.004429 0.759344 H\n0.448218 0.495571 0.259344 H\n0.203133 0.504429 0.740656 H\n0.667354 0.119144 0.222865 H\n0.009363 0.880856 0.777135 H\n0.140219 0.619144 0.277135 H\n0.036498 0.380856 0.722865 H\n0.929843 0.071039 0.107972 H\n0.108854 0.928961 0.892028 H\n0.287815 0.571039 0.392028 H\n0.250882 0.428961 0.607972 H\n0.181942 0.038508 0.446986 H\n0.667437 0.961492 0.553014 H\n0.878929 0.538508 0.053014 H\n0.470451 0.461492 0.946986 H\n0.353258 0.167560 0.433548 H\n0.954367 0.832440 0.566452 H\n0.036807 0.667560 0.066452 H\n0.770818 0.332440 0.933548 H\n0.118099 0.160827 0.556082 H\n0.835008 0.839173 0.443918 H\n0.924181 0.660827 0.943918 H\n0.528925 0.339173 0.056082 H\n0.872414 0.089054 0.197596 C\n0.159064 0.910946 0.802404 C\n0.320010 0.589054 0.302404 C\n0.211468 0.410946 0.697596 C\n0.172971 0.144764 0.466251 C\n0.783986 0.855236 0.533749 C\n0.889222 0.644764 0.033749 C\n0.567734 0.355236 0.966251 C\n0.010678 0.242140 0.219564 Se\n0.472382 0.757860 0.780436 Se\n0.480242 0.742140 0.280436 Se\n0.502818 0.257860 0.719564 Se\n0.900133 0.279011 0.410552 Se\n0.589697 0.720989 0.589448 Se\n0.560686 0.779011 0.089448 Se\n0.429144 0.220989 0.910552 Se\n",
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{
"id": "mp-1210058",
"created_at": "2022-09-04T14:40:36.759663Z",
"structure_string": "Ni30 Sb3 P9\n1.0\n3.830791 -6.635125 0.000000\n3.830791 6.635125 0.000000\n0.000000 0.000000 9.640461\nNi Sb P\n30 3 9\ndirect\n0.336748 0.000000 0.500000 Ni\n0.663252 0.000000 0.500000 Ni\n0.000000 0.336748 0.500000 Ni\n0.000000 0.663252 0.500000 Ni\n0.663252 0.663252 0.500000 Ni\n0.336748 0.336748 0.500000 Ni\n0.000000 0.000000 0.380358 Ni\n0.000000 0.000000 0.619642 Ni\n0.811419 0.188581 0.072248 Ni\n0.188581 0.811419 0.927752 Ni\n0.811419 0.622837 0.072248 Ni\n0.188581 0.377163 0.927752 Ni\n0.377163 0.188581 0.072248 Ni\n0.622837 0.811419 0.927752 Ni\n0.333333 0.666667 0.097481 Ni\n0.666667 0.333333 0.902519 Ni\n0.508200 0.491800 0.240392 Ni\n0.491800 0.508200 0.759608 Ni\n0.508200 0.016400 0.240392 Ni\n0.491800 0.983600 0.759608 Ni\n0.983600 0.491800 0.240392 Ni\n0.016400 0.508200 0.759608 Ni\n0.333333 0.666667 0.611737 Ni\n0.666667 0.333333 0.388263 Ni\n0.136629 0.863371 0.198312 Ni\n0.863371 0.136629 0.801688 Ni\n0.136629 0.273259 0.198312 Ni\n0.863371 0.726741 0.801688 Ni\n0.726741 0.863371 0.198312 Ni\n0.273259 0.136629 0.801688 Ni\n0.333333 0.666667 0.360086 Sb\n0.666667 0.333333 0.639914 Sb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.000000 P\n0.000000 0.500000 0.000000 P\n0.500000 0.500000 0.000000 P\n0.835366 0.164634 0.309182 P\n0.164634 0.835366 0.690818 P\n0.835366 0.670731 0.309182 P\n0.164634 0.329269 0.690818 P\n0.329269 0.164634 0.309182 P\n0.670731 0.835366 0.690818 P\n",
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{
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"structure_string": "Ca6 Cr4 Si8 O28\n1.0\n3.846204 8.600476 0.000000\n-3.846204 8.600476 0.000000\n0.000000 5.783057 8.380152\nCa Cr Si O\n6 4 8 28\ndirect\n0.231747 0.165202 0.539319 Ca\n0.834798 0.768253 0.960681 Ca\n0.165202 0.231747 0.039319 Ca\n0.655719 0.344281 0.250000 Ca\n0.768253 0.834798 0.460681 Ca\n0.344281 0.655719 0.750000 Ca\n0.209104 0.790896 0.250000 Cr\n0.790896 0.209104 0.750000 Cr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.118047 0.534982 0.651702 Si\n0.534982 0.118047 0.151702 Si\n0.212452 0.535391 0.149031 Si\n0.535391 0.212452 0.649031 Si\n0.465018 0.881953 0.848298 Si\n0.787548 0.464609 0.850969 Si\n0.464609 0.787548 0.350969 Si\n0.881953 0.465018 0.348298 Si\n0.284231 0.881471 0.499870 O\n0.894430 0.961626 0.727470 O\n0.646915 0.463170 0.807444 O\n0.961626 0.894430 0.227470 O\n0.925304 0.264002 0.497444 O\n0.498597 0.050185 0.821193 O\n0.463170 0.646915 0.307444 O\n0.735998 0.074696 0.002556 O\n0.501403 0.949815 0.178807 O\n0.667782 0.658958 0.411295 O\n0.105570 0.038374 0.272530 O\n0.074696 0.735998 0.502556 O\n0.949815 0.501403 0.678807 O\n0.881471 0.284231 0.999870 O\n0.658958 0.667782 0.911295 O\n0.264002 0.925304 0.997444 O\n0.468250 0.894272 0.683216 O\n0.332218 0.341042 0.588705 O\n0.105728 0.531750 0.816784 O\n0.341042 0.332218 0.088705 O\n0.050185 0.498597 0.321193 O\n0.038374 0.105570 0.772530 O\n0.894272 0.468250 0.183216 O\n0.353085 0.536830 0.192556 O\n0.531750 0.105728 0.316784 O\n0.536830 0.353085 0.692556 O\n0.118529 0.715769 0.000130 O\n0.715769 0.118529 0.500130 O\n",
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{
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}