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{
"id": "mp-1227903",
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"structure_string": "Ca4 Mn2 Al4 Si6 O26\n1.0\n5.757914 0.000000 0.000000\n0.000000 8.916726 0.000000\n0.000000 4.167532 9.484063\nCa Mn Al Si O\n4 2 4 6 26\ndirect\n0.750000 0.607108 0.156532 Ca\n0.250000 0.392892 0.843468 Ca\n0.750000 0.206008 0.417712 Ca\n0.250000 0.793992 0.582288 Ca\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.250000 0.048739 0.250503 Al\n0.750000 0.951261 0.749497 Al\n0.750000 0.869033 0.322385 Si\n0.250000 0.130967 0.677615 Si\n0.250000 0.412019 0.266849 Si\n0.750000 0.587981 0.733151 Si\n0.750000 0.298613 0.043270 Si\n0.250000 0.701387 0.956730 Si\n0.509950 0.200289 0.033401 O\n0.009950 0.799711 0.966599 O\n0.490050 0.799711 0.966599 O\n0.990050 0.200289 0.033401 O\n0.750000 0.338337 0.179613 O\n0.250000 0.661663 0.820387 O\n0.250000 0.938410 0.132654 O\n0.750000 0.061590 0.867346 O\n0.515112 0.956208 0.352503 O\n0.015112 0.043792 0.647497 O\n0.484888 0.043792 0.647497 O\n0.984888 0.956208 0.352503 O\n0.482257 0.460490 0.332644 O\n0.982257 0.539510 0.667356 O\n0.517743 0.539510 0.667356 O\n0.017743 0.460490 0.332644 O\n0.250000 0.220073 0.294905 O\n0.750000 0.779927 0.705095 O\n0.750000 0.669797 0.408013 O\n0.250000 0.330203 0.591987 O\n0.250000 0.523213 0.094432 O\n0.750000 0.476787 0.905568 O\n0.750000 0.895753 0.149779 O\n0.250000 0.104247 0.850221 O\n0.250000 0.639995 0.449767 O\n0.750000 0.360005 0.550233 O\n",
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{
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"created_at": "2022-09-04T14:43:10.271026Z",
"structure_string": "Er2 Cu1 Te2 S2 O14\n1.0\n4.987195 0.003196 1.434022\n-0.367715 7.021673 3.663589\n-0.026463 0.030830 8.176313\nEr Cu Te S O\n2 1 2 2 14\ndirect\n0.926786 0.747840 0.981810 Er\n0.073214 0.252160 0.018190 Er\n0.000000 0.000000 0.500000 Cu\n0.489883 0.727309 0.655726 Te\n0.510117 0.272691 0.344274 Te\n0.253124 0.748393 0.249440 S\n0.746876 0.251607 0.750560 S\n0.138116 0.588067 0.239284 O\n0.861884 0.411933 0.760716 O\n0.141568 0.746974 0.435465 O\n0.858432 0.253026 0.564535 O\n0.549463 0.736805 0.212663 O\n0.450537 0.263195 0.787337 O\n0.175979 0.923868 0.091286 O\n0.824021 0.076132 0.908714 O\n0.247967 0.559996 0.891935 O\n0.752033 0.440004 0.108065 O\n0.730337 0.811543 0.746884 O\n0.269663 0.188457 0.253116 O\n0.249211 0.927309 0.659741 O\n0.750789 0.072691 0.340259 O\n",
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"formula_full": "Er2 Cu1 Te2 S2 O14",
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},
{
"id": "mp-1028085",
"created_at": "2022-09-04T14:43:10.384910Z",
"structure_string": "Y1 Mg14 Zr1\n1.0\n6.535950 0.000000 -0.000000\n-3.267975 5.660298 0.000000\n0.000000 -0.000000 10.185515\nY Mg Zr\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Y\n0.171688 0.835844 0.125000 Mg\n0.169356 0.834677 0.625000 Mg\n0.664156 0.328312 0.125000 Mg\n0.665323 0.330644 0.625000 Mg\n0.664156 0.835844 0.125000 Mg\n0.665323 0.834677 0.625000 Mg\n0.333556 0.166444 0.378994 Mg\n0.333556 0.166444 0.871006 Mg\n0.333556 0.667114 0.378994 Mg\n0.333556 0.667114 0.871006 Mg\n0.832886 0.166444 0.378994 Mg\n0.832886 0.166444 0.871006 Mg\n0.833333 0.666667 0.373839 Mg\n0.833333 0.666667 0.876161 Mg\n0.166667 0.333333 0.625000 Zr\n",
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"formula_full": "Y1 Mg14 Zr1",
"formula_reduced": "YMg14Zr",
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"spacegroup": 187
},
{
"id": "mp-1103863",
"created_at": "2022-09-04T14:43:10.265906Z",
"structure_string": "Ho6 Pt8\n1.0\n4.258096 -6.597875 0.000000\n4.258096 6.597875 0.000000\n-5.965240 0.000000 5.106784\nHo Pt\n6 8\ndirect\n0.973511 0.596199 0.719350 Ho\n0.719350 0.973511 0.596199 Ho\n0.596199 0.719350 0.973511 Ho\n0.026489 0.403801 0.280650 Ho\n0.280650 0.026489 0.403801 Ho\n0.403801 0.280650 0.026489 Ho\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 Pt\n0.938719 0.774339 0.447145 Pt\n0.447145 0.938719 0.774339 Pt\n0.774339 0.447145 0.938719 Pt\n0.061281 0.225661 0.552855 Pt\n0.552855 0.061281 0.225661 Pt\n0.225661 0.552855 0.061281 Pt\n",
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"density": 14.758271810187201,
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"volume": 286.9439131068609,
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"formula_full": "Ho6 Pt8",
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},
{
"id": "mp-1246172",
"created_at": "2022-09-04T14:43:10.277651Z",
"structure_string": "Mn3 Co8 N8\n1.0\n7.342989 -0.020965 0.229897\n1.074758 3.803849 0.000000\n1.773343 -0.501049 6.244016\nMn Co N\n3 8 8\ndirect\n0.000000 0.500000 0.500000 Mn\n0.438926 0.780537 0.815722 Mn\n0.561074 0.219463 0.184278 Mn\n0.045795 0.977103 0.785415 Co\n0.954205 0.022897 0.214585 Co\n0.646304 0.676848 0.423201 Co\n0.353696 0.323152 0.576799 Co\n0.815292 0.592353 0.973129 Co\n0.184708 0.407647 0.026871 Co\n0.291246 0.854377 0.310891 Co\n0.708754 0.145623 0.689109 Co\n0.221851 0.889074 0.055420 N\n0.778149 0.110926 0.944580 N\n0.353513 0.823243 0.583688 N\n0.646487 0.176757 0.416312 N\n0.715387 0.642307 0.708701 N\n0.284613 0.357693 0.291299 N\n0.908684 0.545658 0.233028 N\n0.091316 0.454342 0.766972 N\n",
"nsites": 19,
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"elements": [
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],
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"formula_full": "Mn3 Co8 N8",
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},
{
"id": "mp-1017152",
"created_at": "2022-09-04T14:43:10.291795Z",
"structure_string": "Hf2 Mg12 Bi2\n1.0\n5.351966 0.000000 0.000000\n0.000000 6.172854 0.000000\n0.000000 0.000000 11.277810\nHf Mg Bi\n2 12 2\ndirect\n0.500000 0.500000 0.168068 Hf\n0.500000 0.000000 0.668068 Hf\n0.500000 0.252213 0.416857 Mg\n0.500000 0.747787 0.416857 Mg\n0.000000 0.739631 0.081345 Mg\n0.000000 0.260369 0.081345 Mg\n0.000000 0.000000 0.337944 Mg\n0.000000 0.500000 0.329909 Mg\n0.500000 0.752213 0.916857 Mg\n0.500000 0.247787 0.916857 Mg\n0.000000 0.239631 0.581345 Mg\n0.000000 0.760369 0.581345 Mg\n0.000000 0.500000 0.837944 Mg\n0.000000 0.000000 0.829909 Mg\n0.500000 0.000000 0.167671 Bi\n0.500000 0.500000 0.667671 Bi\n",
"nsites": 16,
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"elements": [
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{
"id": "mp-1267688",
"created_at": "2022-09-04T14:43:10.294798Z",
"structure_string": "Li6 Co4 Si6 O20\n1.0\n2.635455 -4.702721 -0.258279\n-5.391788 -0.046256 0.258932\n1.184068 -0.684026 -16.846193\nLi Co Si O\n6 4 6 20\ndirect\n0.427949 0.816117 0.721084 Li\n0.342219 0.852286 0.048893 Li\n0.183650 0.571887 0.221164 Li\n0.147746 0.658119 0.548762 Li\n0.833831 0.439053 0.782336 Li\n0.561275 0.165871 0.282466 Li\n0.807158 0.018689 0.583866 Co\n0.994861 0.812568 0.922420 Co\n0.981624 0.193022 0.083658 Co\n0.187209 0.005310 0.422407 Co\n0.891481 0.892445 0.249634 Si\n0.528214 0.679914 0.400177 Si\n0.319936 0.471449 0.900211 Si\n0.656543 0.530323 0.097015 Si\n0.469894 0.343501 0.596961 Si\n0.107794 0.108547 0.749652 Si\n0.149300 0.904084 0.293327 O\n0.096312 0.850708 0.793277 O\n0.243546 0.696240 0.436277 O\n0.303645 0.756164 0.936370 O\n0.600777 0.810028 0.310857 O\n0.798134 0.884961 0.453196 O\n0.902777 0.791300 0.044180 O\n0.450176 0.640283 0.605471 O\n0.359566 0.549787 0.105682 O\n0.189137 0.398616 0.811033 O\n0.795016 0.608518 0.186487 O\n0.648678 0.527986 0.888005 O\n0.472196 0.351289 0.388225 O\n0.115457 0.201663 0.953259 O\n0.208482 0.096541 0.544299 O\n0.392067 0.206105 0.686600 O\n0.632366 0.223504 0.068834 O\n0.776593 0.367501 0.568720 O\n0.933814 0.169929 0.209932 O\n0.830100 0.066067 0.709956 O\n",
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"spacegroup": 9
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{
"id": "mp-29629",
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"structure_string": "Be48 P32\n1.0\n-5.117925 5.117925 10.187483\n5.117925 -5.117925 10.187483\n5.117925 5.117925 -10.187483\nBe P\n48 32\ndirect\n0.828386 0.818228 0.273088 Be\n0.568228 0.795140 0.489842 Be\n0.305299 0.078386 0.510158 Be\n0.421614 0.194701 0.489842 Be\n0.704860 0.931772 0.510158 Be\n0.944701 0.954860 0.273088 Be\n0.681772 0.671614 0.726912 Be\n0.545140 0.555299 0.726912 Be\n0.921614 0.431772 0.226912 Be\n0.181772 0.454860 0.010158 Be\n0.444701 0.171614 0.989842 Be\n0.328386 0.055299 0.010158 Be\n0.045140 0.318228 0.989842 Be\n0.805299 0.295140 0.226912 Be\n0.068228 0.578386 0.773088 Be\n0.204860 0.694701 0.773088 Be\n0.810101 0.076957 0.502496 Be\n0.826957 0.824460 0.766855 Be\n0.057605 0.060101 0.233145 Be\n0.439899 0.442395 0.766855 Be\n0.675540 0.673043 0.233145 Be\n0.192395 0.925540 0.502496 Be\n0.423043 0.689899 0.497504 Be\n0.574460 0.307605 0.497504 Be\n0.939899 0.173043 0.997504 Be\n0.923043 0.425540 0.733145 Be\n0.692395 0.189899 0.266855 Be\n0.310101 0.807605 0.733145 Be\n0.074460 0.576957 0.266855 Be\n0.557605 0.324460 0.997504 Be\n0.326957 0.560101 0.002496 Be\n0.175540 0.942395 0.002496 Be\n0.555232 0.814010 0.008056 Be\n0.564010 0.055953 0.758778 Be\n0.297175 0.805232 0.241222 Be\n0.694768 0.202825 0.758778 Be\n0.444047 0.935990 0.241222 Be\n0.952825 0.694047 0.008056 Be\n0.685990 0.944768 0.991944 Be\n0.805953 0.547175 0.991944 Be\n0.194768 0.435990 0.491944 Be\n0.185990 0.194047 0.741222 Be\n0.452825 0.444768 0.258778 Be\n0.055232 0.047175 0.741222 Be\n0.305953 0.314010 0.258778 Be\n0.797175 0.555953 0.491944 Be\n0.064010 0.305232 0.508056 Be\n0.944047 0.702825 0.508056 Be\n0.000000 0.000000 0.000000 P\n0.750000 0.250000 0.500000 P\n0.250000 0.750000 0.500000 P\n0.500000 0.500000 0.000000 P\n0.750000 0.750000 0.000000 P\n0.500000 0.000000 0.500000 P\n0.000000 0.500000 0.500000 P\n0.250000 0.250000 0.000000 P\n0.375000 0.625000 0.750000 P\n0.375000 0.125000 0.750000 P\n0.375000 0.625000 0.250000 P\n0.875000 0.125000 0.750000 P\n0.375000 0.125000 0.250000 P\n0.875000 0.625000 0.750000 P\n0.875000 0.125000 0.250000 P\n0.875000 0.625000 0.250000 P\n0.625000 0.861049 0.736049 P\n0.611049 0.375000 0.736049 P\n0.638951 0.875000 0.263951 P\n0.125000 0.888951 0.263951 P\n0.125000 0.388951 0.763951 P\n0.138951 0.875000 0.763951 P\n0.111049 0.375000 0.236049 P\n0.625000 0.361049 0.236049 P\n0.007084 0.007084 0.514167 P\n0.757084 0.742916 0.500000 P\n0.242916 0.257084 0.500000 P\n0.492916 0.492916 0.485833 P\n0.742916 0.242916 0.985833 P\n0.992916 0.507084 0.000000 P\n0.507084 0.992916 0.000000 P\n0.257084 0.757084 0.014167 P\n",
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{
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