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{
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"results": [
{
"id": "mp-19185",
"created_at": "2022-09-04T14:39:08.758622Z",
"structure_string": "Mn6 B4 O12\n1.0\n4.693329 0.000006 0.000001\n0.000007 5.755211 0.000000\n0.000001 0.000000 8.818009\nMn B O\n6 4 12\ndirect\n0.000001 0.000000 0.000025 Mn\n0.499998 0.999996 0.687830 Mn\n0.000000 0.500001 0.188079 Mn\n0.500001 0.500000 0.499982 Mn\n0.000000 0.500001 0.812129 Mn\n0.500000 0.000000 0.311904 Mn\n0.038319 0.243141 0.500023 B\n0.461686 0.743139 0.999984 B\n0.961681 0.756859 0.500022 B\n0.538314 0.256861 0.999984 B\n0.253202 0.318106 0.000022 O\n0.753209 0.181899 0.499981 O\n0.246790 0.818101 0.499980 O\n0.746799 0.681894 0.000022 O\n0.311534 0.787812 0.134559 O\n0.811530 0.712191 0.365455 O\n0.311632 0.787701 0.865445 O\n0.688368 0.212299 0.865446 O\n0.811635 0.712292 0.634557 O\n0.188366 0.287708 0.634557 O\n0.688466 0.212188 0.134559 O\n0.188470 0.287809 0.365455 O\n",
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"spacegroup": 58
},
{
"id": "mp-568273",
"created_at": "2022-09-04T14:40:06.120003Z",
"structure_string": "Li2 I2\n1.0\n2.122540 -3.676348 0.000000\n2.122540 3.676348 0.000000\n0.000000 0.000000 6.978563\nLi I\n2 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.333333 0.666667 0.250000 I\n0.666667 0.333333 0.750000 I\n",
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"updated_at": "2021-11-28T01:34:51.306000Z",
"spacegroup": 194
},
{
"id": "mp-758152",
"created_at": "2022-09-04T14:39:33.656113Z",
"structure_string": "Li8 Ti6 Mn6 Te4 O32\n1.0\n-3.009533 5.211643 -0.000045\n0.009995 0.005687 10.315769\n9.147567 5.280327 0.005195\nLi Ti Mn Te O\n8 6 6 4 32\ndirect\n0.499949 0.901720 0.170707 Li\n0.999949 0.901720 0.670714 Li\n0.000010 0.990148 0.008285 Li\n0.500012 0.990154 0.508275 Li\n0.999949 0.491810 0.000365 Li\n0.499952 0.491797 0.500361 Li\n0.000032 0.400152 0.331013 Li\n0.500032 0.400178 0.831023 Li\n0.999870 0.721615 0.176517 Ti\n0.499867 0.721610 0.676505 Ti\n0.748736 0.221951 0.088086 Ti\n0.248744 0.221946 0.588078 Ti\n0.251435 0.221788 0.088069 Ti\n0.751429 0.221780 0.588060 Ti\n0.000031 0.212439 0.831580 Mn\n0.250041 0.711462 0.417348 Mn\n0.750092 0.711439 0.417388 Mn\n0.500013 0.212444 0.331574 Mn\n0.749972 0.711537 0.917324 Mn\n0.250138 0.711493 0.917366 Mn\n0.499849 0.493706 0.166098 Te\n0.999839 0.493673 0.666114 Te\n0.000015 0.993868 0.359534 Te\n0.500017 0.993878 0.859543 Te\n0.500023 0.317982 0.004423 O\n0.000022 0.317985 0.504431 O\n0.499953 0.114860 0.156409 O\n0.999953 0.114868 0.656410 O\n0.999962 0.311391 0.001281 O\n0.499961 0.311390 0.501281 O\n0.500122 0.804014 0.497581 O\n0.000119 0.804022 0.997562 O\n0.000096 0.119542 0.149777 O\n0.500095 0.119548 0.649774 O\n0.499946 0.578556 0.331253 O\n0.999945 0.578565 0.831257 O\n0.999965 0.615335 0.337174 O\n0.499965 0.615343 0.837134 O\n0.000026 0.857733 0.488401 O\n0.500024 0.857725 0.988400 O\n0.768983 0.607609 0.076162 O\n0.269003 0.607596 0.576197 O\n0.231157 0.607466 0.076265 O\n0.731145 0.607456 0.576295 O\n0.736417 0.343661 0.225845 O\n0.236419 0.343674 0.725845 O\n0.263742 0.343841 0.225792 O\n0.763743 0.343856 0.725792 O\n0.231262 0.816090 0.255169 O\n0.731278 0.816106 0.755143 O\n0.768660 0.816049 0.255165 O\n0.268645 0.816060 0.755144 O\n0.251610 0.090750 0.432166 O\n0.751616 0.090743 0.932173 O\n0.748387 0.090782 0.432184 O\n0.248384 0.090775 0.932193 O\n",
"nsites": 56,
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"elements": [
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],
"chemical_system": "Li-Mn-O-Te-Ti",
"density": 4.29171963566846,
"density_atomic": 0.08540187997279408,
"volume": 655.7232700010767,
"volume_molar": 7.05153184206066,
"formula_full": "Li8 Ti6 Mn6 Te4 O32",
"formula_reduced": "Li4Ti3Mn3(TeO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -425.94398106,
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"updated_at": "2021-11-28T01:34:45.430000Z",
"spacegroup": 8
},
{
"id": "mp-1198167",
"created_at": "2022-09-04T14:39:07.155305Z",
"structure_string": "Na16 H112 C8 O80\n1.0\n-0.000000 0.000000 7.065866\n14.638410 0.000000 -0.000000\n0.000000 19.429259 0.000000\nNa H C O\n16 112 8 80\ndirect\n0.448015 0.011414 0.228496 Na\n0.551985 0.511414 0.271504 Na\n0.051985 0.988586 0.728496 Na\n0.948015 0.488586 0.771504 Na\n0.551985 0.988586 0.771504 Na\n0.448015 0.488586 0.728496 Na\n0.948015 0.011414 0.271504 Na\n0.051985 0.511414 0.228496 Na\n0.147594 0.948007 0.055321 Na\n0.852406 0.448007 0.444679 Na\n0.352406 0.051993 0.555321 Na\n0.647594 0.551993 0.944679 Na\n0.852406 0.051993 0.944679 Na\n0.147594 0.551993 0.555321 Na\n0.647594 0.948007 0.444679 Na\n0.352406 0.448007 0.055321 Na\n0.509404 0.038151 0.077333 H\n0.490596 0.538151 0.422667 H\n0.990596 0.961849 0.577333 H\n0.009404 0.461849 0.922667 H\n0.490596 0.961849 0.922667 H\n0.509404 0.461849 0.577333 H\n0.009404 0.038151 0.422667 H\n0.990596 0.538151 0.077333 H\n0.509477 0.932065 0.097136 H\n0.490523 0.432065 0.402864 H\n0.990523 0.067935 0.597136 H\n0.009477 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0.213844 H\n0.226927 0.847121 0.286156 H\n0.726927 0.652879 0.713844 H\n0.273073 0.152879 0.786156 H\n0.231532 0.769400 0.124281 H\n0.768468 0.269400 0.375719 H\n0.268468 0.230600 0.624281 H\n0.731532 0.730600 0.875719 H\n0.768468 0.230600 0.875719 H\n0.231532 0.730600 0.624281 H\n0.731532 0.769400 0.375719 H\n0.268468 0.269400 0.124281 H\n0.006256 0.785511 0.131373 H\n0.993744 0.285511 0.368627 H\n0.493744 0.214489 0.631373 H\n0.506256 0.714489 0.868627 H\n0.993744 0.214489 0.868627 H\n0.006256 0.714489 0.631373 H\n0.506256 0.785511 0.368627 H\n0.493744 0.285511 0.131373 H\n0.389984 0.643483 0.042540 H\n0.610016 0.143483 0.457460 H\n0.110016 0.356517 0.542540 H\n0.889984 0.856517 0.957460 H\n0.610016 0.356517 0.957460 H\n0.389984 0.856517 0.542540 H\n0.889984 0.643483 0.457460 H\n0.110016 0.143483 0.042540 H\n0.277694 0.629011 0.973037 H\n0.722306 0.129011 0.526963 H\n0.222306 0.370989 0.473037 H\n0.777694 0.870989 0.026963 H\n0.722306 0.370989 0.026963 H\n0.277694 0.870989 0.473037 H\n0.777694 0.629011 0.526963 H\n0.222306 0.129011 0.973037 H\n0.814961 0.004083 0.146423 H\n0.185039 0.504083 0.353577 H\n0.685039 0.995917 0.646423 H\n0.314961 0.495917 0.853577 H\n0.185039 0.995917 0.853577 H\n0.814961 0.495917 0.646423 H\n0.314961 0.004083 0.353577 H\n0.685039 0.504083 0.146423 H\n0.541471 0.585427 0.136817 H\n0.458529 0.085427 0.363183 H\n0.958529 0.414573 0.636817 H\n0.041471 0.914573 0.863183 H\n0.458529 0.414573 0.863183 H\n0.541471 0.914573 0.636817 H\n0.041471 0.585427 0.363183 H\n0.958529 0.085427 0.136817 H\n0.842527 0.665742 0.068900 H\n0.157473 0.165742 0.431100 H\n0.657473 0.334258 0.568900 H\n0.342527 0.834258 0.931100 H\n0.157473 0.334258 0.931100 H\n0.842527 0.834258 0.568900 H\n0.342527 0.665742 0.431100 H\n0.657473 0.165742 0.068900 H\n0.053382 0.347127 0.003657 H\n0.946618 0.847127 0.496343 H\n0.446618 0.652873 0.503656 H\n0.553382 0.152873 0.996344 H\n0.946618 0.652873 0.996344 H\n0.053382 0.152873 0.503656 H\n0.553382 0.347127 0.496343 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{
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"structure_string": "Y4 Cr4 O12\n1.0\n5.317254 0.000004 -0.000019\n0.000004 5.614676 -0.000011\n-0.000027 -0.000015 7.667365\nY Cr O\n4 4 12\ndirect\n0.018937 0.932555 0.750001 Y\n0.518937 0.567446 0.250001 Y\n0.481063 0.432554 0.749999 Y\n0.981062 0.067446 0.249999 Y\n0.499999 0.000004 0.500003 Cr\n0.000000 0.500004 0.000001 Cr\n0.000002 0.499995 0.499993 Cr\n0.500002 0.999992 0.000004 Cr\n0.111902 0.459143 0.249999 O\n0.611904 0.040859 0.749998 O\n0.388096 0.959142 0.250001 O\n0.888097 0.540858 0.750001 O\n0.693032 0.302360 0.442641 O\n0.193035 0.197639 0.557361 O\n0.806966 0.802361 0.057360 O\n0.306964 0.697638 0.942639 O\n0.306967 0.697641 0.557359 O\n0.806963 0.802361 0.442639 O\n0.193033 0.197640 0.942640 O\n0.693037 0.302363 0.057361 O\n",
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{
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{
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{
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"elements": [
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],
"chemical_system": "Na-O-Si-Y",
"density": 2.6466867095919056,
"density_atomic": 0.07035357718263006,
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"volume_molar": 8.559821690895962,
"formula_full": "Na12 Y4 Si24 O60",
"formula_reduced": "Na3Y(Si2O5)3",
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"updated_at": "2021-11-28T01:34:28.733000Z",
"spacegroup": 64
},
{
"id": "mp-1517901",
"created_at": "2022-09-04T14:40:11.536081Z",
"structure_string": "Ba1 Li1 Sn1 Bi1 O6\n1.0\n0.000000 -4.190492 -4.190492\n4.190492 0.000000 -4.190492\n4.190492 -4.190492 0.000000\nBa Li Sn Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Bi\n0.746946 0.253054 0.253054 O\n0.253054 0.746946 0.746946 O\n0.746946 0.253054 0.746946 O\n0.253054 0.746946 0.253054 O\n0.746946 0.746946 0.253054 O\n0.253054 0.253054 0.746946 O\n",
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"formula_full": "Ba1 Li1 Sn1 Bi1 O6",
"formula_reduced": "BaLiSnBiO6",
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"updated_at": "2021-11-28T01:34:48.300000Z",
"spacegroup": 216
},
{
"id": "mp-1227411",
"created_at": "2022-09-04T14:42:10.566837Z",
"structure_string": "Ba2 Sr2 Ni2 W2 O12\n1.0\n-4.054829 -0.000001 -4.054836\n-0.000038 -4.054801 -4.054799\n-4.054745 -8.109591 4.054751\nBa Sr Ni W O\n2 2 2 2 12\ndirect\n0.125000 0.750000 0.375001 Ba\n0.625000 0.750002 0.874999 Ba\n0.374999 0.250001 0.125000 Sr\n0.875001 0.250000 0.625001 Sr\n0.250003 0.500004 0.749999 Ni\n0.749998 0.499996 0.250003 Ni\n0.500001 0.999998 0.500003 W\n0.999999 0.000003 0.999996 W\n0.138494 0.241005 0.379496 O\n0.638493 0.241004 0.879498 O\n0.620501 0.241004 0.379497 O\n0.120502 0.241006 0.879497 O\n0.620501 0.758999 0.379500 O\n0.120501 0.758997 0.879499 O\n0.879499 0.758994 0.120500 O\n0.379499 0.758995 0.620503 O\n0.879500 0.241002 0.120500 O\n0.379498 0.241003 0.620503 O\n0.361506 0.758995 0.120500 O\n0.861508 0.758993 0.620504 O\n",
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}
]
}