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{
"id": "mp-1185716",
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{
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"formula_full": "K2 Al1 In1 Br6",
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"spacegroup": 225
},
{
"id": "mp-1019262",
"created_at": "2022-09-04T14:47:58.060522Z",
"structure_string": "Ta2 N3 O1\n1.0\n2.718041 -4.707785 0.000000\n2.718041 4.707785 0.000000\n0.000000 0.000000 2.796731\nTa N O\n2 3 1\ndirect\n0.666667 0.333333 0.500000 Ta\n0.333333 0.666667 0.500000 Ta\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.000000 N\n0.000000 0.500000 0.000000 N\n0.000000 0.000000 0.000000 O\n",
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"spacegroup": 191
},
{
"id": "mp-1443117",
"created_at": "2022-09-04T14:47:59.951655Z",
"structure_string": "Ca4 Cu2 N4\n1.0\n2.489239 5.427839 0.000000\n-2.489239 5.427839 0.000000\n0.000000 3.501951 5.882194\nCa Cu N\n4 2 4\ndirect\n0.324019 0.324019 0.580632 Ca\n0.675981 0.675981 0.419368 Ca\n0.959838 0.959838 0.762303 Ca\n0.040162 0.040162 0.237697 Ca\n0.636287 0.636287 0.883923 Cu\n0.363713 0.363713 0.116077 Cu\n0.816797 0.816797 0.599288 N\n0.183203 0.183203 0.400712 N\n0.524068 0.524068 0.201665 N\n0.475932 0.475932 0.798335 N\n",
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"formula_full": "Ca4 Cu2 N4",
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{
"id": "mp-1174773",
"created_at": "2022-09-04T14:48:00.030988Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n9.962328 2.586693 0.000000\n-9.962328 2.586693 0.000000\n0.000000 1.941047 4.802413\nLi Mn Co O\n8 2 4 14\ndirect\n0.926155 0.073845 0.500000 Li\n0.355478 0.644522 0.500000 Li\n0.784372 0.215628 0.500000 Li\n0.218143 0.781857 0.500000 Li\n0.644121 0.355879 0.500000 Li\n0.070880 0.929120 0.500000 Li\n0.499881 0.500119 0.500000 Li\n0.285419 0.714581 0.000000 Li\n0.998725 0.001275 0.000000 Mn\n0.145517 0.854483 0.000000 Mn\n0.427465 0.572535 0.000000 Co\n0.857388 0.142612 0.000000 Co\n0.717344 0.282656 0.000000 Co\n0.570968 0.429032 0.000000 Co\n0.699047 0.845740 0.235982 O\n0.103396 0.382054 0.206593 O\n0.571481 0.996651 0.228926 O\n0.974471 0.556078 0.239411 O\n0.397253 0.110174 0.207318 O\n0.843284 0.700958 0.235010 O\n0.278604 0.277736 0.227551 O\n0.154260 0.300953 0.764018 O\n0.617946 0.896604 0.793407 O\n0.003349 0.428519 0.771074 O\n0.443922 0.025529 0.760589 O\n0.889826 0.602747 0.792682 O\n0.299042 0.156716 0.764990 O\n0.722264 0.721396 0.772449 O\n",
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"formula_full": "Li8 Mn2 Co4 O14",
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"spacegroup": 5
},
{
"id": "mp-1235314",
"created_at": "2022-09-04T14:48:00.062031Z",
"structure_string": "Ba3 Li1 Ti3 O8\n1.0\n5.869198 -0.025104 -0.127690\n-2.960376 5.109322 0.746720\n-0.115930 0.892541 7.756301\nBa Li Ti O\n3 1 3 8\ndirect\n0.054128 0.109634 0.055793 Ba\n0.287630 0.594062 0.616645 Ba\n0.671411 0.349218 0.312649 Ba\n0.812147 0.644797 0.886679 Li\n0.965720 0.969653 0.498962 Ti\n0.356265 0.707251 0.158054 Ti\n0.596666 0.185461 0.764206 Ti\n0.064481 0.634522 0.042085 O\n0.176522 0.357165 0.342451 O\n0.552100 0.106898 0.011164 O\n0.689939 0.860426 0.347175 O\n0.290621 0.056058 0.653235 O\n0.545492 0.616611 0.033803 O\n0.779855 0.554542 0.663739 O\n0.813270 0.076622 0.687468 O\n",
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"density_atomic": 0.06568321798018417,
"volume": 228.36883546913486,
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"formula_full": "Ba3 Li1 Ti3 O8",
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{
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"structure_string": "K3 Cu1\n1.0\n5.813225 0.000000 0.000000\n0.000000 5.813225 0.000000\n0.000000 0.000000 5.813225\nK Cu\n3 1\ndirect\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Cu\n",
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{
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{
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{
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{
"id": "mp-1221405",
"created_at": "2022-09-04T14:47:58.060671Z",
"structure_string": "Na1 Co2 O4\n1.0\n11.155420 -1.498860 0.000000\n11.155420 1.498860 0.000000\n10.954031 0.000000 2.588279\nNa Co O\n1 2 4\ndirect\n0.584095 0.584095 0.584095 Na\n0.001466 0.001466 0.001466 Co\n0.498530 0.498530 0.498530 Co\n0.693933 0.693933 0.693933 O\n0.199871 0.199871 0.199871 O\n0.805601 0.805601 0.805601 O\n0.298504 0.298504 0.298504 O\n",
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"updated_at": "2021-11-28T01:38:20.918000Z",
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}
]
}