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{
"id": "mp-1235130",
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"structure_string": "Li1 Nd2 H6 O6\n1.0\n6.573420 -0.061050 -0.000683\n-3.333730 5.720136 0.009114\n-0.000566 0.005667 3.810534\nLi Nd H O\n1 2 6 6\ndirect\n0.000000 0.000000 0.500000 Li\n0.335106 0.667652 0.260230 Nd\n0.664894 0.332348 0.739770 Nd\n0.892865 0.723490 0.162036 H\n0.834804 0.115249 0.158459 H\n0.266345 0.168042 0.148565 H\n0.107135 0.276510 0.837964 H\n0.165196 0.884751 0.841541 H\n0.733655 0.831958 0.851435 H\n0.918192 0.598174 0.253020 O\n0.682277 0.083976 0.256361 O\n0.391899 0.314560 0.258791 O\n0.081808 0.401826 0.746980 O\n0.317723 0.916024 0.743639 O\n0.608101 0.685440 0.741209 O\n",
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{
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{
"id": "mp-807771",
"created_at": "2022-09-04T14:39:07.547420Z",
"structure_string": "Li3 V1 Cr3 O8\n1.0\n5.863727 0.000000 0.000000\n-2.919189 5.164287 0.000000\n-0.019564 -3.380908 4.894038\nLi V Cr O\n3 1 3 8\ndirect\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n0.500000 0.500000 0.000000 Cr\n0.306255 0.038650 0.214072 O\n0.313223 0.547691 0.216124 O\n0.804097 0.550874 0.215063 O\n0.210867 0.973548 0.775081 O\n0.789133 0.026452 0.224919 O\n0.195903 0.449126 0.784937 O\n0.686777 0.452309 0.783876 O\n0.693745 0.961350 0.785928 O\n",
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"formula_full": "Li3 V1 Cr3 O8",
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{
"id": "mp-866685",
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"structure_string": "Er4 Ga18 Co6\n1.0\n3.678071 -6.344381 0.000000\n3.678071 6.344381 0.000000\n0.000000 0.000000 9.357876\nEr Ga Co\n4 18 6\ndirect\n0.502964 0.831166 0.750000 Er\n0.497036 0.168834 0.250000 Er\n0.168834 0.497036 0.250000 Er\n0.831166 0.502964 0.750000 Er\n0.163367 0.948357 0.750000 Ga\n0.836633 0.051643 0.250000 Ga\n0.051643 0.836633 0.250000 Ga\n0.948357 0.163367 0.750000 Ga\n0.620392 0.620392 0.250000 Ga\n0.379608 0.379608 0.750000 Ga\n0.166700 0.166700 0.059099 Ga\n0.833300 0.833300 0.559099 Ga\n0.833300 0.833300 0.940901 Ga\n0.166700 0.166700 0.440901 Ga\n0.499497 0.834297 0.073262 Ga\n0.500503 0.165703 0.573262 Ga\n0.165703 0.500503 0.926738 Ga\n0.834297 0.499497 0.426738 Ga\n0.500503 0.165703 0.926738 Ga\n0.499497 0.834297 0.426738 Ga\n0.834297 0.499497 0.073262 Ga\n0.165703 0.500503 0.573262 Ga\n0.171186 0.828814 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.828814 0.171186 0.500000 Co\n0.828814 0.171186 0.000000 Co\n0.171186 0.828814 0.500000 Co\n",
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"density": 8.66002770144305,
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"formula_full": "Er4 Ga18 Co6",
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{
"id": "mp-21766",
"created_at": "2022-09-04T14:39:13.427313Z",
"structure_string": "Ba8 In16 Se32\n1.0\n0.000000 11.486120 11.666128\n6.904605 0.000000 11.666128\n6.904605 11.486120 0.000000\nBa In Se\n8 16 32\ndirect\n0.497751 0.497751 0.002249 Ba\n0.002249 0.002249 0.497751 Ba\n0.752249 0.752249 0.247751 Ba\n0.247751 0.247751 0.752249 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ba\n0.592729 0.157009 0.266128 In\n0.984135 0.266128 0.157009 In\n0.266128 0.984135 0.592729 In\n0.157009 0.592729 0.984135 In\n0.657271 0.092991 0.983872 In\n0.265865 0.983872 0.092991 In\n0.983872 0.265865 0.657271 In\n0.092991 0.657271 0.265865 In\n0.236978 0.511640 0.489088 In\n0.762294 0.489088 0.511640 In\n0.489088 0.762294 0.236978 In\n0.511640 0.236978 0.762294 In\n0.013022 0.738360 0.760912 In\n0.487706 0.760912 0.738360 In\n0.760912 0.487706 0.013022 In\n0.738360 0.013022 0.487706 In\n0.307199 0.440038 0.774422 Se\n0.478342 0.774422 0.440038 Se\n0.774422 0.478342 0.307199 Se\n0.440038 0.307199 0.478342 Se\n0.942801 0.809962 0.475578 Se\n0.771658 0.475578 0.809962 Se\n0.475578 0.771658 0.942801 Se\n0.809962 0.942801 0.771658 Se\n0.965403 0.786614 0.971586 Se\n0.276397 0.971586 0.786614 Se\n0.971586 0.276397 0.965403 Se\n0.786614 0.965403 0.276397 Se\n0.284597 0.463386 0.278414 Se\n0.973603 0.278414 0.463386 Se\n0.278414 0.973603 0.284597 Se\n0.463386 0.284597 0.973603 Se\n0.211927 0.209842 0.038289 Se\n0.539942 0.038289 0.209842 Se\n0.038289 0.539942 0.211927 Se\n0.209842 0.211927 0.539942 Se\n0.038073 0.040158 0.211711 Se\n0.710058 0.211711 0.040158 Se\n0.211711 0.710058 0.038073 Se\n0.040158 0.038073 0.710058 Se\n0.541145 0.537828 0.709230 Se\n0.211797 0.709230 0.537828 Se\n0.709230 0.211797 0.541145 Se\n0.537828 0.541145 0.211797 Se\n0.708855 0.712172 0.540770 Se\n0.038203 0.540770 0.712172 Se\n0.540770 0.038203 0.708855 Se\n0.712172 0.708855 0.038203 Se\n",
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{
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"structure_string": "Ba2 Cu1 W1 O6\n1.0\n-2.813960 2.813960 4.465531\n2.813960 -2.813960 4.465531\n2.813960 2.813960 -4.465531\nBa Cu W O\n2 1 1 6\ndirect\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 W\n0.746906 0.253094 0.000000 O\n0.746906 0.746906 0.493813 O\n0.281791 0.281791 0.000000 O\n0.253094 0.746906 0.000000 O\n0.718209 0.718209 0.000000 O\n0.253094 0.253094 0.506187 O\n",
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{
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{
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"structure_string": "Sr4 P12 Rh14\n1.0\n11.205460 0.000000 0.000000\n0.000000 11.205460 0.000000\n0.000000 0.000000 4.146688\nSr P Rh\n4 12 14\ndirect\n0.161462 0.661462 0.751311 Sr\n0.338538 0.161462 0.248689 Sr\n0.661462 0.838538 0.248689 Sr\n0.838538 0.338538 0.751311 Sr\n0.858066 0.110934 0.276466 P\n0.358066 0.389066 0.723534 P\n0.572613 0.072613 0.765374 P\n0.641934 0.610934 0.723534 P\n0.610934 0.358066 0.276466 P\n0.072613 0.427387 0.234626 P\n0.389066 0.641934 0.276466 P\n0.927387 0.572613 0.234626 P\n0.110934 0.141934 0.723534 P\n0.427387 0.927387 0.765374 P\n0.141934 0.889066 0.276466 P\n0.889066 0.858066 0.723534 P\n0.537441 0.276148 0.755619 Rh\n0.037441 0.223852 0.244381 Rh\n0.723852 0.537441 0.244381 Rh\n0.276148 0.462559 0.244381 Rh\n0.347492 0.847492 0.263597 Rh\n0.847492 0.652508 0.736403 Rh\n0.962559 0.776148 0.244381 Rh\n0.223852 0.962559 0.755619 Rh\n0.776148 0.037441 0.755619 Rh\n0.000000 0.000000 0.000000 Rh\n0.152508 0.347492 0.736403 Rh\n0.462559 0.723852 0.755619 Rh\n0.500000 0.500000 0.000000 Rh\n0.652508 0.152508 0.263597 Rh\n",
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{
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"formula_full": "Ni18 Te10 Pb12 O60",
"formula_reduced": "Ni9Te5(PbO5)6",
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"updated_at": "2021-11-28T01:34:25.208000Z",
"spacegroup": 182
},
{
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"structure_string": "Ba2 Mg2 F8\n1.0\n2.082583 -7.433187 0.000000\n2.082583 7.433187 0.000000\n0.000000 0.000000 5.934655\nBa Mg F\n2 2 8\ndirect\n0.650355 0.349645 0.147771 Ba\n0.349645 0.650355 0.647771 Ba\n0.916154 0.083846 0.189949 Mg\n0.083846 0.916154 0.689949 Mg\n0.421630 0.578370 0.203878 F\n0.578370 0.421630 0.703878 F\n0.804257 0.195743 0.379477 F\n0.195743 0.804257 0.879477 F\n0.027268 0.972732 0.006203 F\n0.972732 0.027268 0.506203 F\n0.162253 0.837747 0.422202 F\n0.837747 0.162253 0.922202 F\n",
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{
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]
}