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{
"id": "mp-1077452",
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{
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"spacegroup": 189
},
{
"id": "mp-2723",
"created_at": "2022-09-04T14:48:09.956597Z",
"structure_string": "Ir2 O4\n1.0\n4.544939 0.000000 0.000000\n0.000000 4.544939 0.000000\n0.000000 0.000000 3.189507\nIr O\n2 4\ndirect\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.691646 0.691646 0.000000 O\n0.191646 0.808354 0.500000 O\n0.308354 0.308354 0.000000 O\n0.808354 0.191646 0.500000 O\n",
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"formula_full": "Ir2 O4",
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{
"id": "mp-685675",
"created_at": "2022-09-04T14:48:09.970300Z",
"structure_string": "Li26 B72 O3\n1.0\n8.218433 0.000000 0.000000\n-4.108693 7.118751 0.000000\n-0.014351 -0.006973 16.473483\nLi B O\n26 72 3\ndirect\n0.760567 0.795471 0.256203 Li\n0.360255 0.711252 0.999868 Li\n0.342435 0.684494 0.248703 Li\n0.346894 0.673690 0.499040 Li\n0.346590 0.672647 0.751886 Li\n0.040237 0.802265 0.230128 Li\n0.848929 0.737083 0.500875 Li\n0.846417 0.736130 0.751649 Li\n0.187112 0.375874 0.996995 Li\n0.015289 0.250693 0.497986 Li\n0.147078 0.292728 0.250128 Li\n0.017116 0.250800 0.749919 Li\n0.271780 0.207074 0.501887 Li\n0.272809 0.206076 0.746467 Li\n0.700747 0.397881 0.000026 Li\n0.677845 0.353599 0.247472 Li\n0.676738 0.341100 0.498304 Li\n0.793987 0.105660 0.002145 Li\n0.676924 0.341156 0.752620 Li\n0.752704 0.955920 0.496862 Li\n0.828310 0.103144 0.243065 Li\n0.752489 0.956674 0.754569 Li\n0.320001 0.115602 0.998439 Li\n0.276991 0.104263 0.256808 Li\n0.168738 0.893093 0.496889 Li\n0.167477 0.891181 0.753357 Li\n0.504574 0.010061 0.200413 B\n0.504863 0.010336 0.450331 B\n0.503956 0.008809 0.051486 B\n0.552124 0.882730 0.126472 B\n0.556151 0.889567 0.374825 B\n0.559798 0.895894 0.625608 B\n0.555836 0.889242 0.875025 B\n0.552320 0.677188 0.126175 B\n0.555517 0.683648 0.375367 B\n0.562853 0.692354 0.625657 B\n0.558394 0.684909 0.874904 B\n0.330475 0.881989 0.126233 B\n0.335666 0.889891 0.374006 B\n0.338334 0.896605 0.625399 B\n0.335319 0.889190 0.875887 B\n0.514265 0.517026 0.450700 B\n0.515484 0.519336 0.699747 B\n0.503181 0.508152 0.050771 B\n0.517381 0.521444 0.550841 B\n0.499196 0.505142 0.301467 B\n0.125940 0.674875 0.124780 B\n0.130353 0.684968 0.373158 B\n0.134482 0.691111 0.625383 B\n0.129718 0.684351 0.876067 B\n0.330660 0.455441 0.125245 B\n0.335361 0.463075 0.378832 B\n0.342176 0.470494 0.624814 B\n0.336613 0.463556 0.872169 B\n0.125597 0.454266 0.124927 B\n0.130375 0.464275 0.377425 B\n0.135468 0.470191 0.624640 B\n0.130712 0.463765 0.872768 B\n0.004719 0.499853 0.199721 B\n0.009207 0.520873 0.449785 B\n0.009400 0.511569 0.949194 B\n0.012374 0.520791 0.699491 B\n0.007715 0.507148 0.300659 B\n0.005800 0.506397 0.050265 B\n0.012064 0.522905 0.550495 B\n0.009066 0.516942 0.800210 B\n0.881068 0.553257 0.125184 B\n0.885103 0.562427 0.373052 B\n0.890069 0.568652 0.625566 B\n0.885380 0.561218 0.876194 B\n0.674062 0.553809 0.126051 B\n0.678970 0.561044 0.373543 B\n0.686078 0.569073 0.625727 B\n0.679544 0.561324 0.876669 B\n0.880081 0.331947 0.124513 B\n0.884980 0.341383 0.377049 B\n0.889501 0.347174 0.624798 B\n0.885749 0.339880 0.873798 B\n0.497503 0.501239 0.200510 B\n0.505311 0.512576 0.949446 B\n0.512022 0.514467 0.800093 B\n0.673370 0.128704 0.125664 B\n0.679650 0.135288 0.376986 B\n0.682860 0.141057 0.625289 B\n0.678997 0.134380 0.873658 B\n0.452002 0.332356 0.125086 B\n0.459163 0.340671 0.377373 B\n0.466423 0.349107 0.624911 B\n0.458439 0.340733 0.874365 B\n0.458531 0.135354 0.377188 B\n0.452233 0.127841 0.125783 B\n0.462188 0.142053 0.625094 B\n0.458029 0.134866 0.873744 B\n0.507622 0.016423 0.699730 B\n0.508148 0.013865 0.949148 B\n0.508868 0.015094 0.301215 B\n0.507343 0.014933 0.550820 B\n0.504671 0.011758 0.800419 B\n0.009053 0.016964 0.246000 O\n0.011538 0.011077 0.498683 O\n0.011608 0.010299 0.753016 O\n",
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"volume": 963.7807627582557,
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"formula_full": "Li26 B72 O3",
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"spacegroup": 1
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{
"id": "mp-1203103",
"created_at": "2022-09-04T14:48:09.972450Z",
"structure_string": "Nd24 Ga16\n1.0\n-6.028582 6.028582 7.743958\n6.028582 -6.028582 7.743958\n6.028582 6.028582 -7.743958\nNd Ga\n24 16\ndirect\n0.148552 0.648552 0.500000 Nd\n0.648552 0.148552 0.500000 Nd\n0.851448 0.351448 0.500000 Nd\n0.351448 0.851448 0.500000 Nd\n0.668318 0.168318 0.836635 Nd\n0.331682 0.831682 0.163365 Nd\n0.168318 0.331682 0.500000 Nd\n0.831682 0.668318 0.500000 Nd\n0.066444 0.931349 0.269877 Nd\n0.661472 0.796567 0.730123 Nd\n0.566444 0.296567 0.135095 Nd\n0.161472 0.431349 0.864905 Nd\n0.796567 0.066444 0.135095 Nd\n0.931349 0.661472 0.864905 Nd\n0.431349 0.566444 0.269877 Nd\n0.296567 0.161472 0.730123 Nd\n0.933556 0.068651 0.730123 Nd\n0.338528 0.203433 0.269877 Nd\n0.433556 0.703433 0.864905 Nd\n0.838528 0.568651 0.135095 Nd\n0.203433 0.933556 0.864905 Nd\n0.068651 0.338528 0.135095 Nd\n0.568651 0.433556 0.730123 Nd\n0.703433 0.838528 0.269877 Nd\n0.750000 0.750000 0.000000 Ga\n0.250000 0.250000 0.000000 Ga\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.000000 Ga\n0.115621 0.615621 0.731242 Ga\n0.884379 0.384379 0.268758 Ga\n0.615621 0.884379 0.500000 Ga\n0.384379 0.115621 0.500000 Ga\n0.879475 0.379475 0.856647 Ga\n0.522828 0.022828 0.143353 Ga\n0.379475 0.522828 0.500000 Ga\n0.022828 0.879475 0.500000 Ga\n0.120525 0.620525 0.143353 Ga\n0.477172 0.977172 0.856647 Ga\n0.620525 0.477172 0.500000 Ga\n0.977172 0.120525 0.500000 Ga\n",
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{
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"structure_string": "Ti4 Ga1 S8\n1.0\n0.000000 4.986121 4.986121\n4.986121 0.000000 4.986121\n4.986121 4.986121 0.000000\nTi Ga S\n4 1 8\ndirect\n0.611739 0.611739 0.164784 Ti\n0.611739 0.164784 0.611739 Ti\n0.164784 0.611739 0.611739 Ti\n0.611739 0.611739 0.611739 Ti\n0.000000 0.000000 0.000000 Ga\n0.373658 0.373658 0.879025 S\n0.373658 0.879025 0.373658 S\n0.879025 0.373658 0.373658 S\n0.373658 0.373658 0.373658 S\n0.866677 0.866677 0.399968 S\n0.866677 0.399968 0.866677 S\n0.399968 0.866677 0.866677 S\n0.866677 0.866677 0.866677 S\n",
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{
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{
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{
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"structure_string": "Ba2 Cu8 O14\n1.0\n3.198071 -5.539222 0.000000\n3.198071 5.539222 0.000000\n0.000000 0.000000 10.320569\nBa Cu O\n2 8 14\ndirect\n0.666667 0.333333 0.492516 Ba\n0.333333 0.666667 0.992516 Ba\n0.830374 0.169626 0.190141 Cu\n0.660748 0.830374 0.690141 Cu\n0.169626 0.339252 0.690141 Cu\n0.830374 0.660748 0.190141 Cu\n0.339252 0.169626 0.190141 Cu\n0.169626 0.830374 0.690141 Cu\n0.000000 0.000000 0.437385 Cu\n0.000000 0.000000 0.937385 Cu\n0.848335 0.151665 0.012545 O\n0.696671 0.848335 0.512545 O\n0.151665 0.303329 0.512545 O\n0.848335 0.696671 0.012545 O\n0.303329 0.151665 0.012545 O\n0.151665 0.848335 0.512545 O\n0.000000 0.000000 0.752722 O\n0.000000 0.000000 0.252722 O\n0.518687 0.481313 0.254456 O\n0.037375 0.518687 0.754456 O\n0.481313 0.962625 0.754456 O\n0.518687 0.037375 0.254456 O\n0.481313 0.518687 0.754456 O\n0.962625 0.481313 0.254456 O\n",
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{
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"elements": [
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{
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{
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"structure_string": "Na1 Bi1 S2\n1.0\n4.088437 0.000000 0.000000\n0.000000 4.088437 0.000000\n0.000000 0.000000 5.567726\nNa Bi S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
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}