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{
"id": "mp-1442788",
"created_at": "2022-09-04T14:40:12.384162Z",
"structure_string": "Al2 Co4 O8\n1.0\n0.000000 4.135023 4.135023\n4.135023 0.000000 4.135023\n4.135023 4.135023 0.000000\nAl Co O\n2 4 8\ndirect\n0.750000 0.750000 0.750000 Al\n0.500000 0.500000 0.500000 Al\n0.125000 0.125000 0.625000 Co\n0.125000 0.125000 0.125000 Co\n0.125000 0.625000 0.125000 Co\n0.625000 0.125000 0.125000 Co\n0.875985 0.372044 0.875985 O\n0.877956 0.374015 0.374015 O\n0.374015 0.374015 0.877956 O\n0.374015 0.374015 0.374015 O\n0.372044 0.875985 0.875985 O\n0.374015 0.877956 0.374015 O\n0.875985 0.875985 0.372044 O\n0.875985 0.875985 0.875985 O\n",
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{
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"formula_full": "Ba6 Cr4 N8",
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},
{
"id": "mp-1186847",
"created_at": "2022-09-04T14:40:12.396870Z",
"structure_string": "Pu1 Pa3\n1.0\n-2.260064 2.260064 4.588376\n2.260064 -2.260064 4.588376\n2.260064 2.260064 -4.588376\nPu Pa\n1 3\ndirect\n0.000000 0.000000 0.000000 Pu\n0.750000 0.250000 0.500000 Pa\n0.250000 0.750000 0.500000 Pa\n0.500000 0.500000 0.000000 Pa\n",
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{
"id": "mp-777181",
"created_at": "2022-09-04T14:40:12.407328Z",
"structure_string": "Ti4 Nb2 P6 O24\n1.0\n7.504765 -4.360113 0.000000\n7.504765 4.360113 0.000000\n4.971630 0.000000 7.114421\nTi Nb P O\n4 2 6 24\ndirect\n0.143629 0.143629 0.143629 Ti\n0.356371 0.356371 0.356371 Ti\n0.643629 0.643629 0.643629 Ti\n0.856371 0.856371 0.856371 Ti\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Nb\n0.540447 0.250000 0.959553 P\n0.959553 0.540447 0.250000 P\n0.250000 0.959553 0.540447 P\n0.750000 0.040447 0.459553 P\n0.040447 0.459553 0.750000 P\n0.459553 0.750000 0.040447 P\n0.310392 0.116624 0.502728 O\n0.502728 0.310392 0.116624 O\n0.912738 0.058855 0.264954 O\n0.116624 0.502728 0.310392 O\n0.810392 0.002728 0.616624 O\n0.587262 0.235046 0.441145 O\n0.058855 0.264954 0.912738 O\n0.235046 0.441145 0.587262 O\n0.383376 0.189608 0.997272 O\n0.441145 0.587262 0.235046 O\n0.735046 0.087262 0.941145 O\n0.997272 0.383376 0.189608 O\n0.002728 0.616624 0.810392 O\n0.264954 0.912738 0.058855 O\n0.558855 0.412738 0.764954 O\n0.616624 0.810392 0.002728 O\n0.764954 0.558855 0.412738 O\n0.941145 0.735046 0.087262 O\n0.412738 0.764954 0.558855 O\n0.189608 0.997272 0.383376 O\n0.883376 0.497272 0.689608 O\n0.087262 0.941145 0.735046 O\n0.497272 0.689608 0.883376 O\n0.689608 0.883376 0.497272 O\n",
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"spacegroup": 167
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{
"id": "mp-17031",
"created_at": "2022-09-04T14:40:12.336170Z",
"structure_string": "K4 Al4 P8 O28\n1.0\n9.782077 0.000000 0.000000\n0.000000 7.453398 0.000000\n0.000000 2.401432 7.800870\nK Al P O\n4 4 8 28\ndirect\n0.817951 0.180916 0.441827 K\n0.317951 0.819084 0.058173 K\n0.182049 0.819084 0.558173 K\n0.682049 0.180916 0.941827 K\n0.100424 0.238526 0.740633 Al\n0.600424 0.761474 0.759367 Al\n0.899576 0.761474 0.259367 Al\n0.399576 0.238526 0.240633 Al\n0.403013 0.126426 0.668648 P\n0.903013 0.873574 0.831352 P\n0.596987 0.873574 0.331352 P\n0.096987 0.126426 0.168648 P\n0.130783 0.434174 0.311667 P\n0.630783 0.565826 0.188333 P\n0.869217 0.565826 0.688333 P\n0.369217 0.434174 0.811667 P\n0.280850 0.442828 0.254287 O\n0.780850 0.557172 0.245713 O\n0.719150 0.557172 0.745713 O\n0.219150 0.442828 0.754287 O\n0.999110 0.977680 0.275554 O\n0.499110 0.022320 0.224446 O\n0.000890 0.022320 0.724446 O\n0.500890 0.977680 0.775554 O\n0.104237 0.322599 0.496945 O\n0.604237 0.677401 0.003055 O\n0.895763 0.677401 0.503055 O\n0.395763 0.322599 0.996945 O\n0.091951 0.150170 0.979570 O\n0.591951 0.849830 0.520430 O\n0.908049 0.849830 0.020430 O\n0.408049 0.150170 0.479570 O\n0.046747 0.323215 0.197313 O\n0.546747 0.676785 0.302687 O\n0.953253 0.676785 0.802687 O\n0.453253 0.323215 0.697313 O\n0.259049 0.085524 0.745240 O\n0.759049 0.914476 0.754760 O\n0.740951 0.914476 0.254760 O\n0.240951 0.085524 0.245240 O\n0.430582 0.631228 0.761291 O\n0.930582 0.368772 0.738709 O\n0.569418 0.368772 0.238709 O\n0.069418 0.631228 0.261291 O\n",
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"formula_full": "K4 Al4 P8 O28",
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{
"id": "mp-1073134",
"created_at": "2022-09-04T14:40:12.358406Z",
"structure_string": "Mg8 Si12\n1.0\n3.793340 0.000000 0.000000\n-0.957090 5.867899 0.000000\n-0.625491 -1.041384 16.866731\nMg Si\n8 12\ndirect\n0.465546 0.897905 0.785282 Mg\n0.200306 0.222881 0.194681 Mg\n0.595331 0.197031 0.942651 Mg\n0.046760 0.908759 0.053331 Mg\n0.085335 0.664297 0.291469 Mg\n0.552985 0.441127 0.713087 Mg\n0.967475 0.430299 0.458560 Mg\n0.432629 0.124496 0.554720 Mg\n0.453143 0.694191 0.946256 Si\n0.224372 0.431098 0.048829 Si\n0.918337 0.609405 0.857857 Si\n0.762476 0.521020 0.135681 Si\n0.783801 0.052230 0.326155 Si\n0.967599 0.114539 0.681200 Si\n0.877616 0.891814 0.455532 Si\n0.550585 0.652004 0.556202 Si\n0.369293 0.306619 0.344888 Si\n0.082197 0.734324 0.643365 Si\n0.055040 0.227801 0.822532 Si\n0.609071 0.878143 0.187832 Si\n",
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{
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"structure_string": "Er24 Cd12 Se48\n1.0\n4.158076 -7.202000 0.000000\n4.158076 7.202000 0.000000\n0.000000 0.000000 40.663489\nEr Cd Se\n24 12 48\ndirect\n0.333333 0.666667 0.000631 Er\n0.672369 0.836185 0.896178 Er\n0.163815 0.327631 0.896178 Er\n0.163815 0.836185 0.896178 Er\n0.004029 0.502014 0.729212 Er\n0.497986 0.995971 0.729212 Er\n0.666667 0.333333 0.834411 Er\n0.333325 0.166663 0.562533 Er\n0.497986 0.502014 0.729212 Er\n0.833337 0.666675 0.562533 Er\n0.666667 0.333333 0.646063 Er\n0.833337 0.166663 0.562533 Er\n0.666705 0.833352 0.395859 Er\n0.000000 0.000000 0.479205 Er\n0.166648 0.333295 0.395859 Er\n0.166648 0.833352 0.395859 Er\n0.000005 0.500002 0.229232 Er\n0.333333 0.666667 0.312557 Er\n0.499998 0.999995 0.229232 Er\n0.499998 0.500002 0.229232 Er\n0.334743 0.167372 0.062779 Er\n0.666667 0.333333 0.146119 Er\n0.832628 0.665257 0.062779 Er\n0.832628 0.167372 0.062779 Er\n0.666667 0.333333 0.957278 Cd\n0.000000 0.000000 0.790238 Cd\n0.000000 0.000000 0.977375 Cd\n0.333333 0.666667 0.624670 Cd\n0.333333 0.666667 0.810951 Cd\n0.333333 0.666667 0.500068 Cd\n0.666667 0.333333 0.458311 Cd\n0.000000 0.000000 0.666912 Cd\n0.000000 0.000000 0.166764 Cd\n0.000000 0.000000 0.291689 Cd\n0.333333 0.666667 0.125241 Cd\n0.666667 0.333333 0.333444 Cd\n0.842668 0.157332 0.936141 Se\n0.842668 0.685336 0.936141 Se\n0.000000 0.000000 0.857521 Se\n0.314664 0.157332 0.936141 Se\n0.021719 0.510859 0.855940 Se\n0.176223 0.823777 0.769220 Se\n0.489141 0.978281 0.855940 Se\n0.333333 0.666667 0.933736 Se\n0.176223 0.352446 0.769220 Se\n0.333333 0.666667 0.690900 Se\n0.489141 0.510859 0.855940 Se\n0.647554 0.823777 0.769220 Se\n0.510162 0.489838 0.602841 Se\n0.354185 0.177093 0.688830 Se\n0.822907 0.645815 0.688830 Se\n0.666667 0.333333 0.767168 Se\n0.510162 0.020323 0.602841 Se\n0.666667 0.333333 0.524617 Se\n0.822907 0.177093 0.688830 Se\n0.979677 0.489838 0.602841 Se\n0.687006 0.843503 0.522054 Se\n0.843453 0.156547 0.436192 Se\n0.156497 0.312994 0.522054 Se\n0.000000 0.000000 0.600402 Se\n0.843453 0.686906 0.436192 Se\n0.000000 0.000000 0.357942 Se\n0.156497 0.843503 0.522054 Se\n0.313094 0.156547 0.436192 Se\n0.020336 0.510168 0.355386 Se\n0.176791 0.823209 0.269506 Se\n0.333333 0.666667 0.433675 Se\n0.176791 0.353581 0.269506 Se\n0.489832 0.979664 0.355386 Se\n0.333333 0.666667 0.191315 Se\n0.489832 0.510168 0.355386 Se\n0.646419 0.823209 0.269506 Se\n0.353609 0.176805 0.188727 Se\n0.510052 0.489948 0.103061 Se\n0.666667 0.333333 0.267002 Se\n0.823195 0.646391 0.188727 Se\n0.510052 0.020104 0.103061 Se\n0.666667 0.333333 0.024605 Se\n0.823195 0.176805 0.188727 Se\n0.979896 0.489948 0.103061 Se\n0.687251 0.843625 0.022584 Se\n0.156375 0.312749 0.022584 Se\n0.000000 0.000000 0.100372 Se\n0.156375 0.843625 0.022584 Se\n",
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"formula_full": "Er24 Cd12 Se48",
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{
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"created_at": "2022-09-04T14:40:12.420483Z",
"structure_string": "Al1 Cu3 Ag4 O12\n1.0\n-3.853352 3.853352 3.853352\n3.853352 -3.853352 3.853352\n3.853352 3.853352 -3.853352\nAl Cu Ag O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Ag\n0.000000 0.500000 0.000000 Ag\n0.500000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.308986 0.153624 0.844638 O\n0.691014 0.846376 0.155362 O\n0.691014 0.535652 0.844638 O\n0.464348 0.155362 0.308986 O\n0.155362 0.308986 0.464348 O\n0.844638 0.308986 0.153624 O\n0.846376 0.155362 0.691014 O\n0.844638 0.691014 0.535652 O\n0.308986 0.464348 0.155362 O\n0.535652 0.844638 0.691014 O\n0.155362 0.691014 0.846376 O\n0.153624 0.844638 0.308986 O\n",
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{
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"structure_string": "Ca1 Tm1 Cd2\n1.0\n0.000000 3.760219 3.760219\n3.760219 0.000000 3.760219\n3.760219 3.760219 0.000000\nCa Tm Cd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Tm\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n",
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