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{
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"results": [
{
"id": "mp-555616",
"created_at": "2022-09-04T14:44:51.490304Z",
"structure_string": "Ca1 Nb2 Bi2 O9\n1.0\n-1.959629 1.959629 13.558278\n1.959629 -1.959629 13.558278\n1.959629 1.959629 -13.558278\nCa Nb Bi O\n1 2 2 9\ndirect\n0.500000 0.500000 0.000000 Ca\n0.927530 0.927530 0.000000 Nb\n0.072470 0.072470 0.000000 Nb\n0.203237 0.203237 0.000000 Bi\n0.796763 0.796763 0.000000 Bi\n0.429942 0.929942 0.500000 O\n0.329095 0.329095 0.000000 O\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n0.929942 0.429942 0.500000 O\n0.570058 0.070058 0.500000 O\n0.070058 0.570058 0.500000 O\n0.670905 0.670905 0.000000 O\n0.000000 0.000000 0.000000 O\n",
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"formula_full": "Ca1 Nb2 Bi2 O9",
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"spacegroup": 139
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{
"id": "mp-646612",
"created_at": "2022-09-04T14:44:51.664130Z",
"structure_string": "Na4 Ce4 Ga16 Se32\n1.0\n12.048010 0.010847 -3.324618\n-6.982031 9.818652 -3.324618\n0.005704 0.011067 12.540606\nNa Ce Ga Se\n4 4 16 32\ndirect\n0.621964 0.871964 0.743928 Na\n0.128036 0.378036 0.756072 Na\n0.871964 0.621964 0.243928 Na\n0.378036 0.128036 0.256072 Na\n0.375000 0.625000 0.250000 Ce\n0.125000 0.875000 0.750000 Ce\n0.875000 0.125000 0.250000 Ce\n0.625000 0.375000 0.750000 Ce\n0.388410 0.868363 0.004524 Ga\n0.611590 0.131637 0.995475 Ga\n0.360532 0.470575 0.498905 Ga\n0.361627 0.971671 0.501095 Ga\n0.131637 0.611590 0.495476 Ga\n0.638373 0.028329 0.498905 Ga\n0.529425 0.639468 0.001095 Ga\n0.470575 0.360532 0.998905 Ga\n0.639468 0.529425 0.501095 Ga\n0.868363 0.388410 0.504525 Ga\n0.136162 0.116115 0.504525 Ga\n0.863838 0.883885 0.495476 Ga\n0.883885 0.863838 0.995475 Ga\n0.971671 0.361627 0.001095 Ga\n0.028329 0.638373 0.998905 Ga\n0.116115 0.136162 0.004524 Ga\n0.909272 0.412430 0.826328 Se\n0.657485 0.342510 0.995864 Se\n0.346647 0.161621 0.504136 Se\n0.587570 0.090728 0.673672 Se\n0.657490 0.342515 0.504136 Se\n0.089732 0.593692 0.672895 Se\n0.916837 0.920797 0.327105 Se\n0.593692 0.089732 0.172895 Se\n0.817046 0.149191 0.998105 Se\n0.586102 0.582944 0.673672 Se\n0.182954 0.850809 0.001895 Se\n0.161621 0.346647 0.004136 Se\n0.850809 0.182954 0.501895 Se\n0.318941 0.151087 0.001895 Se\n0.406308 0.910268 0.827105 Se\n0.413898 0.417056 0.326328 Se\n0.417056 0.413898 0.826328 Se\n0.090728 0.587570 0.173672 Se\n0.582944 0.586102 0.173672 Se\n0.838379 0.653353 0.995864 Se\n0.079203 0.083163 0.172895 Se\n0.083163 0.079203 0.672895 Se\n0.342510 0.657485 0.495864 Se\n0.910268 0.406308 0.327105 Se\n0.342515 0.657490 0.004136 Se\n0.681059 0.848913 0.998105 Se\n0.151087 0.318941 0.501895 Se\n0.920797 0.916837 0.827105 Se\n0.848913 0.681059 0.498105 Se\n0.412430 0.909272 0.326328 Se\n0.653353 0.838379 0.495864 Se\n0.149191 0.817046 0.498105 Se\n",
"nsites": 56,
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"elements": [
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"Ga",
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],
"chemical_system": "Ce-Ga-Na-Se",
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"density_atomic": 0.03770206861965313,
"volume": 1485.3296397325164,
"volume_molar": 15.972971724052327,
"formula_full": "Na4 Ce4 Ga16 Se32",
"formula_reduced": "NaCe(GaSe2)4",
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"energy": -254.4646234,
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"spacegroup": 70
},
{
"id": "mp-1176079",
"created_at": "2022-09-04T14:44:51.177130Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n3.025944 0.000000 0.000000\n0.565228 9.806090 0.000000\n0.278015 2.283094 9.849988\nLi Mn Co O\n9 2 5 16\ndirect\n0.002076 0.749801 0.874259 Li\n0.499604 0.499301 0.501706 Li\n0.997298 0.249707 0.126709 Li\n0.499595 0.998917 0.742632 Li\n0.499538 0.501099 0.997765 Li\n0.995794 0.250317 0.621787 Li\n0.499133 0.001594 0.257116 Li\n0.004820 0.749239 0.377440 Li\n0.000024 0.999322 0.500258 Li\n0.005846 0.998545 0.999259 Mn\n0.997867 0.498808 0.251505 Mn\n0.500521 0.760574 0.621846 Co\n0.502279 0.252089 0.872588 Co\n0.500982 0.749448 0.126022 Co\n0.000782 0.503565 0.748278 Co\n0.492603 0.238292 0.379533 Co\n0.473449 0.872384 0.949475 O\n0.968811 0.625523 0.573477 O\n0.473266 0.369199 0.204267 O\n0.020144 0.125488 0.819851 O\n0.968938 0.626426 0.072302 O\n0.511501 0.375912 0.697169 O\n0.973834 0.133850 0.318557 O\n0.497676 0.859968 0.455163 O\n0.483987 0.629805 0.795610 O\n0.024346 0.372606 0.428039 O\n0.535516 0.127982 0.050884 O\n0.019782 0.864787 0.682308 O\n0.987094 0.380016 0.927003 O\n0.504643 0.138516 0.545776 O\n0.030925 0.871702 0.179244 O\n0.527324 0.625218 0.302175 O\n",
"nsites": 32,
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"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.107672514549443,
"density_atomic": 0.10948572929776164,
"volume": 292.27553403760555,
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"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
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"updated_at": "2021-11-28T01:36:44.609000Z",
"spacegroup": 1
},
{
"id": "mp-5048",
"created_at": "2022-09-04T14:44:51.263633Z",
"structure_string": "Li2 Ga2 Te4\n1.0\n-3.204231 3.204231 6.004593\n3.204231 -3.204231 6.004593\n3.204231 3.204231 -6.004593\nLi Ga Te\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Li\n0.250000 0.750000 0.500000 Li\n0.000000 0.000000 0.000000 Ga\n0.750000 0.250000 0.500000 Ga\n0.639691 0.625000 0.514691 Te\n0.375000 0.889691 0.014691 Te\n0.875000 0.360309 0.985309 Te\n0.110309 0.125000 0.485309 Te\n",
"nsites": 8,
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"elements": [
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"Ga",
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],
"chemical_system": "Ga-Li-Te",
"density": 4.469387747889063,
"density_atomic": 0.03244133999241699,
"volume": 246.59893832591263,
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"formula_full": "Li2 Ga2 Te4",
"formula_reduced": "LiGaTe2",
"formula_anonymous": "ABC2",
"energy": -29.16494782,
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"updated_at": "2021-11-28T01:36:45.265000Z",
"spacegroup": 122
},
{
"id": "mp-557081",
"created_at": "2022-09-04T14:44:51.366584Z",
"structure_string": "Ba14 Cr14 O42\n1.0\n2.870347 -4.971587 0.000000\n2.870347 4.971587 0.000000\n0.000000 0.000000 32.846124\nBa Cr O\n14 14 42\ndirect\n0.000000 0.000000 0.605833 Ba\n0.000000 0.000000 0.105833 Ba\n0.333333 0.666667 0.321158 Ba\n0.666667 0.333333 0.678842 Ba\n0.000000 0.000000 0.394167 Ba\n0.333333 0.666667 0.039017 Ba\n0.333333 0.666667 0.178842 Ba\n0.666667 0.333333 0.539017 Ba\n0.666667 0.333333 0.960983 Ba\n0.666667 0.333333 0.821158 Ba\n0.666667 0.333333 0.250000 Ba\n0.000000 0.000000 0.894167 Ba\n0.333333 0.666667 0.460983 Ba\n0.333333 0.666667 0.750000 Ba\n0.333333 0.666667 0.645512 Cr\n0.666667 0.333333 0.354488 Cr\n0.333333 0.666667 0.565120 Cr\n0.666667 0.333333 0.434880 Cr\n0.000000 0.000000 0.209982 Cr\n0.000000 0.000000 0.290018 Cr\n0.666667 0.333333 0.145512 Cr\n0.000000 0.000000 0.709982 Cr\n0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.790018 Cr\n0.333333 0.666667 0.934880 Cr\n0.666667 0.333333 0.065120 Cr\n0.333333 0.666667 0.854488 Cr\n0.000000 0.000000 0.000000 Cr\n0.294034 0.147017 0.750000 O\n0.852983 0.705966 0.750000 O\n0.329052 0.164526 0.321805 O\n0.852983 0.147017 0.750000 O\n0.479644 0.520356 0.606471 O\n0.169962 0.339925 0.534742 O\n0.164526 0.329052 0.821805 O\n0.959287 0.479644 0.106471 O\n0.040713 0.520356 0.606471 O\n0.479644 0.959287 0.893529 O\n0.147017 0.294034 0.250000 O\n0.339925 0.169962 0.034742 O\n0.169962 0.830038 0.965258 O\n0.329052 0.164526 0.178195 O\n0.830038 0.169962 0.465258 O\n0.660075 0.830038 0.965258 O\n0.670948 0.835474 0.821805 O\n0.164526 0.835474 0.678195 O\n0.040713 0.520356 0.893529 O\n0.164526 0.835474 0.821805 O\n0.830038 0.169962 0.034742 O\n0.660075 0.830038 0.534742 O\n0.169962 0.830038 0.534742 O\n0.835474 0.670948 0.178195 O\n0.959287 0.479644 0.393529 O\n0.479644 0.959287 0.606471 O\n0.339925 0.169962 0.465258 O\n0.520356 0.040713 0.393529 O\n0.164526 0.329052 0.678195 O\n0.520356 0.479644 0.106471 O\n0.705966 0.852983 0.250000 O\n0.147017 0.852983 0.250000 O\n0.830038 0.660075 0.034742 O\n0.830038 0.660075 0.465258 O\n0.169962 0.339925 0.965258 O\n0.520356 0.479644 0.393529 O\n0.835474 0.164526 0.178195 O\n0.670948 0.835474 0.678195 O\n0.479644 0.520356 0.893529 O\n0.835474 0.670948 0.321805 O\n0.835474 0.164526 0.321805 O\n0.520356 0.040713 0.106471 O\n",
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"formula_full": "Ba14 Cr14 O42",
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"updated_at": "2021-11-28T01:36:41.927000Z",
"spacegroup": 194
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{
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"structure_string": "La2 F6\n1.0\n4.198685 0.000000 0.000000\n0.000000 4.663932 0.000000\n0.000000 0.000000 5.332495\nLa F\n2 6\ndirect\n0.500000 0.275539 0.000000 La\n0.000000 0.724461 0.500000 La\n0.000000 0.171669 0.251470 F\n0.000000 0.171669 0.748530 F\n0.500000 0.828331 0.248530 F\n0.500000 0.828331 0.751470 F\n0.000000 0.612134 0.000000 F\n0.500000 0.387866 0.500000 F\n",
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{
"id": "mp-1179059",
"created_at": "2022-09-04T14:44:51.536587Z",
"structure_string": "Te2 Mo12\n1.0\n2.679329 -8.902752 0.000000\n2.679329 8.902752 0.000000\n0.000000 0.000000 5.337232\nTe Mo\n2 12\ndirect\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.250851 0.749149 0.000000 Mo\n0.249149 0.750851 0.500000 Mo\n0.749149 0.250851 0.000000 Mo\n0.750851 0.249149 0.500000 Mo\n0.301876 0.050031 0.261612 Mo\n0.550031 0.801876 0.238388 Mo\n0.198124 0.449969 0.761612 Mo\n0.949969 0.698124 0.738388 Mo\n0.698124 0.949969 0.738388 Mo\n0.449969 0.198124 0.761612 Mo\n0.801876 0.550031 0.238388 Mo\n0.050031 0.301876 0.261612 Mo\n",
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"volume": 254.62227679986563,
"volume_molar": 10.95265136800338,
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{
"id": "mp-754032",
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"structure_string": "Li8 Ni4 P8 O28\n1.0\n-0.000024 4.998339 -0.000225\n-8.808635 -0.001308 0.338983\n-1.363765 2.501089 12.850973\nLi Ni P O\n8 4 8 28\ndirect\n0.238243 0.436485 0.408723 Li\n0.738274 0.936576 0.408611 Li\n0.900946 0.311792 0.091703 Li\n0.401090 0.811827 0.091565 Li\n0.602546 0.184788 0.908385 Li\n0.102741 0.684873 0.908458 Li\n0.261288 0.064478 0.591641 Li\n0.761311 0.564234 0.591486 Li\n0.250086 0.750697 0.499790 Ni\n0.001926 0.998311 0.000086 Ni\n0.750302 0.250428 0.500356 Ni\n0.501553 0.498398 0.000202 Ni\n0.224000 0.390304 0.630369 P\n0.723801 0.890307 0.630039 P\n0.102840 0.358664 0.870415 P\n0.603426 0.858638 0.870160 P\n0.400218 0.137743 0.130233 P\n0.900275 0.637754 0.130196 P\n0.276735 0.110169 0.370195 P\n0.776719 0.610125 0.370137 P\n0.067829 0.374566 0.750350 O\n0.568291 0.874177 0.750128 O\n0.434068 0.122506 0.250511 O\n0.934090 0.622516 0.250453 O\n0.284760 0.492893 0.881934 O\n0.785178 0.992841 0.881706 O\n0.417305 0.256108 0.619267 O\n0.916751 0.756075 0.618323 O\n0.084345 0.244898 0.380695 O\n0.584443 0.744892 0.380589 O\n0.219834 0.003080 0.118529 O\n0.719732 0.503060 0.118527 O\n0.807538 0.368493 0.928072 O\n0.308205 0.868426 0.927820 O\n0.987929 0.380142 0.572108 O\n0.487376 0.880461 0.571920 O\n0.512729 0.120402 0.428539 O\n0.012697 0.620282 0.428423 O\n0.695375 0.128316 0.072507 O\n0.195372 0.628345 0.072491 O\n0.628597 0.453101 0.401465 O\n0.128743 0.953187 0.401401 O\n0.284216 0.294952 0.099283 O\n0.784281 0.794881 0.099212 O\n0.218817 0.201235 0.901065 O\n0.719526 0.701084 0.900819 O\n0.870022 0.047924 0.599744 O\n0.370025 0.547987 0.599761 O\n",
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{
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{
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{
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}