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{
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"results": [
{
"id": "mp-1194800",
"created_at": "2022-09-04T14:41:53.326107Z",
"structure_string": "Eu8 Mo12 O48\n1.0\n10.614154 0.000000 0.000000\n0.000000 10.620313 0.000000\n0.000000 0.000000 10.843197\nEu Mo O\n8 12 48\ndirect\n0.689560 0.002570 0.735867 Eu\n0.310440 0.997430 0.735867 Eu\n0.810440 0.502570 0.735867 Eu\n0.189560 0.497430 0.735867 Eu\n0.993763 0.190580 0.264162 Eu\n0.006237 0.809420 0.264162 Eu\n0.506237 0.690580 0.264162 Eu\n0.493763 0.309420 0.264162 Eu\n0.706809 0.012534 0.356262 Mo\n0.293191 0.987466 0.356262 Mo\n0.793191 0.512534 0.356262 Mo\n0.206809 0.487466 0.356262 Mo\n0.502675 0.292629 0.643602 Mo\n0.497325 0.707371 0.643602 Mo\n0.997325 0.792629 0.643602 Mo\n0.002675 0.207371 0.643602 Mo\n0.742082 0.257085 0.000343 Mo\n0.257918 0.742915 0.000343 Mo\n0.757918 0.757085 0.000343 Mo\n0.242082 0.242915 0.000343 Mo\n0.694890 0.015533 0.520468 O\n0.305110 0.984467 0.520468 O\n0.805110 0.515533 0.520468 O\n0.194890 0.484467 0.520468 O\n0.654699 0.162811 0.302457 O\n0.345301 0.837189 0.302457 O\n0.845301 0.662811 0.302457 O\n0.154699 0.337189 0.302457 O\n0.628672 0.494585 0.310211 O\n0.371328 0.505415 0.310211 O\n0.871328 0.994585 0.310211 O\n0.128672 0.005415 0.310211 O\n0.883902 0.386148 0.294600 O\n0.116098 0.613852 0.294600 O\n0.616098 0.886148 0.294600 O\n0.383902 0.113852 0.294600 O\n0.656230 0.349509 0.681214 O\n0.343770 0.650491 0.681214 O\n0.843770 0.849509 0.681214 O\n0.156230 0.150491 0.681214 O\n0.978861 0.197470 0.480750 O\n0.021139 0.802530 0.480750 O\n0.521139 0.697470 0.480750 O\n0.478861 0.302530 0.480750 O\n0.882818 0.118908 0.719051 O\n0.117182 0.881092 0.719051 O\n0.617182 0.618908 0.719051 O\n0.382818 0.381092 0.719051 O\n0.993928 0.371929 0.693000 O\n0.006072 0.628071 0.693000 O\n0.506072 0.871929 0.693000 O\n0.493928 0.128071 0.693000 O\n0.619170 0.323741 0.093007 O\n0.380830 0.676259 0.093007 O\n0.880830 0.823741 0.093007 O\n0.119170 0.176259 0.093007 O\n0.815027 0.379951 0.912163 O\n0.184973 0.620049 0.912163 O\n0.684973 0.879951 0.912163 O\n0.315027 0.120049 0.912163 O\n0.853886 0.181430 0.099658 O\n0.146114 0.818570 0.099658 O\n0.646114 0.681430 0.099658 O\n0.353886 0.318570 0.099658 O\n0.674297 0.145997 0.895488 O\n0.325703 0.854003 0.895488 O\n0.825703 0.645997 0.895488 O\n0.174297 0.354003 0.895488 O\n",
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"elements": [
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"formula_full": "Eu8 Mo12 O48",
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"formula_anonymous": "A2B3C12",
"energy": -584.19670852,
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"updated_at": "2021-11-28T01:35:30.430000Z",
"spacegroup": 32
},
{
"id": "mp-1101128",
"created_at": "2022-09-04T14:44:20.939738Z",
"structure_string": "Ti16 Fe8 O40\n1.0\n3.756751 -0.274067 -0.000865\n-3.026298 10.203976 -0.133437\n-0.003915 -0.174419 20.570192\nTi Fe O\n16 8 40\ndirect\n0.136286 0.633259 0.222706 Ti\n0.128630 0.631479 0.716791 Ti\n0.132132 0.632116 0.532779 Ti\n0.136144 0.640677 0.035720 Ti\n0.131817 0.133167 0.716139 Ti\n0.138857 0.136974 0.030825 Ti\n0.121924 0.126367 0.534697 Ti\n0.184533 0.185612 0.373525 Ti\n0.863856 0.859323 0.464280 Ti\n0.867868 0.867884 0.967221 Ti\n0.863714 0.866741 0.277294 Ti\n0.871371 0.868521 0.783209 Ti\n0.815467 0.314388 0.126475 Ti\n0.878076 0.373633 0.965303 Ti\n0.861143 0.363026 0.469175 Ti\n0.868183 0.366833 0.783861 Ti\n0.189111 0.689703 0.375093 Fe\n0.196746 0.694161 0.875644 Fe\n0.138622 0.138851 0.218745 Fe\n0.192281 0.193563 0.874796 Fe\n0.810889 0.810297 0.124907 Fe\n0.803254 0.805839 0.624356 Fe\n0.807719 0.306437 0.625204 Fe\n0.861378 0.361149 0.281255 Fe\n0.037229 0.536471 0.443148 O\n0.060748 0.555331 0.302054 O\n0.060854 0.546262 0.942803 O\n0.056196 0.547342 0.804973 O\n0.212987 0.712242 0.121073 O\n0.201150 0.702295 0.624000 O\n0.311861 0.810436 0.473247 O\n0.315096 0.816981 0.280556 O\n0.318785 0.819061 0.971917 O\n0.315888 0.815086 0.780155 O\n0.031015 0.036975 0.317677 O\n0.056044 0.042812 0.445436 O\n0.057330 0.046356 0.805755 O\n0.051990 0.048921 0.945236 O\n0.260793 0.260620 0.112763 O\n0.206406 0.204707 0.626742 O\n0.295006 0.293287 0.299575 O\n0.315528 0.315651 0.778744 O\n0.308389 0.309539 0.464592 O\n0.317637 0.316200 0.968743 O\n0.684904 0.683019 0.219444 O\n0.684112 0.684914 0.719845 O\n0.688139 0.689564 0.026753 O\n0.681215 0.680939 0.528083 O\n0.787013 0.787758 0.378927 O\n0.798850 0.797705 0.876000 O\n0.962771 0.963529 0.056852 O\n0.939252 0.944669 0.197946 O\n0.939146 0.953738 0.557197 O\n0.943804 0.952658 0.695027 O\n0.704994 0.206713 0.200425 O\n0.684472 0.184349 0.721256 O\n0.691611 0.190461 0.035408 O\n0.682363 0.183800 0.531257 O\n0.739207 0.239380 0.387237 O\n0.793594 0.295293 0.873258 O\n0.943956 0.457188 0.054564 O\n0.968985 0.463025 0.182323 O\n0.942670 0.453644 0.694245 O\n0.948010 0.451079 0.554764 O\n",
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"elements": [
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"Fe",
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"density": 3.9880608610392176,
"density_atomic": 0.08296771296826826,
"volume": 771.3844061783091,
"volume_molar": 7.258414803241861,
"formula_full": "Ti16 Fe8 O40",
"formula_reduced": "Ti2FeO5",
"formula_anonymous": "AB2C5",
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"updated_at": "2021-11-28T01:36:32.609000Z",
"spacegroup": 2
},
{
"id": "mp-1200641",
"created_at": "2022-09-04T14:43:08.407480Z",
"structure_string": "Cu4 H36 C16 N12 O24\n1.0\n8.973218 0.000000 0.000000\n0.000000 9.249352 0.000000\n0.000000 0.000000 11.478313\nCu H C N O\n4 36 16 12 24\ndirect\n0.497537 0.501361 0.498485 Cu\n0.502463 0.498639 0.998485 Cu\n0.002463 0.001361 0.998485 Cu\n0.997537 0.998639 0.498485 Cu\n0.190840 0.664845 0.462615 H\n0.809160 0.335155 0.962615 H\n0.309160 0.164845 0.962615 H\n0.690840 0.835155 0.462615 H\n0.508762 0.577130 0.747689 H\n0.491238 0.422870 0.247689 H\n0.991238 0.077130 0.247689 H\n0.008762 0.922870 0.747689 H\n0.631960 0.193551 0.519423 H\n0.368040 0.806449 0.019423 H\n0.868040 0.693551 0.019423 H\n0.131960 0.306449 0.519423 H\n0.583630 0.802322 0.801742 H\n0.416370 0.197678 0.301742 H\n0.916370 0.302322 0.301742 H\n0.083630 0.697678 0.801742 H\n0.452028 0.798332 0.686049 H\n0.547972 0.201668 0.186049 H\n0.047972 0.298332 0.186049 H\n0.952028 0.701668 0.686049 H\n0.672805 0.022888 0.867358 H\n0.327195 0.977112 0.367358 H\n0.827195 0.522888 0.367358 H\n0.172805 0.477112 0.867358 H\n0.581309 0.184413 0.824673 H\n0.418691 0.815587 0.324673 H\n0.918691 0.684413 0.324673 H\n0.081309 0.315587 0.824673 H\n0.339849 0.008406 0.626146 H\n0.660151 0.991594 0.126146 H\n0.160151 0.508406 0.126146 H\n0.839849 0.491594 0.626146 H\n0.412287 0.178483 0.672111 H\n0.587713 0.821517 0.172111 H\n0.087713 0.678483 0.172111 H\n0.912287 0.321517 0.672111 H\n0.260645 0.720398 0.528791 C\n0.739355 0.279602 0.028791 C\n0.239355 0.220398 0.028791 C\n0.760645 0.779602 0.528791 C\n0.506504 0.458461 0.747575 C\n0.493496 0.541539 0.247575 C\n0.993496 0.958461 0.247575 C\n0.006504 0.041539 0.747575 C\n0.704338 0.257063 0.460228 C\n0.295662 0.742937 0.960228 C\n0.795662 0.757063 0.960228 C\n0.204338 0.242937 0.460228 C\n0.506687 0.999689 0.746317 C\n0.493313 0.000311 0.246317 C\n0.993313 0.499689 0.246317 C\n0.006687 0.500311 0.746317 C\n0.515467 0.855686 0.743725 N\n0.484533 0.144314 0.243725 N\n0.984533 0.355686 0.243725 N\n0.015467 0.644314 0.743725 N\n0.595162 0.075115 0.817847 N\n0.404838 0.924885 0.317847 N\n0.904838 0.575115 0.317847 N\n0.095162 0.424885 0.817847 N\n0.409427 0.068496 0.677273 N\n0.590573 0.931504 0.177273 N\n0.090573 0.568496 0.177273 N\n0.909427 0.431504 0.677273 N\n0.376851 0.653470 0.567081 O\n0.623149 0.346530 0.067081 O\n0.123149 0.153470 0.067081 O\n0.876851 0.846530 0.567081 O\n0.224470 0.843544 0.563818 O\n0.775530 0.156456 0.063818 O\n0.275530 0.343544 0.063818 O\n0.724470 0.656456 0.563818 O\n0.498573 0.391123 0.651109 O\n0.501427 0.608877 0.151109 O\n0.001427 0.891123 0.151109 O\n0.998573 0.108877 0.651109 O\n0.511892 0.390760 0.844031 O\n0.488108 0.609240 0.344031 O\n0.988108 0.890760 0.344031 O\n0.011892 0.109240 0.844031 O\n0.664821 0.388133 0.437000 O\n0.335179 0.611867 0.937000 O\n0.835179 0.888133 0.937000 O\n0.164821 0.111867 0.437000 O\n0.820243 0.200678 0.419515 O\n0.179757 0.799322 0.919515 O\n0.679757 0.700678 0.919515 O\n0.320243 0.299322 0.419515 O\n",
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"elements": [
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],
"chemical_system": "C-Cu-H-N-O",
"density": 1.8035530104781874,
"density_atomic": 0.0965717802876535,
"volume": 952.6592522780903,
"volume_molar": 6.2359218625380555,
"formula_full": "Cu4 H36 C16 N12 O24",
"formula_reduced": "CuH9C4(NO2)3",
"formula_anonymous": "AB3C4D6E9",
"energy": -584.2385722900001,
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"updated_at": "2021-11-28T01:36:02.181000Z",
"spacegroup": 33
},
{
"id": "mp-677490",
"created_at": "2022-09-04T14:42:07.482782Z",
"structure_string": "Li16 Nd12 Sb4 Te4 O48\n1.0\n11.049111 0.000000 0.000000\n-3.701932 10.452695 0.000000\n-3.680197 -5.125354 9.120965\nLi Nd Sb Te O\n16 12 4 4 48\ndirect\n0.129948 0.755538 0.881003 Li\n0.127483 0.871881 0.248179 Li\n0.248221 0.126846 0.872811 Li\n0.280339 0.642823 0.391756 Li\n0.365582 0.643601 0.752839 Li\n0.406629 0.451130 0.698324 Li\n0.368496 0.220856 0.611828 Li\n0.607896 0.723782 0.354281 Li\n0.751431 0.874841 0.129056 Li\n0.627815 0.374410 0.250999 Li\n0.747080 0.375712 0.621599 Li\n0.893912 0.140622 0.753664 Li\n0.743616 0.946372 0.543625 Li\n0.838868 0.210253 0.133528 Li\n0.050099 0.449143 0.250541 Li\n0.898075 0.204617 0.958646 Li\n0.259758 0.881576 0.630122 Nd\n0.129929 0.378401 0.755429 Nd\n0.130758 0.250237 0.376610 Nd\n0.618263 0.872722 0.749072 Nd\n0.268089 0.381282 0.131428 Nd\n0.386109 0.761455 0.127956 Nd\n0.617689 0.251697 0.878712 Nd\n0.380251 0.122613 0.247613 Nd\n0.753790 0.628524 0.877095 Nd\n0.875251 0.746305 0.626412 Nd\n0.741984 0.126063 0.367678 Nd\n0.864729 0.634590 0.251619 Nd\n0.502911 0.000156 0.498678 Sb\n0.503637 0.505122 0.502349 Sb\n0.499072 0.496881 0.995281 Sb\n0.496827 0.001097 0.996562 Sb\n0.003417 0.003957 0.005222 Te\n0.004040 0.005260 0.501946 Te\n0.004795 0.506768 0.505834 Te\n0.001608 0.500812 0.001314 Te\n0.092770 0.976902 0.667526 O\n0.025312 0.330088 0.909760 O\n0.125262 0.597048 0.934226 O\n0.079260 0.693101 0.673656 O\n0.072770 0.886749 0.403400 O\n0.098188 0.617795 0.423589 O\n0.172891 0.478951 0.597289 O\n0.414947 0.832400 0.797859 O\n0.300152 0.327071 0.918309 O\n0.379163 0.565540 0.883648 O\n0.174612 0.197649 0.581345 O\n0.015629 0.194899 0.120227 O\n0.329712 0.918506 0.300667 O\n0.178506 0.560036 0.176385 O\n0.414118 0.832356 0.532664 O\n0.301029 0.474864 0.378546 O\n0.328142 0.911218 0.029312 O\n0.120702 0.028138 0.196949 O\n0.405548 0.083641 0.880659 O\n0.524752 0.622116 0.701578 O\n0.525250 0.405991 0.820899 O\n0.382062 0.319572 0.498890 O\n0.193338 0.122846 0.027119 O\n0.584564 0.905682 0.376892 O\n0.431813 0.091251 0.627785 O\n0.813784 0.885225 0.983325 O\n0.625882 0.706292 0.527631 O\n0.465801 0.589964 0.161417 O\n0.476181 0.379065 0.307286 O\n0.593961 0.922121 0.116576 O\n0.888604 0.002107 0.825573 O\n0.668777 0.087281 0.960277 O\n0.703970 0.534908 0.626244 O\n0.592355 0.172083 0.469492 O\n0.813918 0.428252 0.833346 O\n0.687772 0.064978 0.679896 O\n0.981113 0.815996 0.883606 O\n0.826460 0.819110 0.431813 O\n0.698464 0.671767 0.077964 O\n0.623835 0.422212 0.092504 O\n0.586011 0.174274 0.196479 O\n0.836145 0.533562 0.411491 O\n0.905378 0.381984 0.570246 O\n0.923235 0.115741 0.594333 O\n0.939980 0.325605 0.331545 O\n0.884192 0.383211 0.065631 O\n0.974202 0.662812 0.099096 O\n0.910592 0.032794 0.336240 O\n",
"nsites": 84,
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"elements": [
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],
"chemical_system": "Li-Nd-O-Sb-Te",
"density": 5.686480145683469,
"density_atomic": 0.07974122113519051,
"volume": 1053.407494946551,
"volume_molar": 7.552105014532284,
"formula_full": "Li16 Nd12 Sb4 Te4 O48",
"formula_reduced": "Li4Nd3SbTeO12",
"formula_anonymous": "ABC3D4E12",
"energy": -584.26293999,
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"updated_at": "2021-11-28T01:35:34.530000Z",
"spacegroup": 1
},
{
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