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{
"id": "mp-1186447",
"created_at": "2022-09-04T14:47:09.555602Z",
"structure_string": "Pd2 Au6\n1.0\n2.888683 -5.003346 0.000000\n2.888683 5.003346 0.000000\n0.000000 0.000000 4.821428\nPd Au\n2 6\ndirect\n0.666667 0.333333 0.250000 Pd\n0.333333 0.666667 0.750000 Pd\n0.832009 0.167991 0.750000 Au\n0.335981 0.167991 0.750000 Au\n0.832009 0.664019 0.750000 Au\n0.167991 0.832009 0.250000 Au\n0.664019 0.832009 0.250000 Au\n0.167991 0.335981 0.250000 Au\n",
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{
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"structure_string": "Ca2 Al4 Si8 O33\n1.0\n6.647235 7.526569 0.000000\n-6.647235 7.526569 0.000000\n0.000000 2.555560 7.090833\nCa Al Si O\n2 4 8 33\ndirect\n0.738240 0.738240 0.280375 Ca\n0.261760 0.261760 0.719625 Ca\n0.824958 0.433196 0.270948 Al\n0.433196 0.824958 0.270948 Al\n0.175042 0.566804 0.729052 Al\n0.566804 0.175042 0.729052 Al\n0.852438 0.617397 0.856507 Si\n0.617397 0.852438 0.856507 Si\n0.147562 0.382603 0.143493 Si\n0.382603 0.147562 0.143493 Si\n0.696224 0.459548 0.687472 Si\n0.459548 0.696224 0.687472 Si\n0.303776 0.540452 0.312528 Si\n0.540452 0.303776 0.312528 Si\n0.754566 0.754566 0.786034 O\n0.245434 0.245434 0.213966 O\n0.831221 0.590274 0.087162 O\n0.590274 0.831221 0.087162 O\n0.168779 0.409726 0.912838 O\n0.409726 0.168779 0.912838 O\n0.766318 0.521049 0.460580 O\n0.521049 0.766318 0.460580 O\n0.233682 0.478951 0.539420 O\n0.478951 0.233682 0.539420 O\n0.800875 0.483426 0.810903 O\n0.483426 0.800875 0.810903 O\n0.199125 0.516574 0.189097 O\n0.516574 0.199125 0.189097 O\n0.010104 0.646034 0.747003 O\n0.646034 0.010104 0.747003 O\n0.989896 0.353966 0.252997 O\n0.353966 0.989896 0.252997 O\n0.549805 0.549805 0.742028 O\n0.450195 0.450195 0.257972 O\n0.701823 0.325939 0.274022 O\n0.325939 0.701823 0.274022 O\n0.298177 0.674061 0.725978 O\n0.674061 0.298177 0.725978 O\n0.920800 0.079200 0.000000 O\n0.079200 0.920800 0.000000 O\n0.939080 0.939080 0.961240 O\n0.060920 0.060920 0.038760 O\n0.000000 0.000000 0.500000 O\n0.070742 0.165594 0.617658 O\n0.165594 0.070742 0.617658 O\n0.929258 0.834406 0.382342 O\n0.834406 0.929258 0.382342 O\n",
"nsites": 47,
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"elements": [
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"O"
],
"chemical_system": "Al-Ca-O-Si",
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"formula_full": "Ca2 Al4 Si8 O33",
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"updated_at": "2021-11-28T01:37:49.615000Z",
"spacegroup": 12
},
{
"id": "mp-1032067",
"created_at": "2022-09-04T14:47:09.545856Z",
"structure_string": "Mg6 Co1 B1 O8\n1.0\n8.429035 0.000000 0.000000\n0.000000 4.240411 0.000000\n0.000000 0.000000 4.240411\nMg Co B O\n6 1 1 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.259316 0.000000 0.500000 Mg\n0.740684 0.000000 0.500000 Mg\n0.259316 0.500000 0.000000 Mg\n0.740684 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.000000 B\n0.331040 0.000000 0.000000 O\n0.668960 0.000000 0.000000 O\n0.249051 0.500000 0.500000 O\n0.750949 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"B",
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],
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"density_atomic": 0.10556652372852524,
"volume": 151.56319858694584,
"volume_molar": 5.704593224540131,
"formula_full": "Mg6 Co1 B1 O8",
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"spacegroup": 123
},
{
"id": "mp-1177008",
"created_at": "2022-09-04T14:47:09.538471Z",
"structure_string": "Li12 Mn2 V6 P12 O48\n1.0\n9.803504 0.000000 0.000000\n0.513357 9.818338 0.000000\n0.519749 0.894668 9.787221\nLi Mn V P O\n12 2 6 12 48\ndirect\n0.763485 0.014109 0.489517 Li\n0.616137 0.995074 0.741975 Li\n0.535122 0.212968 0.433006 Li\n0.824612 0.231460 0.264509 Li\n0.392791 0.250632 0.014532 Li\n0.187553 0.372417 0.253454 Li\n0.241125 0.503006 0.988179 Li\n0.463766 0.562982 0.784685 Li\n0.026494 0.703344 0.073273 Li\n0.179321 0.733259 0.764945 Li\n0.811205 0.749002 0.619541 Li\n0.979048 0.928521 0.297893 Li\n0.781731 0.262117 0.970968 Mn\n0.278080 0.974896 0.257546 Mn\n0.218056 0.029007 0.748609 V\n0.998693 0.246026 0.753360 V\n0.998582 0.466740 0.536162 V\n0.497772 0.533645 0.468707 V\n0.718365 0.748260 0.033150 V\n0.496755 0.750474 0.252805 V\n0.599909 0.053101 0.174458 P\n0.094283 0.172059 0.053256 P\n0.072129 0.160968 0.450137 P\n0.697446 0.317027 0.657929 P\n0.300419 0.342877 0.683913 P\n0.571903 0.445391 0.166587 P\n0.925510 0.551488 0.846542 P\n0.194202 0.649929 0.319547 P\n0.802592 0.682839 0.348117 P\n0.428702 0.838449 0.556343 P\n0.406695 0.816160 0.946665 P\n0.905666 0.943071 0.822878 P\n0.126089 0.030254 0.127322 O\n0.444543 0.086501 0.174162 O\n0.210258 0.114822 0.388411 O\n0.661386 0.117310 0.036352 O\n0.665051 0.099328 0.300362 O\n0.076065 0.125518 0.610554 O\n0.946362 0.097109 0.398926 O\n0.878201 0.101426 0.831149 O\n0.124647 0.162301 0.893431 O\n0.330218 0.186065 0.688292 O\n0.938539 0.203365 0.088605 O\n0.651110 0.192155 0.594000 O\n0.185455 0.284583 0.088315 O\n0.058262 0.320681 0.413791 O\n0.667150 0.308945 0.814733 O\n0.858272 0.325957 0.623144 O\n0.712182 0.377995 0.129817 O\n0.451384 0.406064 0.091633 O\n0.139201 0.379006 0.677872 O\n0.365043 0.402310 0.545648 O\n0.549563 0.408892 0.326485 O\n0.348813 0.404066 0.809059 O\n0.919833 0.389654 0.878253 O\n0.630552 0.455467 0.601263 O\n0.156294 0.575699 0.197413 O\n0.861239 0.545165 0.407434 O\n0.137432 0.588538 0.458927 O\n0.581738 0.608373 0.135023 O\n0.357354 0.623467 0.330809 O\n0.055553 0.599276 0.903940 O\n0.926558 0.587864 0.688038 O\n0.791569 0.610878 0.910902 O\n0.639560 0.672670 0.375900 O\n0.841447 0.702703 0.191891 O\n0.445611 0.678183 0.592225 O\n0.343807 0.693162 0.892264 O\n0.153382 0.803309 0.301834 O\n0.376467 0.811401 0.106218 O\n0.842374 0.806247 0.419062 O\n0.564752 0.819116 0.912931 O\n0.421119 0.868381 0.393367 O\n0.628130 0.890166 0.171289 O\n0.289371 0.881276 0.623157 O\n0.060696 0.905189 0.789789 O\n0.551193 0.910172 0.595231 O\n0.872314 0.868931 0.964959 O\n0.813157 0.907099 0.711928 O\n0.342551 0.954456 0.887901 O\n",
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"formula_full": "Li12 Mn2 V6 P12 O48",
"formula_reduced": "Li6MnV3(PO4)6",
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"spacegroup": 1
},
{
"id": "mp-1078700",
"created_at": "2022-09-04T14:47:09.533724Z",
"structure_string": "Li4 Bi2 Au2\n1.0\n3.623808 -4.181992 0.000000\n3.623808 4.181992 0.000000\n0.000000 0.000000 5.743583\nLi Bi Au\n4 2 2\ndirect\n0.479528 0.124064 0.250000 Li\n0.875936 0.520472 0.750000 Li\n0.520472 0.875936 0.750000 Li\n0.124064 0.479528 0.250000 Li\n0.663805 0.663805 0.250000 Bi\n0.336195 0.336195 0.750000 Bi\n0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
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"formula_full": "Li4 Bi2 Au2",
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{
"id": "mp-762044",
"created_at": "2022-09-04T14:47:09.532918Z",
"structure_string": "Li12 Sb8 P12 O48\n1.0\n9.324436 0.000000 0.000000\n0.000000 8.813557 0.000000\n0.000000 8.650785 12.773602\nLi Sb P O\n12 8 12 48\ndirect\n0.511202 0.588921 0.349015 Li\n0.087514 0.227590 0.685850 Li\n0.778334 0.638120 0.182659 Li\n0.278334 0.361880 0.317341 Li\n0.587514 0.772410 0.814150 Li\n0.011202 0.411079 0.150985 Li\n0.988798 0.588921 0.849015 Li\n0.412486 0.227590 0.185850 Li\n0.721666 0.638120 0.682659 Li\n0.221666 0.361880 0.817341 Li\n0.912486 0.772410 0.314150 Li\n0.488798 0.411079 0.650985 Li\n0.027023 0.868512 0.902583 Sb\n0.455388 0.664778 0.096029 Sb\n0.955388 0.335222 0.403971 Sb\n0.527023 0.131488 0.597417 Sb\n0.472977 0.868512 0.402583 Sb\n0.044612 0.664778 0.596029 Sb\n0.544612 0.335222 0.903971 Sb\n0.972977 0.131488 0.097417 Sb\n0.258246 0.454175 0.490709 P\n0.379445 0.059365 0.831357 P\n0.103220 0.718525 0.159685 P\n0.603220 0.281475 0.340315 P\n0.879445 0.940635 0.668643 P\n0.758246 0.545825 0.009291 P\n0.241754 0.454175 0.990709 P\n0.120555 0.059365 0.331357 P\n0.396780 0.718525 0.659685 P\n0.896780 0.281475 0.840315 P\n0.620555 0.940635 0.168643 P\n0.741754 0.545825 0.509291 P\n0.863270 0.521731 0.448699 O\n0.878613 0.071866 0.898290 O\n0.665718 0.367537 0.592856 O\n0.570865 0.744354 0.200078 O\n0.367418 0.320718 0.580061 O\n0.994352 0.641267 0.252859 O\n0.220357 0.082917 0.799927 O\n0.395200 0.922117 0.951299 O\n0.250901 0.619543 0.198301 O\n0.196151 0.356964 0.440204 O\n0.474139 0.997315 0.773238 O\n0.034747 0.670923 0.084867 O\n0.534747 0.329077 0.415133 O\n0.974139 0.002685 0.726762 O\n0.696151 0.643036 0.059796 O\n0.750901 0.380457 0.301699 O\n0.895200 0.077883 0.548701 O\n0.720357 0.917083 0.700073 O\n0.494352 0.358733 0.247141 O\n0.867418 0.679282 0.919939 O\n0.070865 0.255646 0.299922 O\n0.165718 0.632463 0.907144 O\n0.378613 0.928134 0.601710 O\n0.363270 0.478269 0.051301 O\n0.636730 0.521731 0.948699 O\n0.621387 0.071866 0.398290 O\n0.834282 0.367537 0.092856 O\n0.929135 0.744354 0.700078 O\n0.132582 0.320718 0.080061 O\n0.505648 0.641267 0.752859 O\n0.279643 0.082917 0.299927 O\n0.104800 0.922117 0.451299 O\n0.249099 0.619543 0.698301 O\n0.303849 0.356964 0.940204 O\n0.025861 0.997315 0.273238 O\n0.465253 0.670923 0.584867 O\n0.965253 0.329077 0.915133 O\n0.525861 0.002685 0.226762 O\n0.803849 0.643036 0.559796 O\n0.749099 0.380457 0.801699 O\n0.604800 0.077883 0.048701 O\n0.779643 0.917083 0.200073 O\n0.005648 0.358733 0.747141 O\n0.632582 0.679282 0.419939 O\n0.429135 0.255646 0.799922 O\n0.334282 0.632463 0.407144 O\n0.121387 0.928134 0.101710 O\n0.136730 0.478269 0.551301 O\n",
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"formula_full": "Li12 Sb8 P12 O48",
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"spacegroup": 14
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{
"id": "mp-1232190",
"created_at": "2022-09-04T14:47:09.532105Z",
"structure_string": "Pr8 Mg4 Se16\n1.0\n7.784034 0.000000 0.000000\n-0.025594 9.076084 0.000000\n-1.433676 -2.291653 13.445893\nPr Mg Se\n8 4 16\ndirect\n0.866724 0.300325 0.689473 Pr\n0.133276 0.699675 0.310527 Pr\n0.755786 0.132157 0.000664 Pr\n0.244214 0.867843 0.999336 Pr\n0.631517 0.443289 0.307788 Pr\n0.368483 0.556711 0.692212 Pr\n0.635369 0.960046 0.311725 Pr\n0.364631 0.039954 0.688275 Pr\n0.864545 0.799578 0.703283 Mg\n0.135455 0.200422 0.296717 Mg\n0.751380 0.620417 0.994155 Mg\n0.248620 0.379583 0.005845 Mg\n0.914343 0.359711 0.898112 Se\n0.085657 0.640289 0.101888 Se\n0.883992 0.838753 0.892854 Se\n0.116008 0.161247 0.107146 Se\n0.844497 0.220516 0.376218 Se\n0.155503 0.779484 0.623782 Se\n0.805407 0.719470 0.383901 Se\n0.194593 0.280530 0.616099 Se\n0.702359 0.013883 0.627589 Se\n0.297641 0.986117 0.372411 Se\n0.699173 0.550036 0.623333 Se\n0.300827 0.449964 0.376667 Se\n0.614579 0.890172 0.103354 Se\n0.385421 0.109828 0.896646 Se\n0.589950 0.412892 0.099669 Se\n0.410050 0.587108 0.900331 Se\n",
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{
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