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{
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"results": [
{
"id": "mp-768418",
"created_at": "2022-09-04T14:46:25.272183Z",
"structure_string": "Li12 Mn4 B8 O24\n1.0\n8.057647 0.000000 0.000000\n0.000000 5.881334 0.000000\n0.000000 5.052259 9.861478\nLi Mn B O\n12 4 8 24\ndirect\n0.724623 0.616455 0.899106 Li\n0.781986 0.055510 0.410586 Li\n0.561373 0.736006 0.630395 Li\n0.061373 0.263994 0.869605 Li\n0.224623 0.383545 0.600894 Li\n0.718014 0.055510 0.910586 Li\n0.281986 0.944490 0.089414 Li\n0.775377 0.616455 0.399106 Li\n0.938627 0.736006 0.130395 Li\n0.438627 0.263994 0.369605 Li\n0.218014 0.944490 0.589414 Li\n0.275377 0.383545 0.100894 Li\n0.610962 0.087546 0.153095 Mn\n0.110962 0.912454 0.346905 Mn\n0.889038 0.087546 0.653095 Mn\n0.389038 0.912454 0.846905 Mn\n0.887264 0.615177 0.638734 B\n0.939657 0.188289 0.107953 B\n0.387264 0.384823 0.861266 B\n0.439657 0.811711 0.392047 B\n0.560343 0.188289 0.607953 B\n0.612736 0.615177 0.138734 B\n0.060343 0.811711 0.892047 B\n0.112736 0.384823 0.361266 B\n0.792591 0.741133 0.696923 O\n0.415884 0.644013 0.782881 O\n0.941965 0.750503 0.508726 O\n0.795243 0.254457 0.027738 O\n0.914432 0.096665 0.246714 O\n0.441965 0.249497 0.991274 O\n0.091413 0.187319 0.056251 O\n0.591413 0.812681 0.443749 O\n0.414432 0.903335 0.253286 O\n0.295243 0.745543 0.472262 O\n0.915884 0.355987 0.717119 O\n0.292591 0.258867 0.803077 O\n0.707409 0.741133 0.196923 O\n0.084116 0.644013 0.282881 O\n0.704757 0.254457 0.527738 O\n0.585568 0.096665 0.746714 O\n0.408587 0.187319 0.556251 O\n0.908587 0.812681 0.943749 O\n0.558035 0.750503 0.008726 O\n0.085568 0.903335 0.753286 O\n0.204757 0.745543 0.972262 O\n0.058035 0.249497 0.491274 O\n0.584116 0.355987 0.217119 O\n0.207409 0.258867 0.303077 O\n",
"nsites": 48,
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"volume_molar": 5.863214141181506,
"formula_full": "Li12 Mn4 B8 O24",
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"updated_at": "2021-11-28T01:37:37.691000Z",
"spacegroup": 14
},
{
"id": "mp-1245036",
"created_at": "2022-09-04T14:46:25.575124Z",
"structure_string": "Al40 O60\n1.0\n9.816861 0.123811 0.315287\n0.085771 11.224939 -0.100686\n0.341085 -0.097170 10.223471\nAl O\n40 60\ndirect\n0.216309 0.557707 0.605332 Al\n0.576425 0.132776 0.776908 Al\n0.983605 0.705793 0.400424 Al\n0.309311 0.584522 0.892951 Al\n0.340724 0.055309 0.578185 Al\n0.755851 0.350516 0.771446 Al\n0.184879 0.273815 0.598510 Al\n0.415194 0.006239 0.970464 Al\n0.294050 0.071286 0.263149 Al\n0.894515 0.550899 0.580799 Al\n0.812136 0.582282 0.903833 Al\n0.795852 0.105488 0.978349 Al\n0.697857 0.048864 0.496858 Al\n0.695550 0.885067 0.895979 Al\n0.045091 0.709473 0.795992 Al\n0.842050 0.341963 0.041765 Al\n0.090397 0.429461 0.851325 Al\n0.121185 0.874315 0.257296 Al\n0.595016 0.957739 0.198967 Al\n0.409295 0.813358 0.755929 Al\n0.478412 0.217841 0.439739 Al\n0.186166 0.841449 0.994760 Al\n0.581294 0.713878 0.334275 Al\n0.774906 0.207212 0.291374 Al\n0.215023 0.803620 0.561020 Al\n0.040508 0.111064 0.459154 Al\n0.912274 0.896189 0.629440 Al\n0.558771 0.479766 0.004074 Al\n0.705419 0.378201 0.491685 Al\n0.576438 0.561578 0.694248 Al\n0.381618 0.441856 0.254354 Al\n0.695442 0.759929 0.598204 Al\n0.405039 0.703247 0.154569 Al\n0.091860 0.286809 0.275002 Al\n0.121263 0.078447 0.976354 Al\n0.808996 0.524069 0.249169 Al\n0.334970 0.252811 0.034113 Al\n0.090091 0.486057 0.129994 Al\n0.885412 0.735073 0.108500 Al\n0.435464 0.366647 0.670175 Al\n0.432933 0.022504 0.144602 O\n0.334802 0.906026 0.630901 O\n0.868483 0.788795 0.511560 O\n0.549254 0.715662 0.720552 O\n0.923389 0.453592 0.922174 O\n0.829645 0.394183 0.614068 O\n0.117543 0.266019 0.443023 O\n0.804100 0.259667 0.895712 O\n0.963001 0.799477 0.246558 O\n0.726786 0.665895 0.240942 O\n0.451864 0.153924 0.920797 O\n0.879502 0.034905 0.542841 O\n0.593177 0.285548 0.738656 O\n0.424141 0.490092 0.790277 O\n0.768267 0.852903 0.730284 O\n0.436884 0.378406 0.079036 O\n0.286133 0.744471 0.869987 O\n0.711480 0.955786 0.059899 O\n0.670215 0.496377 0.841392 O\n0.248936 0.209206 0.195771 O\n0.457475 0.334614 0.342343 O\n0.068943 0.831698 0.682213 O\n0.146149 0.787243 0.406047 O\n0.765593 0.207603 0.121145 O\n0.702515 0.050565 0.847061 O\n0.596192 0.805137 0.470237 O\n0.720948 0.602042 0.586271 O\n0.198322 0.443343 0.253597 O\n0.157412 0.572008 0.779739 O\n0.445989 0.609383 0.012952 O\n0.681035 0.039382 0.321901 O\n0.444213 0.596371 0.279056 O\n0.950742 0.585416 0.134625 O\n0.902118 0.623435 0.755294 O\n0.028821 0.767533 0.962754 O\n0.903402 0.561129 0.390625 O\n0.945997 0.174976 0.324016 O\n0.318371 0.681677 0.595496 O\n0.186855 0.222757 0.955600 O\n0.765521 0.726687 0.976082 O\n0.243645 0.769767 0.142719 O\n0.988486 0.354189 0.149153 O\n0.161666 0.104709 0.596110 O\n0.396958 0.081684 0.404758 O\n0.558576 0.050734 0.622171 O\n0.142026 0.971577 0.116123 O\n0.513973 0.814339 0.218296 O\n0.666245 0.217023 0.463207 O\n0.196381 0.481627 0.984098 O\n0.151755 0.008520 0.355865 O\n0.063982 0.603790 0.543900 O\n0.256203 0.973670 0.904595 O\n0.758580 0.380918 0.324283 O\n0.508486 0.891328 0.883372 O\n0.381762 0.220365 0.606192 O\n0.082424 0.325732 0.731032 O\n0.715880 0.466283 0.084703 O\n0.554904 0.444310 0.567620 O\n0.284358 0.415008 0.586658 O\n0.958911 0.050876 0.943160 O\n",
"nsites": 100,
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"elements": [
"Al",
"O"
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"chemical_system": "Al-O",
"density": 3.0095848176153646,
"density_atomic": 0.0888775812976084,
"volume": 1125.1431299097571,
"volume_molar": 6.775770303463524,
"formula_full": "Al40 O60",
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"energy": -766.24379091,
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"updated_at": "2021-11-28T01:37:37.762000Z",
"spacegroup": 1
},
{
"id": "mp-1215472",
"created_at": "2022-09-04T14:46:25.578609Z",
"structure_string": "Yb1 Tm1 S2\n1.0\n6.543796 -1.940777 0.000000\n6.543796 1.940777 0.000000\n5.968195 0.000000 3.311877\nYb Tm S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Tm\n0.247545 0.247545 0.247545 S\n0.752455 0.752455 0.752455 S\n",
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],
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"density": 8.016356186702751,
"density_atomic": 0.047549987581073185,
"volume": 84.12199883711772,
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"formula_full": "Yb1 Tm1 S2",
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"formula_anonymous": "ABC2",
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},
{
"id": "mp-1021162",
"created_at": "2022-09-04T14:46:25.273603Z",
"structure_string": "Ce1 Mg6 C1\n1.0\n2.789697 -6.491206 0.000000\n2.789697 6.491206 0.000000\n0.000000 0.000000 4.923941\nCe Mg C\n1 6 1\ndirect\n0.808389 0.191611 0.500000 Ce\n0.303492 0.203773 0.500000 Mg\n0.796227 0.696508 0.500000 Mg\n0.177472 0.333637 0.000000 Mg\n0.666363 0.822528 0.000000 Mg\n0.647622 0.352378 0.000000 Mg\n0.204419 0.795581 0.000000 Mg\n0.396024 0.603976 0.500000 C\n",
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"formula_full": "Ce1 Mg6 C1",
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{
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"structure_string": "Er4 Ni2 As4\n1.0\n2.051461 -3.553234 0.000000\n2.051461 3.553234 0.000000\n0.000000 0.000000 14.031288\nEr Ni As\n4 2 4\ndirect\n0.666667 0.333333 0.617932 Er\n0.333333 0.666667 0.117932 Er\n0.666667 0.333333 0.352346 Er\n0.333333 0.666667 0.852346 Er\n0.000000 0.000000 0.998385 Ni\n0.000000 0.000000 0.498385 Ni\n0.666667 0.333333 0.982638 As\n0.333333 0.666667 0.482638 As\n0.000000 0.000000 0.733029 As\n0.000000 0.000000 0.233029 As\n",
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{
"id": "mp-1268088",
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"structure_string": "Ba1 Al1 Cu1 Ag1 O5\n1.0\n3.895576 0.048505 0.527278\n0.037387 4.523764 0.062916\n1.266752 0.209826 7.206732\nBa Al Cu Ag O\n1 1 1 1 5\ndirect\n0.980986 0.011453 0.991574 Ba\n0.971904 0.130529 0.460760 Al\n0.395649 0.513425 0.262611 Cu\n0.559482 0.530209 0.701053 Ag\n0.191686 0.440006 0.533453 O\n0.647552 0.015954 0.678443 O\n0.864025 0.388178 0.282800 O\n0.308356 0.945878 0.283191 O\n0.580357 0.524365 0.994032 O\n",
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"formula_full": "Ba1 Al1 Cu1 Ag1 O5",
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{
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"formula_full": "Ho2 Ir1 Rh1",
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{
"id": "mp-777743",
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"structure_string": "Fe10 O6 F14\n1.0\n3.375640 3.418333 0.000000\n-3.375640 3.418333 0.000000\n0.000000 0.065743 15.612827\nFe O F\n10 6 14\ndirect\n0.041627 0.977185 0.808330 Fe\n0.993565 0.006435 0.000000 Fe\n0.022815 0.958373 0.191670 Fe\n0.973993 0.025817 0.398238 Fe\n0.974183 0.026007 0.601762 Fe\n0.459022 0.476207 0.896349 Fe\n0.494136 0.496569 0.300071 Fe\n0.523793 0.540978 0.103651 Fe\n0.525167 0.474833 0.500000 Fe\n0.503431 0.505864 0.699929 Fe\n0.818961 0.812068 0.100946 O\n0.676845 0.321440 0.397571 O\n0.678560 0.323155 0.602429 O\n0.313966 0.681687 0.793813 O\n0.318313 0.686034 0.206187 O\n0.187932 0.181039 0.899054 O\n0.798144 0.791938 0.897284 F\n0.802825 0.797400 0.295059 F\n0.784328 0.801821 0.500160 F\n0.805758 0.800425 0.706664 F\n0.704133 0.287638 0.794797 F\n0.679518 0.320482 0.000000 F\n0.712362 0.295867 0.205203 F\n0.310256 0.689744 0.000000 F\n0.292835 0.704885 0.401476 F\n0.295115 0.707165 0.598524 F\n0.199575 0.194242 0.293336 F\n0.208062 0.201856 0.102716 F\n0.202600 0.197175 0.704941 F\n0.198179 0.215672 0.499840 F\n",
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"formula_full": "Fe10 O6 F14",
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{
"id": "mp-1029763",
"created_at": "2022-09-04T14:46:25.600521Z",
"structure_string": "Zn4 Si4 N8\n1.0\n2.763423 -5.813773 0.000000\n2.763423 5.813773 0.000000\n0.000000 0.000000 5.637988\nZn Si N\n4 4 8\ndirect\n0.328501 0.671499 0.071013 Zn\n0.671499 0.328501 0.928987 Zn\n0.171499 0.828501 0.571013 Zn\n0.828501 0.171499 0.428987 Zn\n0.079684 0.920316 0.134273 Si\n0.920316 0.079684 0.865727 Si\n0.420316 0.579684 0.634273 Si\n0.579684 0.420316 0.365727 Si\n0.431794 0.568206 0.330118 N\n0.568206 0.431794 0.669882 N\n0.068206 0.931794 0.830118 N\n0.931794 0.068206 0.169882 N\n0.907773 0.592227 0.250000 N\n0.592227 0.907773 0.750000 N\n0.092227 0.407773 0.750000 N\n0.407773 0.092227 0.250000 N\n",
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"formula_full": "Zn4 Si4 N8",
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