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{
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"results": [
{
"id": "mp-1194111",
"created_at": "2022-09-04T14:42:59.030394Z",
"structure_string": "Zr6 Ga16 Os7\n1.0\n0.000000 6.230084 6.230084\n6.230084 0.000000 6.230084\n6.230084 6.230084 0.000000\nZr Ga Os\n6 16 7\ndirect\n0.718918 0.718918 0.281082 Zr\n0.281082 0.718918 0.281082 Zr\n0.718918 0.281082 0.281082 Zr\n0.281082 0.281082 0.718918 Zr\n0.718918 0.281082 0.718918 Zr\n0.281082 0.718918 0.718918 Zr\n0.876230 0.876230 0.371310 Ga\n0.876230 0.371310 0.876230 Ga\n0.371310 0.876230 0.876230 Ga\n0.876230 0.876230 0.876230 Ga\n0.123770 0.123770 0.628690 Ga\n0.123770 0.628690 0.123770 Ga\n0.628690 0.123770 0.123770 Ga\n0.123770 0.123770 0.123770 Ga\n0.654411 0.654411 0.036767 Ga\n0.654411 0.036767 0.654411 Ga\n0.036767 0.654411 0.654411 Ga\n0.654411 0.654411 0.654411 Ga\n0.345589 0.345589 0.963233 Ga\n0.345589 0.963233 0.345589 Ga\n0.963233 0.345589 0.345589 Ga\n0.345589 0.345589 0.345589 Ga\n0.000000 0.000000 0.000000 Os\n0.000000 0.000000 0.500000 Os\n0.500000 0.000000 0.500000 Os\n0.000000 0.500000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n0.000000 0.500000 0.000000 Os\n0.500000 0.000000 0.000000 Os\n",
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"formula_full": "Zr6 Ga16 Os7",
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"formula_anonymous": "A6B7C16",
"energy": -188.2137513,
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"spacegroup": 225
},
{
"id": "mp-561987",
"created_at": "2022-09-04T14:42:59.003021Z",
"structure_string": "K8 Co8 Mo12 O48\n1.0\n9.163185 0.000000 0.000000\n0.000000 7.105969 0.000000\n0.000000 6.385066 19.279715\nK Co Mo O\n8 8 12 48\ndirect\n0.978380 0.489434 0.275730 K\n0.021620 0.510566 0.724270 K\n0.456185 0.189415 0.092282 K\n0.521620 0.489434 0.775730 K\n0.956185 0.810585 0.407718 K\n0.543815 0.810585 0.907718 K\n0.043815 0.189415 0.592282 K\n0.478380 0.510566 0.224270 K\n0.347249 0.724055 0.364619 Co\n0.424600 0.074091 0.559711 Co\n0.075400 0.074091 0.059711 Co\n0.924600 0.925909 0.940289 Co\n0.152751 0.724055 0.864619 Co\n0.847249 0.275945 0.135381 Co\n0.575400 0.925909 0.440289 Co\n0.652751 0.275945 0.635381 Co\n0.342784 0.049399 0.728907 Mo\n0.163090 0.585556 0.039602 Mo\n0.336910 0.585556 0.539602 Mo\n0.232093 0.195620 0.901958 Mo\n0.842784 0.950601 0.771093 Mo\n0.657216 0.950601 0.271093 Mo\n0.836910 0.414444 0.960398 Mo\n0.157216 0.049399 0.228907 Mo\n0.767907 0.804380 0.098042 Mo\n0.732093 0.804380 0.598042 Mo\n0.663090 0.414444 0.460398 Mo\n0.267907 0.195620 0.401958 Mo\n0.236771 0.624508 0.459929 O\n0.939820 0.191316 0.961985 O\n0.249810 0.162117 0.493713 O\n0.620199 0.004619 0.611836 O\n0.750190 0.837883 0.506287 O\n0.589761 0.830922 0.126265 O\n0.879801 0.004619 0.111836 O\n0.250190 0.162117 0.993713 O\n0.701009 0.456238 0.897117 O\n0.456777 0.364087 0.565160 O\n0.831221 0.558108 0.145491 O\n0.803637 0.005879 0.850688 O\n0.303637 0.994121 0.649312 O\n0.160242 0.822470 0.303377 O\n0.043223 0.364087 0.065160 O\n0.439820 0.808684 0.538015 O\n0.196363 0.994121 0.149312 O\n0.798991 0.456238 0.397117 O\n0.089761 0.169078 0.373735 O\n0.263229 0.624508 0.959929 O\n0.331221 0.441892 0.354509 O\n0.708909 0.784987 0.760699 O\n0.982541 0.174378 0.220453 O\n0.791091 0.784987 0.260699 O\n0.120199 0.995381 0.888164 O\n0.660242 0.177530 0.196623 O\n0.017459 0.825622 0.779547 O\n0.696363 0.005879 0.350688 O\n0.763229 0.375492 0.540071 O\n0.517459 0.174378 0.720453 O\n0.839758 0.177530 0.696623 O\n0.736771 0.375492 0.040071 O\n0.339758 0.822470 0.803377 O\n0.668779 0.558108 0.645491 O\n0.379801 0.995381 0.388164 O\n0.168779 0.441892 0.854509 O\n0.298991 0.543762 0.102883 O\n0.208909 0.215013 0.739301 O\n0.482541 0.825622 0.279547 O\n0.910239 0.830922 0.626265 O\n0.201009 0.543762 0.602883 O\n0.060180 0.808684 0.038015 O\n0.543223 0.635913 0.434840 O\n0.956777 0.635913 0.934840 O\n0.560180 0.191316 0.461985 O\n0.749810 0.837883 0.006287 O\n0.410239 0.169078 0.873735 O\n0.291091 0.215013 0.239301 O\n",
"nsites": 76,
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"elements": [
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"Co",
"Mo",
"O"
],
"chemical_system": "Co-K-Mo-O",
"density": 3.576066661786785,
"density_atomic": 0.06054011187846301,
"volume": 1255.366031575452,
"volume_molar": 9.947356509828918,
"formula_full": "K8 Co8 Mo12 O48",
"formula_reduced": "K2Co2(MoO4)3",
"formula_anonymous": "A2B2C3D12",
"energy": -571.97051318,
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"band_gap": 2.5043,
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"updated_at": "2021-11-28T01:36:07.415000Z",
"spacegroup": 14
},
{
"id": "mp-1195304",
"created_at": "2022-09-04T14:42:54.853815Z",
"structure_string": "Cs4 Sn6 Sb4 S20\n1.0\n13.794911 0.000000 0.000000\n0.000000 7.194437 0.000000\n0.000000 6.289894 10.571131\nCs Sn Sb S\n4 6 4 20\ndirect\n0.335001 0.460818 0.155372 Cs\n0.164999 0.460818 0.655372 Cs\n0.664999 0.539182 0.844628 Cs\n0.835001 0.539182 0.344628 Cs\n0.000000 0.500000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.053260 0.106738 0.348104 Sn\n0.446740 0.106738 0.848104 Sn\n0.946740 0.893262 0.651896 Sn\n0.553260 0.893262 0.151896 Sn\n0.141868 0.008647 0.096643 Sb\n0.358132 0.008647 0.596643 Sb\n0.858132 0.991353 0.903357 Sb\n0.641868 0.991353 0.403357 Sb\n0.170484 0.400616 0.961963 S\n0.329516 0.400616 0.461963 S\n0.829516 0.599384 0.038037 S\n0.670484 0.599384 0.538037 S\n0.971272 0.078093 0.131209 S\n0.528728 0.078093 0.631209 S\n0.028728 0.921907 0.868791 S\n0.471272 0.921907 0.368791 S\n0.940141 0.507195 0.796719 S\n0.559859 0.507195 0.296719 S\n0.059859 0.492805 0.203281 S\n0.440141 0.492805 0.703281 S\n0.190775 0.928850 0.315591 S\n0.309225 0.928850 0.815591 S\n0.809225 0.071150 0.684409 S\n0.690775 0.071150 0.184409 S\n0.897658 0.931970 0.443476 S\n0.602342 0.931970 0.943476 S\n0.102342 0.068030 0.556524 S\n0.397658 0.068030 0.056524 S\n",
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"elements": [
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"volume": 1049.1490013489135,
"volume_molar": 18.582714600989963,
"formula_full": "Cs4 Sn6 Sb4 S20",
"formula_reduced": "Cs2Sn3(SbS5)2",
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"energy": -156.13217276,
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"updated_at": "2021-11-28T01:35:54.868000Z",
"spacegroup": 14
},
{
"id": "mp-1189774",
"created_at": "2022-09-04T14:42:59.357230Z",
"structure_string": "V12 Ga8\n1.0\n6.546217 0.000000 0.000000\n0.000000 6.546217 0.000000\n0.000000 0.000000 6.546217\nV Ga\n12 8\ndirect\n0.793409 0.956591 0.375000 V\n0.706591 0.043409 0.875000 V\n0.206591 0.456591 0.125000 V\n0.293409 0.543409 0.625000 V\n0.956591 0.375000 0.793409 V\n0.043409 0.875000 0.706591 V\n0.456591 0.125000 0.206591 V\n0.543409 0.625000 0.293409 V\n0.375000 0.793409 0.956591 V\n0.875000 0.706591 0.043409 V\n0.125000 0.206591 0.456591 V\n0.625000 0.293409 0.543409 V\n0.187852 0.812148 0.312148 Ga\n0.312148 0.187852 0.812148 Ga\n0.812148 0.312148 0.187852 Ga\n0.687852 0.687852 0.687852 Ga\n0.562148 0.437852 0.937852 Ga\n0.437852 0.937852 0.562148 Ga\n0.937852 0.562148 0.437852 Ga\n0.062148 0.062148 0.062148 Ga\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Ga-V",
"density": 6.920267440603442,
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"volume": 280.52475568626005,
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"formula_full": "V12 Ga8",
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"spacegroup": 213
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{
"id": "mp-572284",
"created_at": "2022-09-04T14:42:54.075470Z",
"structure_string": "Sb4 Xe4 O4 F36\n1.0\n8.889668 0.000000 0.000000\n-2.383606 9.733566 0.000000\n-0.625629 -3.773797 9.763747\nSb Xe O F\n4 4 4 36\ndirect\n0.924021 0.755179 0.255451 Sb\n0.444991 0.777178 0.589836 Sb\n0.075979 0.244821 0.744549 Sb\n0.555009 0.222822 0.410164 Sb\n0.544901 0.220013 0.866757 Xe\n0.923340 0.793864 0.722817 Xe\n0.455099 0.779987 0.133243 Xe\n0.076660 0.206136 0.277183 Xe\n0.900986 0.145697 0.151075 O\n0.711156 0.203776 0.964907 O\n0.288844 0.796224 0.035093 O\n0.099014 0.854303 0.848925 O\n0.437015 0.013912 0.307750 F\n0.528814 0.643662 0.979827 F\n0.299396 0.250234 0.758095 F\n0.129441 0.453061 0.808421 F\n0.922091 0.759560 0.075814 F\n0.982619 0.615191 0.609787 F\n0.086953 0.231463 0.558921 F\n0.477719 0.814428 0.424489 F\n0.823877 0.936338 0.847613 F\n0.176123 0.063662 0.152387 F\n0.613559 0.933414 0.092011 F\n0.967184 0.972393 0.324292 F\n0.342922 0.576467 0.490010 F\n0.017381 0.384809 0.390213 F\n0.386441 0.066586 0.907989 F\n0.522281 0.185572 0.575511 F\n0.913047 0.768537 0.441079 F\n0.657078 0.423533 0.509990 F\n0.348267 0.260497 0.411676 F\n0.740970 0.159427 0.403778 F\n0.665186 0.408933 0.851168 F\n0.870559 0.546939 0.191579 F\n0.784374 0.650341 0.786630 F\n0.077909 0.240440 0.924186 F\n0.434675 0.751487 0.760561 F\n0.259030 0.840573 0.596222 F\n0.856529 0.221506 0.718181 F\n0.700604 0.749766 0.241905 F\n0.471186 0.356338 0.020173 F\n0.215626 0.349659 0.213370 F\n0.143471 0.778494 0.281819 F\n0.565325 0.248513 0.239439 F\n0.334814 0.591067 0.148832 F\n0.032816 0.027607 0.675708 F\n0.651733 0.739503 0.588324 F\n0.562985 0.986088 0.692250 F\n",
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},
{
"id": "mp-570738",
"created_at": "2022-09-04T14:42:59.417701Z",
"structure_string": "Ga12 I24\n1.0\n8.233285 -13.531535 0.000000\n8.233285 13.531535 0.000000\n-14.006010 0.000000 7.397371\nGa I\n12 24\ndirect\n0.744174 0.056588 0.895606 Ga\n0.702918 0.892749 0.083441 Ga\n0.202918 0.583441 0.392749 Ga\n0.892749 0.083441 0.702918 Ga\n0.556589 0.244174 0.395606 Ga\n0.244174 0.395606 0.556589 Ga\n0.395606 0.556588 0.244174 Ga\n0.583441 0.392749 0.202918 Ga\n0.056589 0.895606 0.744174 Ga\n0.392749 0.202918 0.583441 Ga\n0.895606 0.744174 0.056589 Ga\n0.083441 0.702918 0.892749 Ga\n0.855334 0.449788 0.783087 I\n0.954553 0.548166 0.616037 I\n0.405466 0.603393 0.503788 I\n0.783087 0.855334 0.449788 I\n0.652405 0.399195 0.900311 I\n0.003788 0.103393 0.905466 I\n0.616037 0.954553 0.548166 I\n0.048166 0.454553 0.116037 I\n0.355334 0.283087 0.949788 I\n0.503788 0.405466 0.603393 I\n0.900311 0.652405 0.399195 I\n0.152405 0.400311 0.899195 I\n0.449788 0.783087 0.855334 I\n0.548166 0.616037 0.954553 I\n0.103393 0.905466 0.003788 I\n0.603393 0.503788 0.405466 I\n0.899195 0.152405 0.400311 I\n0.399195 0.900311 0.652405 I\n0.905466 0.003788 0.103393 I\n0.949788 0.355334 0.283087 I\n0.454553 0.116037 0.048166 I\n0.400311 0.899195 0.152405 I\n0.116037 0.048166 0.454553 I\n0.283087 0.949788 0.355334 I\n",
"nsites": 36,
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"spacegroup": 161
},
{
"id": "mp-569915",
"created_at": "2022-09-04T14:42:54.948259Z",
"structure_string": "Er10 Rh6\n1.0\n4.092519 -7.088451 0.000000\n4.092519 7.088451 0.000000\n0.000000 0.000000 6.258821\nEr Rh\n10 6\ndirect\n0.247784 0.000000 0.250000 Er\n0.000000 0.752216 0.750000 Er\n0.752216 0.000000 0.750000 Er\n0.000000 0.247784 0.250000 Er\n0.333333 0.666667 0.000000 Er\n0.666667 0.333333 0.000000 Er\n0.666667 0.333333 0.500000 Er\n0.752216 0.752216 0.250000 Er\n0.333333 0.666667 0.500000 Er\n0.247784 0.247784 0.750000 Er\n0.399397 0.399397 0.250000 Rh\n0.600603 0.000000 0.250000 Rh\n0.000000 0.399397 0.750000 Rh\n0.600603 0.600603 0.750000 Rh\n0.399397 0.000000 0.750000 Rh\n0.000000 0.600603 0.250000 Rh\n",
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},
{
"id": "mp-1077263",
"created_at": "2022-09-04T14:42:56.277372Z",
"structure_string": "Ti2 S4\n1.0\n1.708315 2.959039 0.000000\n-1.708315 2.959039 0.000000\n0.000000 2.202636 17.189422\nTi S\n2 4\ndirect\n0.564371 0.564371 0.829793 Ti\n0.435629 0.435629 0.170207 Ti\n0.927451 0.927451 0.747190 S\n0.072549 0.072549 0.252810 S\n0.199401 0.199401 0.912114 S\n0.800599 0.800599 0.087886 S\n",
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