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{
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"results": [
{
"id": "mp-1112758",
"created_at": "2022-09-04T14:42:58.935752Z",
"structure_string": "Cs2 K1 Nd1 Br6\n1.0\n0.000000 6.065344 6.065344\n6.065344 0.000000 6.065344\n6.065344 6.065344 0.000000\nCs K Nd Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Nd\n0.761824 0.238176 0.238176 Br\n0.238176 0.238176 0.761824 Br\n0.238176 0.761824 0.761824 Br\n0.238176 0.761824 0.238176 Br\n0.761824 0.238176 0.761824 Br\n0.761824 0.761824 0.238176 Br\n",
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{
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"structure_string": "Cs2 N6\n1.0\n-3.344316 3.344316 4.086221\n3.344316 -3.344316 4.086221\n3.344316 3.344316 -4.086221\nCs N\n2 6\ndirect\n0.750000 0.750000 0.000000 Cs\n0.250000 0.250000 0.000000 Cs\n0.500000 0.000000 0.500000 N\n0.374178 0.125822 0.500000 N\n0.125822 0.625822 0.751644 N\n0.874178 0.374178 0.248356 N\n0.625822 0.874178 0.500000 N\n0.000000 0.500000 0.500000 N\n",
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{
"id": "mp-558692",
"created_at": "2022-09-04T14:47:13.114846Z",
"structure_string": "Sb8 Cl4 O8 F44\n1.0\n10.534980 0.000000 0.000000\n0.000000 7.776268 0.000000\n0.000000 6.853324 13.428493\nSb Cl O F\n8 4 8 44\ndirect\n0.537576 0.110281 0.226181 Sb\n0.162978 0.283261 0.894302 Sb\n0.337022 0.283261 0.394302 Sb\n0.662978 0.716739 0.605698 Sb\n0.837022 0.716739 0.105698 Sb\n0.962424 0.110281 0.726181 Sb\n0.462424 0.889719 0.773819 Sb\n0.037576 0.889719 0.273819 Sb\n0.167448 0.723153 0.610205 Cl\n0.667448 0.276847 0.889795 Cl\n0.332552 0.723153 0.110205 Cl\n0.832552 0.276847 0.389795 Cl\n0.748664 0.399070 0.409235 O\n0.454295 0.764401 0.063936 O\n0.954295 0.235599 0.436064 O\n0.545705 0.235599 0.936064 O\n0.248664 0.600930 0.090765 O\n0.251336 0.600930 0.590765 O\n0.045705 0.764401 0.563936 O\n0.751336 0.399070 0.909235 O\n0.907898 0.883937 0.169205 F\n0.459171 0.346063 0.136727 F\n0.909643 0.026570 0.305519 F\n0.728372 0.565331 0.547859 F\n0.504035 0.760826 0.541056 F\n0.540829 0.653937 0.863273 F\n0.096793 0.124514 0.170271 F\n0.153688 0.884362 0.371171 F\n0.346312 0.884362 0.871171 F\n0.908759 0.496168 0.219178 F\n0.004035 0.239174 0.958944 F\n0.190849 0.309425 0.316010 F\n0.353122 0.748910 0.729182 F\n0.690849 0.690575 0.183990 F\n0.590357 0.026570 0.805519 F\n0.409643 0.973430 0.194481 F\n0.271130 0.045858 0.497183 F\n0.596793 0.875486 0.329729 F\n0.228372 0.434669 0.952141 F\n0.495965 0.239174 0.458944 F\n0.728870 0.954142 0.502817 F\n0.040829 0.346063 0.636727 F\n0.646878 0.251090 0.270818 F\n0.995965 0.760826 0.041056 F\n0.959171 0.653937 0.363273 F\n0.853122 0.251090 0.770818 F\n0.846312 0.115638 0.628829 F\n0.771130 0.954142 0.002817 F\n0.092102 0.116063 0.830795 F\n0.309151 0.309425 0.816010 F\n0.903207 0.875486 0.829729 F\n0.090357 0.973430 0.694481 F\n0.653688 0.115638 0.128829 F\n0.271628 0.434669 0.452141 F\n0.592102 0.883937 0.669205 F\n0.809151 0.690575 0.683990 F\n0.091241 0.503832 0.780822 F\n0.146878 0.748910 0.229182 F\n0.407898 0.116063 0.330795 F\n0.771628 0.565331 0.047859 F\n0.403207 0.124514 0.670271 F\n0.408759 0.503832 0.280822 F\n0.228870 0.045858 0.997183 F\n0.591241 0.496168 0.719178 F\n",
"nsites": 64,
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"elements": [
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"F"
],
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"density": 3.1393663336409388,
"density_atomic": 0.058176523040039306,
"volume": 1100.1001203862381,
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"formula_full": "Sb8 Cl4 O8 F44",
"formula_reduced": "Sb2ClO2F11",
"formula_anonymous": "AB2C2D11",
"energy": -302.60911545,
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"spacegroup": 14
},
{
"id": "mp-1040051",
"created_at": "2022-09-04T14:44:21.887379Z",
"structure_string": "Li1 Mg30 Ga1 O32\n1.0\n8.504064 0.000000 0.000000\n0.000000 8.504064 0.000000\n0.000000 0.000000 8.507230\nLi Mg Ga O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.249119 0.245088 Mg\n0.000000 0.249119 0.754912 Mg\n0.000000 0.750881 0.245088 Mg\n0.000000 0.750881 0.754912 Mg\n0.500000 0.249928 0.248775 Mg\n0.500000 0.249928 0.751225 Mg\n0.500000 0.750072 0.248775 Mg\n0.500000 0.750072 0.751225 Mg\n0.249119 0.000000 0.245088 Mg\n0.249119 0.000000 0.754912 Mg\n0.249928 0.500000 0.248775 Mg\n0.249928 0.500000 0.751225 Mg\n0.750881 0.000000 0.245088 Mg\n0.750881 0.000000 0.754912 Mg\n0.750072 0.500000 0.248775 Mg\n0.750072 0.500000 0.751225 Mg\n0.247290 0.247290 0.000000 Mg\n0.251014 0.251014 0.500000 Mg\n0.247290 0.752710 0.000000 Mg\n0.251014 0.748986 0.500000 Mg\n0.752710 0.247290 0.000000 Mg\n0.748986 0.251014 0.500000 Mg\n0.752710 0.752710 0.000000 Mg\n0.748986 0.748986 0.500000 Mg\n0.000000 0.000000 0.500000 Ga\n0.254579 0.000000 0.000000 O\n0.244275 0.000000 0.500000 O\n0.250599 0.500000 0.000000 O\n0.248955 0.500000 0.500000 O\n0.745421 0.000000 0.000000 O\n0.755725 0.000000 0.500000 O\n0.749401 0.500000 0.000000 O\n0.751045 0.500000 0.500000 O\n0.249614 0.249614 0.250818 O\n0.249614 0.249614 0.749182 O\n0.249614 0.750386 0.250818 O\n0.249614 0.750386 0.749182 O\n0.750386 0.249614 0.250818 O\n0.750386 0.249614 0.749182 O\n0.750386 0.750386 0.250818 O\n0.750386 0.750386 0.749182 O\n0.000000 0.000000 0.265998 O\n0.000000 0.000000 0.734002 O\n0.000000 0.500000 0.252819 O\n0.000000 0.500000 0.747181 O\n0.500000 0.000000 0.252819 O\n0.500000 0.000000 0.747181 O\n0.500000 0.500000 0.251166 O\n0.500000 0.500000 0.748834 O\n0.000000 0.254579 0.000000 O\n0.000000 0.244275 0.500000 O\n0.000000 0.745421 0.000000 O\n0.000000 0.755725 0.500000 O\n0.500000 0.250599 0.000000 O\n0.500000 0.248955 0.500000 O\n0.500000 0.749401 0.000000 O\n0.500000 0.751045 0.500000 O\n",
"nsites": 64,
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"elements": [
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],
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"density": 3.5567691018285448,
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"formula_full": "Li1 Mg30 Ga1 O32",
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"formula_anonymous": "ABC30D32",
"energy": -403.54430935,
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"updated_at": "2021-11-28T01:36:37.658000Z",
"spacegroup": 123
},
{
"id": "mp-1209520",
"created_at": "2022-09-04T14:40:37.901181Z",
"structure_string": "Rb3 Cr1 F6\n1.0\n-4.232923 -7.280889 1.137759\n-2.684223 6.473708 -0.515470\n0.799411 1.385163 -6.858845\nRb Cr F\n3 1 6\ndirect\n0.000000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Cr\n0.046461 0.251097 0.797445 F\n0.953539 0.748903 0.202555 F\n0.794821 0.745044 0.795007 F\n0.205179 0.254956 0.204993 F\n0.787018 0.997320 0.055146 F\n0.212982 0.002680 0.944854 F\n",
"nsites": 10,
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],
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"density": 2.2490951811417337,
"density_atomic": 0.03206602987544467,
"volume": 311.8565048072178,
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"formula_full": "Rb3 Cr1 F6",
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"formula_anonymous": "AB3C6",
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"spacegroup": 12
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{
"id": "mp-769316",
"created_at": "2022-09-04T14:39:12.028790Z",
"structure_string": "Li10 Nb6 O2 F36\n1.0\n-6.465421 6.465421 4.126245\n6.465421 -6.465421 4.126245\n6.465421 6.465421 -4.126245\nLi Nb O F\n10 6 2 36\ndirect\n0.231313 0.908123 0.156600 Li\n0.731313 0.574713 0.323190 Li\n0.408123 0.731313 0.156600 Li\n0.908123 0.751523 0.676810 Li\n0.869612 0.369612 0.500000 Li\n0.369612 0.869612 0.500000 Li\n0.074713 0.231313 0.323190 Li\n0.574713 0.251523 0.843400 Li\n0.251523 0.408123 0.676810 Li\n0.751523 0.074713 0.843400 Li\n0.245369 0.245369 0.000000 Nb\n0.745369 0.745369 0.000000 Nb\n0.812682 0.312682 0.164222 Nb\n0.312682 0.148460 0.500000 Nb\n0.148460 0.648460 0.835778 Nb\n0.648460 0.812682 0.500000 Nb\n0.028182 0.028182 0.000000 O\n0.528182 0.528182 0.000000 O\n0.431610 0.260055 0.125054 F\n0.931610 0.806557 0.171556 F\n0.762408 0.442447 0.079770 F\n0.262408 0.182638 0.319961 F\n0.639699 0.139699 0.943903 F\n0.139699 0.195796 0.500000 F\n0.580641 0.080641 0.174114 F\n0.080641 0.906527 0.500000 F\n0.790430 0.428848 0.337967 F\n0.290430 0.952463 0.361582 F\n0.069124 0.569124 0.262053 F\n0.569124 0.307071 0.500000 F\n0.942447 0.262408 0.079770 F\n0.442447 0.362677 0.680039 F\n0.260055 0.135001 0.828444 F\n0.760055 0.931610 0.125054 F\n0.928848 0.290430 0.337967 F\n0.428848 0.090881 0.638418 F\n0.952463 0.590881 0.662033 F\n0.452463 0.790430 0.361582 F\n0.806557 0.635001 0.874946 F\n0.306557 0.431610 0.171556 F\n0.682638 0.762408 0.319961 F\n0.182638 0.862677 0.920230 F\n0.307071 0.807071 0.737947 F\n0.807071 0.069124 0.500000 F\n0.590881 0.928848 0.638418 F\n0.090881 0.452463 0.662033 F\n0.906527 0.406527 0.825886 F\n0.406527 0.580641 0.500000 F\n0.195796 0.695796 0.056097 F\n0.695796 0.639699 0.500000 F\n0.362677 0.682638 0.920230 F\n0.862677 0.942447 0.680039 F\n0.635001 0.760055 0.828444 F\n0.135001 0.306557 0.874946 F\n",
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],
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"volume": 689.9357059796386,
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"formula_full": "Li10 Nb6 O2 F36",
"formula_reduced": "Li5Nb3OF18",
"formula_anonymous": "AB3C5D18",
"energy": -334.2660688,
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"spacegroup": 108
},
{
"id": "mp-27478",
"created_at": "2022-09-04T14:39:31.392832Z",
"structure_string": "Na3 Pa1 F8\n1.0\n-2.763863 2.763863 5.510612\n2.763863 -2.763863 5.510612\n2.763863 2.763863 -5.510612\nNa Pa F\n3 1 8\ndirect\n0.250000 0.750000 0.500000 Na\n0.750000 0.250000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Pa\n0.884175 0.884175 0.535294 F\n0.651119 0.651119 0.535294 F\n0.115825 0.115825 0.464706 F\n0.115825 0.651119 0.000000 F\n0.348881 0.348881 0.464706 F\n0.348881 0.884175 0.000000 F\n0.884175 0.348881 0.000000 F\n0.651119 0.115825 0.000000 F\n",
"nsites": 12,
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"volume": 168.38090869012422,
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"formula_full": "Na3 Pa1 F8",
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},
{
"id": "mp-1221449",
"created_at": "2022-09-04T14:43:14.215037Z",
"structure_string": "Na4 Ca4 Si6 O18\n1.0\n5.426712 -5.313290 0.000000\n5.426712 5.313290 0.000000\n0.224474 0.000000 7.591433\nNa Ca Si O\n4 4 6 18\ndirect\n0.485432 0.485432 0.018586 Na\n0.018586 0.485432 0.485432 Na\n0.485432 0.018586 0.485432 Na\n0.754585 0.754585 0.754585 Na\n0.011693 0.011693 0.466571 Ca\n0.466571 0.011693 0.011693 Ca\n0.011693 0.466571 0.011693 Ca\n0.997762 0.997762 0.997762 Ca\n0.719403 0.719403 0.259386 Si\n0.259386 0.719403 0.719403 Si\n0.719403 0.259386 0.719403 Si\n0.284063 0.284063 0.738342 Si\n0.738342 0.284063 0.284063 Si\n0.284063 0.738342 0.284063 Si\n0.796633 0.796633 0.436993 O\n0.436993 0.796633 0.796633 O\n0.796633 0.436993 0.796633 O\n0.206637 0.206637 0.562612 O\n0.562612 0.206637 0.206637 O\n0.206637 0.562612 0.206637 O\n0.791859 0.791859 0.072428 O\n0.072428 0.791859 0.791859 O\n0.791859 0.072428 0.791859 O\n0.209538 0.209538 0.926096 O\n0.926096 0.209538 0.209538 O\n0.209538 0.926096 0.209538 O\n0.250104 0.751898 0.500860 O\n0.500860 0.250104 0.751898 O\n0.751898 0.500860 0.250104 O\n0.500860 0.751898 0.250104 O\n0.250104 0.500860 0.751898 O\n0.751898 0.250104 0.500860 O\n",
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"volume": 437.77812143437717,
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"formula_full": "Na4 Ca4 Si6 O18",
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},
{
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