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{
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"results": [
{
"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",
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"elements": [
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"density": 2.2490951811417337,
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"volume": 311.8565048072178,
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"formula_full": "Rb3 Cr1 F6",
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{
"id": "mp-19140",
"created_at": "2022-09-04T14:40:37.969836Z",
"structure_string": "K12 Mn4 O16\n1.0\n5.667043 0.000000 3.360907\n-7.280675 -5.853072 5.818180\n0.921403 -9.513630 -1.553638\nK Mn O\n12 4 16\ndirect\n0.875000 0.750000 0.375000 K\n0.375000 0.750000 0.875000 K\n0.625000 0.250000 0.125000 K\n0.125000 0.250000 0.625000 K\n0.687500 0.375000 0.437500 K\n0.187500 0.375000 0.937500 K\n0.437500 0.875000 0.187500 K\n0.937500 0.875000 0.687500 K\n0.312500 0.625000 0.562500 K\n0.812500 0.625000 0.062500 K\n0.062500 0.125000 0.312500 K\n0.562500 0.125000 0.812500 K\n0.250000 0.500000 0.250000 Mn\n0.500000 0.000000 0.500000 Mn\n0.750000 0.500000 0.750000 Mn\n0.000000 0.000000 0.000000 Mn\n0.171129 0.645797 0.183074 O\n0.671129 0.645797 0.683074 O\n0.921129 0.145797 0.933074 O\n0.421129 0.145797 0.433074 O\n0.275332 0.854203 0.566926 O\n0.775332 0.854203 0.066926 O\n0.025332 0.354203 0.316926 O\n0.525332 0.354203 0.816926 O\n0.654756 0.005972 0.642811 O\n0.154756 0.005972 0.142811 O\n0.404756 0.505972 0.392811 O\n0.904756 0.505972 0.892811 O\n0.898783 0.494028 0.607189 O\n0.398783 0.494028 0.107189 O\n0.648783 0.994028 0.357189 O\n0.148783 0.994028 0.857189 O\n",
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"elements": [
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"density": 2.546642970024863,
"density_atomic": 0.05193652645132427,
"volume": 616.1366996691798,
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"formula_full": "K12 Mn4 O16",
"formula_reduced": "K3MnO4",
"formula_anonymous": "AB3C4",
"energy": -185.88543434,
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"updated_at": "2021-11-28T01:35:05.120000Z",
"spacegroup": 121
},
{
"id": "mp-1275810",
"created_at": "2022-09-04T14:40:52.337673Z",
"structure_string": "Li4 Fe6 Te2 O16\n1.0\n-3.016997 1.732499 4.932147\n6.278910 7.249734 4.969447\n-2.972955 5.296823 -0.007910\nLi Fe Te O\n4 6 2 16\ndirect\n0.425903 0.708976 0.439097 Li\n0.925960 0.209002 0.939029 Li\n0.074063 0.791027 0.060990 Li\n0.574092 0.291047 0.560937 Li\n0.500059 0.999976 0.499868 Fe\n0.500097 0.000035 0.999786 Fe\n0.499848 0.499936 0.000077 Fe\n0.999810 0.499984 0.000029 Fe\n0.999998 0.500017 0.499980 Fe\n0.000199 0.999956 0.499901 Fe\n0.249957 0.250041 0.249999 Te\n0.750023 0.749955 0.750064 Te\n0.356042 0.905119 0.380631 O\n0.856041 0.405157 0.880622 O\n0.143934 0.594869 0.119441 O\n0.643932 0.094822 0.619451 O\n0.584833 0.134151 0.147299 O\n0.084789 0.634152 0.647349 O\n0.139716 0.128729 0.592629 O\n0.639680 0.628717 0.092685 O\n0.133314 0.134968 0.146615 O\n0.633294 0.634954 0.646647 O\n0.366705 0.365057 0.353390 O\n0.866697 0.865047 0.853402 O\n0.360324 0.371279 0.907357 O\n0.860320 0.871269 0.407358 O\n0.915199 0.365877 0.352683 O\n0.415170 0.865884 0.852684 O\n",
"nsites": 28,
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"elements": [
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"O"
],
"chemical_system": "Fe-Li-O-Te",
"density": 4.473744911515911,
"density_atomic": 0.08630910127248201,
"volume": 324.4153813119041,
"volume_molar": 6.977411039176286,
"formula_full": "Li4 Fe6 Te2 O16",
"formula_reduced": "Li2Fe3TeO8",
"formula_anonymous": "AB2C3D8",
"energy": -194.50231313,
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"total_magnetization": 2e-07,
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"updated_at": "2021-11-28T01:34:58.548000Z",
"spacegroup": 12
},
{
"id": "mp-1216483",
"created_at": "2022-09-04T14:40:52.592880Z",
"structure_string": "Zn1 Cu15 H24 Cl8 O24\n1.0\n18.588791 -3.482142 0.000000\n18.588791 3.482142 0.000000\n17.936500 0.000000 5.995870\nZn Cu H Cl O\n1 15 24 8 24\ndirect\n0.500000 0.500000 0.500000 Zn\n0.124678 0.625390 0.124678 Cu\n0.375328 0.874126 0.375328 Cu\n0.875322 0.374610 0.875322 Cu\n0.624672 0.125874 0.624672 Cu\n0.375328 0.375328 0.874126 Cu\n0.624672 0.624672 0.125874 Cu\n0.124678 0.124678 0.625390 Cu\n0.875322 0.875322 0.374610 Cu\n0.625390 0.124678 0.124678 Cu\n0.874126 0.375328 0.375328 Cu\n0.374610 0.875322 0.875322 Cu\n0.125874 0.624672 0.624672 Cu\n0.250081 0.250081 0.250081 Cu\n0.000000 0.000000 0.000000 Cu\n0.749919 0.749919 0.749919 Cu\n0.468340 0.870450 0.468340 H\n0.720289 0.117323 0.720289 H\n0.218512 0.620488 0.218512 H\n0.967865 0.371875 0.967865 H\n0.468340 0.468340 0.870450 H\n0.720289 0.720289 0.117323 H\n0.218512 0.218512 0.620488 H\n0.967865 0.967865 0.371875 H\n0.870450 0.468340 0.468340 H\n0.117323 0.720289 0.720289 H\n0.620488 0.218512 0.218512 H\n0.371875 0.967865 0.967865 H\n0.032135 0.628125 0.032135 H\n0.279711 0.882677 0.279711 H\n0.781488 0.379512 0.781488 H\n0.531660 0.129550 0.531660 H\n0.032135 0.032135 0.628125 H\n0.279711 0.279711 0.882677 H\n0.781488 0.781488 0.379512 H\n0.531660 0.531660 0.129550 H\n0.628125 0.032135 0.032135 H\n0.882677 0.279711 0.279711 H\n0.379512 0.781488 0.781488 H\n0.129550 0.531660 0.531660 H\n0.329965 0.329965 0.329965 Cl\n0.580053 0.580053 0.580053 Cl\n0.080009 0.080009 0.080009 Cl\n0.829861 0.829861 0.829861 Cl\n0.170139 0.170139 0.170139 Cl\n0.419947 0.419947 0.419947 Cl\n0.919991 0.919991 0.919991 Cl\n0.670035 0.670035 0.670035 Cl\n0.401013 0.028178 0.401013 O\n0.653514 0.274122 0.653514 O\n0.150960 0.778419 0.150960 O\n0.900163 0.529850 0.900163 O\n0.401013 0.401013 0.028178 O\n0.653514 0.653514 0.274122 O\n0.150960 0.150960 0.778419 O\n0.900163 0.900163 0.529850 O\n0.028178 0.401013 0.401013 O\n0.274122 0.653514 0.653514 O\n0.778419 0.150960 0.150960 O\n0.529850 0.900163 0.900163 O\n0.099837 0.470150 0.099837 O\n0.346486 0.725878 0.346486 O\n0.849040 0.221581 0.849040 O\n0.598987 0.971822 0.598987 O\n0.099837 0.099837 0.470150 O\n0.346486 0.346486 0.725878 O\n0.849040 0.849040 0.221581 O\n0.598987 0.598987 0.971822 O\n0.470150 0.099837 0.099837 O\n0.725878 0.346486 0.346486 O\n0.221581 0.849040 0.849040 O\n0.971822 0.598987 0.598987 O\n",
"nsites": 72,
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"elements": [
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"Cu",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-H-O-Zn",
"density": 3.659036538647474,
"density_atomic": 0.09275827652020062,
"volume": 776.2110584743352,
"volume_molar": 6.492294796668109,
"formula_full": "Zn1 Cu15 H24 Cl8 O24",
"formula_reduced": "ZnCu15H24(ClO3)8",
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"energy": -356.16677111,
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"updated_at": "2021-11-28T01:35:21.702000Z",
"spacegroup": 166
},
{
"id": "mp-1209738",
"created_at": "2022-09-04T14:40:52.749505Z",
"structure_string": "Pr4 Cu2 Ge4 O16\n1.0\n7.774366 4.988869 0.000000\n-7.774366 4.988869 0.000000\n0.000000 2.670700 4.492241\nPr Cu Ge O\n4 2 4 16\ndirect\n0.460512 0.701682 0.181684 Pr\n0.701682 0.460512 0.181684 Pr\n0.199255 0.956895 0.675930 Pr\n0.956895 0.199255 0.675930 Pr\n0.659716 0.073558 0.379150 Cu\n0.073558 0.659716 0.379150 Cu\n0.837229 0.837229 0.375992 Ge\n0.532236 0.111214 0.919334 Ge\n0.111214 0.532236 0.919334 Ge\n0.333463 0.333463 0.972978 Ge\n0.378594 0.911912 0.925935 O\n0.911912 0.378594 0.925935 O\n0.748537 0.934942 0.576790 O\n0.934942 0.748537 0.576790 O\n0.501510 0.501510 0.006244 O\n0.725857 0.244077 0.558928 O\n0.244077 0.725857 0.558928 O\n0.426100 0.241725 0.760755 O\n0.241725 0.426100 0.760755 O\n0.669343 0.669343 0.338238 O\n0.169932 0.169932 0.339845 O\n0.505632 0.159227 0.237601 O\n0.159227 0.505632 0.237601 O\n0.998778 0.998778 0.001146 O\n0.652520 0.001153 0.074273 O\n0.001153 0.652520 0.074273 O\n",
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],
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"formula_full": "Pr4 Cu2 Ge4 O16",
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"spacegroup": 8
},
{
"id": "mp-752462",
"created_at": "2022-09-04T14:40:52.887050Z",
"structure_string": "Cr1 Co2 O6\n1.0\n1.423723 6.308086 0.000000\n-1.423723 6.308086 0.000000\n0.000000 1.375971 5.634354\nCr Co O\n1 2 6\ndirect\n0.000000 0.000000 0.500000 Cr\n0.667710 0.667710 0.161668 Co\n0.332290 0.332290 0.838332 Co\n0.159496 0.159496 0.378735 O\n0.486088 0.486088 0.727818 O\n0.819912 0.819912 0.052445 O\n0.513912 0.513912 0.272182 O\n0.840504 0.840504 0.621265 O\n0.180088 0.180088 0.947555 O\n",
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"volume": 101.20389607996164,
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"formula_full": "Cr1 Co2 O6",
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"energy": -65.44088508,
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"updated_at": "2021-11-28T01:35:09.781000Z",
"spacegroup": 12
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{
"id": "mp-504907",
"created_at": "2022-09-04T14:40:44.219167Z",
"structure_string": "K4 Mo16 O32\n1.0\n6.542158 0.000000 0.000000\n0.000000 10.497645 0.000000\n0.000000 10.172808 10.662187\nK Mo O\n4 16 32\ndirect\n0.866978 0.500000 0.250000 K\n0.133022 0.500000 0.750000 K\n0.364550 0.500000 0.250000 K\n0.635450 0.500000 0.750000 K\n0.871448 0.681071 0.402766 Mo\n0.371449 0.319498 0.097435 Mo\n0.628551 0.319498 0.597435 Mo\n0.628551 0.680502 0.902565 Mo\n0.128552 0.318929 0.597234 Mo\n0.128552 0.681071 0.902766 Mo\n0.371449 0.680502 0.402565 Mo\n0.871448 0.318929 0.097234 Mo\n0.627231 0.990187 0.411203 Mo\n0.627231 0.009813 0.088797 Mo\n0.372769 0.009813 0.588797 Mo\n0.372769 0.990187 0.911203 Mo\n0.125586 0.988425 0.411448 Mo\n0.125586 0.011575 0.088552 Mo\n0.874414 0.011575 0.588552 Mo\n0.874414 0.988425 0.911448 Mo\n0.123418 0.799955 0.411810 O\n0.123418 0.200045 0.088190 O\n0.876582 0.200045 0.588190 O\n0.876582 0.799955 0.911810 O\n0.392114 0.203467 0.587995 O\n0.392114 0.796533 0.912005 O\n0.607886 0.796533 0.412005 O\n0.607886 0.203467 0.087995 O\n0.130045 0.553997 0.398487 O\n0.130045 0.446003 0.101513 O\n0.869955 0.446003 0.601513 O\n0.869955 0.553997 0.898487 O\n0.379901 0.459298 0.593560 O\n0.379901 0.540702 0.906440 O\n0.620099 0.540702 0.406440 O\n0.620099 0.459298 0.093560 O\n0.135629 0.114473 0.795212 O\n0.135629 0.885527 0.704788 O\n0.864371 0.885527 0.204788 O\n0.864371 0.114473 0.295212 O\n0.622426 0.863816 0.041855 O\n0.622426 0.136184 0.458145 O\n0.377574 0.136184 0.958145 O\n0.377574 0.863816 0.541855 O\n0.121856 0.862406 0.043542 O\n0.121856 0.137594 0.456458 O\n0.367046 0.127243 0.288483 O\n0.878144 0.862406 0.543542 O\n0.632954 0.127243 0.788483 O\n0.632954 0.872757 0.711517 O\n0.367046 0.872757 0.211517 O\n0.878144 0.137594 0.956458 O\n",
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"volume": 732.2497057935211,
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"formula_full": "K4 Mo16 O32",
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"energy": -439.84990364,
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{
"id": "mp-1096646",
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"structure_string": "Li2 Y1 Ga1\n1.0\n-5.803646 5.999582 8.494345\n5.803646 -5.999582 8.494345\n5.803646 5.999582 -8.494345\nLi Y Ga\n2 1 1\ndirect\n0.000000 0.233642 0.233642 Li\n0.000000 0.766358 0.766358 Li\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ga\n",
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{
"id": "mp-1183811",
"created_at": "2022-09-04T14:40:37.948600Z",
"structure_string": "Ce2 Mg1 Pb1\n1.0\n0.000000 3.875961 3.875961\n3.875961 0.000000 3.875961\n3.875961 3.875961 0.000000\nCe Mg Pb\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ce\n0.250000 0.250000 0.250000 Ce\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Pb\n",
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