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{
"id": "mp-998569",
"created_at": "2022-09-04T14:39:23.593308Z",
"structure_string": "In2 Ge2 Cl6\n1.0\n6.759784 -3.944644 0.000000\n6.759784 3.944644 0.000000\n4.457903 0.000000 6.432884\nIn Ge Cl\n2 2 6\ndirect\n0.710151 0.710151 0.710151 In\n0.210151 0.210151 0.210151 In\n0.013147 0.013147 0.013147 Ge\n0.513147 0.513147 0.513147 Ge\n0.806805 0.132369 0.309029 Cl\n0.132369 0.309029 0.806805 Cl\n0.309029 0.806805 0.132369 Cl\n0.809029 0.632369 0.306805 Cl\n0.306805 0.809029 0.632369 Cl\n0.632369 0.306805 0.809029 Cl\n",
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{
"id": "mp-998591",
"created_at": "2022-09-04T14:48:25.337011Z",
"structure_string": "Li2 Sn2 Cl6\n1.0\n6.442671 -3.501020 0.000000\n6.442671 3.501020 0.000000\n4.540177 0.000000 5.757773\nLi Sn Cl\n2 2 6\ndirect\n0.693998 0.693998 0.693998 Li\n0.193998 0.193998 0.193998 Li\n0.998280 0.998280 0.998280 Sn\n0.498280 0.498280 0.498280 Sn\n0.027889 0.412657 0.838676 Cl\n0.412657 0.838676 0.027889 Cl\n0.838676 0.027889 0.412657 Cl\n0.527889 0.338676 0.912657 Cl\n0.912657 0.527889 0.338676 Cl\n0.338676 0.912657 0.527889 Cl\n",
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"formula_full": "Li2 Sn2 Cl6",
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"spacegroup": 161
},
{
"id": "mp-998592",
"created_at": "2022-09-04T14:42:45.710385Z",
"structure_string": "Rb4 Ca4 I12\n1.0\n4.733123 0.000000 0.000000\n0.000000 10.509061 0.000000\n0.000000 0.000000 17.670616\nRb Ca I\n4 4 12\ndirect\n0.750000 0.579010 0.173385 Rb\n0.250000 0.420990 0.826615 Rb\n0.750000 0.079010 0.326615 Rb\n0.250000 0.920990 0.673385 Rb\n0.250000 0.663199 0.441533 Ca\n0.750000 0.336801 0.558467 Ca\n0.250000 0.163199 0.058467 Ca\n0.750000 0.836801 0.941533 Ca\n0.750000 0.833248 0.503978 I\n0.250000 0.166752 0.496022 I\n0.750000 0.333248 0.996022 I\n0.250000 0.666752 0.003978 I\n0.250000 0.527266 0.604012 I\n0.750000 0.472734 0.395988 I\n0.250000 0.027266 0.895988 I\n0.750000 0.972734 0.104012 I\n0.250000 0.794411 0.286621 I\n0.750000 0.205589 0.713379 I\n0.250000 0.294411 0.213379 I\n0.750000 0.705589 0.786621 I\n",
"nsites": 20,
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"elements": [
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"chemical_system": "Ca-I-Rb",
"density": 3.8257680240251233,
"density_atomic": 0.022754463631138932,
"volume": 878.9484263048278,
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"formula_full": "Rb4 Ca4 I12",
"formula_reduced": "RbCaI3",
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"spacegroup": 62
},
{
"id": "mp-998599",
"created_at": "2022-09-04T14:47:43.596019Z",
"structure_string": "K2 Ca2 Br6\n1.0\n2.154679 -7.212305 0.000000\n2.154679 7.212305 0.000000\n0.000000 0.000000 10.856991\nK Ca Br\n2 2 6\ndirect\n0.743867 0.256133 0.750000 K\n0.256133 0.743867 0.250000 K\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.631793 0.368207 0.444645 Br\n0.368207 0.631793 0.944645 Br\n0.631793 0.368207 0.055355 Br\n0.368207 0.631793 0.555355 Br\n0.070737 0.929263 0.750000 Br\n0.929263 0.070737 0.250000 Br\n",
"nsites": 10,
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"volume": 337.43966922067455,
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"formula_full": "K2 Ca2 Br6",
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"updated_at": "2021-11-28T01:38:21.798000Z",
"spacegroup": 63
},
{
"id": "mp-9986",
"created_at": "2022-09-04T14:42:50.248224Z",
"structure_string": "Cs4 Au4 O4\n1.0\n-5.202714 5.202714 3.158928\n5.202714 -5.202714 3.158928\n5.202714 5.202714 -3.158928\nCs Au O\n4 4 4\ndirect\n0.500000 0.801265 0.301265 Cs\n0.801265 0.500000 0.301265 Cs\n0.198735 0.500000 0.698735 Cs\n0.500000 0.198735 0.698735 Cs\n0.144669 0.144669 0.289339 Au\n0.144669 0.855331 0.000000 Au\n0.855331 0.144669 0.000000 Au\n0.855331 0.855331 0.710661 Au\n0.000000 0.280164 0.280164 O\n0.280164 0.000000 0.280164 O\n0.719836 0.000000 0.719836 O\n0.000000 0.719836 0.719836 O\n",
"nsites": 12,
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"elements": [
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"Au",
"O"
],
"chemical_system": "Au-Cs-O",
"density": 6.716826689003051,
"density_atomic": 0.035085011381187234,
"volume": 342.0263961047042,
"volume_molar": 17.164425841483702,
"formula_full": "Cs4 Au4 O4",
"formula_reduced": "CsAuO",
"formula_anonymous": "ABC",
"energy": -49.25544776,
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"updated_at": "2021-11-28T01:35:49.390000Z",
"spacegroup": 139
},
{
"id": "mp-998601",
"created_at": "2022-09-04T14:41:53.182450Z",
"structure_string": "K1 Ca1 Cl3\n1.0\n3.824314 3.822865 0.000000\n-3.824314 3.822865 0.000000\n0.000000 0.000528 5.406517\nK Ca Cl\n1 1 3\ndirect\n0.998047 0.998047 0.000015 K\n0.497894 0.497894 0.514787 Ca\n0.999421 0.495523 0.517224 Cl\n0.507289 0.507289 0.014859 Cl\n0.495523 0.999421 0.517224 Cl\n",
"nsites": 5,
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"density": 1.9488821355715602,
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"volume": 158.08478525203168,
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"formula_full": "K1 Ca1 Cl3",
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"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:35:34.691000Z",
"spacegroup": 8
},
{
"id": "mp-998602",
"created_at": "2022-09-04T14:46:42.739203Z",
"structure_string": "Rb2 Os2 O6\n1.0\n6.452837 -2.764938 0.000000\n6.452837 2.764938 0.000000\n5.268105 0.000000 4.640157\nRb Os O\n2 2 6\ndirect\n0.864296 0.864296 0.864296 Rb\n0.135704 0.135704 0.135704 Rb\n0.665825 0.665825 0.665825 Os\n0.334175 0.334175 0.334175 Os\n0.648115 0.055141 0.468228 O\n0.468228 0.648115 0.055141 O\n0.055141 0.468228 0.648115 O\n0.351885 0.944859 0.531772 O\n0.944859 0.531772 0.351885 O\n0.531772 0.351885 0.944859 O\n",
"nsites": 10,
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"elements": [
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"O"
],
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"density": 6.492585281064267,
"density_atomic": 0.060395034959321484,
"volume": 165.5765247380916,
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"formula_full": "Rb2 Os2 O6",
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"updated_at": "2021-11-28T01:37:45.303000Z",
"spacegroup": 148
},
{
"id": "mp-998603",
"created_at": "2022-09-04T14:42:17.775726Z",
"structure_string": "Rb2 Pb2 Br6\n1.0\n2.258004 -7.534092 0.000000\n2.258004 7.534092 0.000000\n0.000000 0.000000 11.342923\nRb Pb Br\n2 2 6\ndirect\n0.745659 0.254341 0.750000 Rb\n0.254341 0.745659 0.250000 Rb\n0.000000 0.000000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.633206 0.366794 0.444759 Br\n0.366794 0.633206 0.944759 Br\n0.633206 0.366794 0.055241 Br\n0.366794 0.633206 0.555241 Br\n0.071701 0.928299 0.750000 Br\n0.928299 0.071701 0.250000 Br\n",
"nsites": 10,
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],
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"volume": 385.93183611502013,
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"formula_full": "Rb2 Pb2 Br6",
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{
"id": "mp-998604",
"created_at": "2022-09-04T14:40:35.072314Z",
"structure_string": "Rb2 Pb2 Cl6\n1.0\n2.167136 -7.227711 0.000000\n2.167136 7.227711 0.000000\n0.000000 0.000000 10.753737\nRb Pb Cl\n2 2 6\ndirect\n0.747808 0.252192 0.750000 Rb\n0.252192 0.747808 0.250000 Rb\n0.000000 0.000000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.632503 0.367497 0.443931 Cl\n0.367497 0.632503 0.943931 Cl\n0.632503 0.367497 0.056069 Cl\n0.367497 0.632503 0.556069 Cl\n0.074908 0.925092 0.750000 Cl\n0.925092 0.074908 0.250000 Cl\n",
"nsites": 10,
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"volume": 336.88087166850636,
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"formula_full": "Rb2 Pb2 Cl6",
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{
"id": "mp-998605",
"created_at": "2022-09-04T14:47:24.936763Z",
"structure_string": "Rb1 Pb1 Cl3\n1.0\n4.045231 4.040045 0.000000\n-4.045231 4.040045 0.000000\n0.000000 0.012929 5.713931\nRb Pb Cl\n1 1 3\ndirect\n0.005214 0.005214 0.998873 Rb\n0.504107 0.504107 0.485733 Pb\n0.505607 0.003801 0.483469 Cl\n0.492093 0.492093 0.984842 Cl\n0.003801 0.505607 0.483469 Cl\n",
"nsites": 5,
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"volume": 186.76458044490604,
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"formula_full": "Rb1 Pb1 Cl3",
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"spacegroup": 8
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{
"id": "mp-998606",
"created_at": "2022-09-04T14:44:11.628746Z",
"structure_string": "Rb2 Tl2 Br6\n1.0\n7.124917 -4.114640 0.000000\n7.124917 4.114640 0.000000\n4.748712 0.000000 6.718961\nRb Tl Br\n2 2 6\ndirect\n0.726402 0.726402 0.726402 Rb\n0.226402 0.226402 0.226402 Rb\n0.995387 0.995387 0.995387 Tl\n0.495387 0.495387 0.495387 Tl\n0.755456 0.173320 0.320934 Br\n0.173320 0.320934 0.755456 Br\n0.320934 0.755456 0.173320 Br\n0.820934 0.673320 0.255456 Br\n0.255456 0.820934 0.673320 Br\n0.673320 0.255456 0.820934 Br\n",
"nsites": 10,
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"elements": [
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],
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"volume": 393.9524168152756,
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"formula_full": "Rb2 Tl2 Br6",
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"spacegroup": 161
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{
"id": "mp-998607",
"created_at": "2022-09-04T14:42:48.748325Z",
"structure_string": "Rb1 Tl1 F3\n1.0\n-0.018344 -4.745899 -0.090565\n-4.749465 0.006318 -0.049288\n0.018174 0.036053 -4.749028\nRb Tl F\n1 1 3\ndirect\n0.991984 0.996498 0.992344 Rb\n0.485986 0.498669 0.494845 Tl\n0.485128 0.998921 0.495011 F\n0.985284 0.508070 0.512691 F\n0.491620 0.497843 0.995107 F\n",
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}
]
}