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{
"id": "mp-998602",
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"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",
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{
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"spacegroup": 8
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{
"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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"chemical_system": "Au-Cs-O",
"density": 6.716826689003051,
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"volume": 342.0263961047042,
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"formula_full": "Cs4 Au4 O4",
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"updated_at": "2021-11-28T01:35:49.390000Z",
"spacegroup": 139
},
{
"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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"elements": [
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"density": 3.138495727278393,
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"volume": 337.43966922067455,
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"formula_full": "K2 Ca2 Br6",
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"spacegroup": 63
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{
"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,
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"volume": 878.9484263048278,
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"formula_full": "Rb4 Ca4 I12",
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"energy": -66.53594032,
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"updated_at": "2021-11-28T01:35:48.780000Z",
"spacegroup": 62
},
{
"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",
"nsites": 10,
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],
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"volume": 259.7437346135296,
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"formula_full": "Li2 Sn2 Cl6",
"formula_reduced": "LiSnCl3",
"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:39:12.125000Z",
"spacegroup": 161
},
{
"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",
"nsites": 10,
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],
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"density": 2.844327916870299,
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"volume": 343.0649497460598,
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"formula_full": "In2 Ge2 Cl6",
"formula_reduced": "InGeCl3",
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"spacegroup": 161
},
{
"id": "mp-998568",
"created_at": "2022-09-04T14:40:28.838048Z",
"structure_string": "K1 Ag1 Br3\n1.0\n5.418229 0.000000 0.000000\n0.000000 5.418229 0.000000\n0.000000 0.000000 5.417086\nK Ag Br\n1 1 3\ndirect\n0.000000 0.000000 0.001396 K\n0.500000 0.500000 0.514687 Ag\n0.000000 0.500000 0.515677 Br\n0.500000 0.500000 0.014711 Br\n0.500000 0.000000 0.515677 Br\n",
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"density": 4.037557120362439,
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"spacegroup": 99
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{
"id": "mp-998567",
"created_at": "2022-09-04T14:39:13.710008Z",
"structure_string": "In2 Sn2 Cl6\n1.0\n7.089595 -3.987205 0.000000\n7.089595 3.987205 0.000000\n4.847181 0.000000 6.531845\nIn Sn Cl\n2 2 6\ndirect\n0.861290 0.861290 0.861290 In\n0.138710 0.138710 0.138710 In\n0.663784 0.663784 0.663784 Sn\n0.336216 0.336216 0.336216 Sn\n0.735001 0.012305 0.483150 Cl\n0.483150 0.735001 0.012305 Cl\n0.012305 0.483150 0.735001 Cl\n0.264999 0.987695 0.516850 Cl\n0.987695 0.516850 0.264999 Cl\n0.516850 0.264999 0.987695 Cl\n",
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{
"id": "mp-998561",
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"structure_string": "Cs2 Sr2 Cl6\n1.0\n6.909065 -4.047263 0.000000\n6.909065 4.047263 0.000000\n4.538218 0.000000 6.596977\nCs Sr Cl\n2 2 6\ndirect\n0.732811 0.732811 0.732811 Cs\n0.232811 0.232811 0.232811 Cs\n0.993511 0.993511 0.993511 Sr\n0.493511 0.493511 0.493511 Sr\n0.756295 0.176513 0.312371 Cl\n0.176513 0.312371 0.756295 Cl\n0.312371 0.756295 0.176513 Cl\n0.812371 0.676513 0.256295 Cl\n0.256295 0.812371 0.676513 Cl\n0.676513 0.256295 0.812371 Cl\n",
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"formula_full": "Cs2 Sr2 Cl6",
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{
"id": "mp-998560",
"created_at": "2022-09-04T14:40:24.066372Z",
"structure_string": "In1 Sn1 Cl3\n1.0\n3.966624 4.050885 0.000000\n-3.966624 4.050885 0.000000\n0.000000 0.192081 5.773319\nIn Sn Cl\n1 1 3\ndirect\n0.088899 0.088899 0.919564 In\n0.488484 0.488484 0.530839 Sn\n0.007750 0.465901 0.559253 Cl\n0.455298 0.455298 0.988157 Cl\n0.465901 0.007750 0.559253 Cl\n",
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{
"id": "mp-998555",
"created_at": "2022-09-04T14:46:41.270193Z",
"structure_string": "In2 Sn2 Br6\n1.0\n7.176225 -4.089162 0.000000\n7.176225 4.089162 0.000000\n4.846135 0.000000 6.688379\nIn Sn Br\n2 2 6\ndirect\n0.705832 0.705832 0.705832 In\n0.205832 0.205832 0.205832 In\n0.002707 0.002707 0.002707 Sn\n0.502707 0.502707 0.502707 Sn\n0.783763 0.141431 0.337769 Br\n0.141431 0.337769 0.783763 Br\n0.337769 0.783763 0.141431 Br\n0.837769 0.641431 0.283763 Br\n0.283763 0.837769 0.641431 Br\n0.641431 0.283763 0.837769 Br\n",
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}
]
}