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{
"id": "mp-1114004",
"created_at": "2022-09-04T14:47:01.746526Z",
"structure_string": "Rb2 Tl1 Ga1 Cl6\n1.0\n0.000000 5.442851 5.442851\n5.442851 0.000000 5.442851\n5.442851 5.442851 0.000000\nRb Tl Ga Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n0.779351 0.220649 0.220649 Cl\n0.220649 0.220649 0.779351 Cl\n0.220649 0.779351 0.779351 Cl\n0.220649 0.779351 0.220649 Cl\n0.779351 0.220649 0.779351 Cl\n0.779351 0.779351 0.220649 Cl\n",
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{
"id": "mp-1114003",
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"structure_string": "Rb2 Sc1 Tl1 Cl6\n1.0\n0.000000 5.560581 5.560581\n5.560581 0.000000 5.560581\n5.560581 5.560581 0.000000\nRb Sc Tl Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Tl\n0.775306 0.224694 0.224694 Cl\n0.224694 0.224694 0.775306 Cl\n0.224694 0.775306 0.775306 Cl\n0.224694 0.775306 0.224694 Cl\n0.775306 0.224694 0.775306 Cl\n0.775306 0.775306 0.224694 Cl\n",
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"formula_full": "Rb2 Sc1 Tl1 Cl6",
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"spacegroup": 225
},
{
"id": "mp-1114002",
"created_at": "2022-09-04T14:48:05.679770Z",
"structure_string": "Rb2 Tl1 Sb1 Cl6\n1.0\n0.000000 5.695039 5.695039\n5.695039 0.000000 5.695039\n5.695039 5.695039 0.000000\nRb Tl Sb Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sb\n0.766446 0.233554 0.233554 Cl\n0.233554 0.233554 0.766446 Cl\n0.233554 0.766446 0.766446 Cl\n0.233554 0.766446 0.233554 Cl\n0.766446 0.233554 0.766446 Cl\n0.766446 0.766446 0.233554 Cl\n",
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"formula_full": "Rb2 Tl1 Sb1 Cl6",
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"updated_at": "2021-11-28T01:38:26.555000Z",
"spacegroup": 225
},
{
"id": "mp-1114001",
"created_at": "2022-09-04T14:42:44.378980Z",
"structure_string": "Rb2 In2 Cl6\n1.0\n0.000000 5.545785 5.545785\n5.545785 0.000000 5.545785\n5.545785 5.545785 0.000000\nRb In Cl\n2 2 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.769153 0.230847 0.230847 Cl\n0.230847 0.230847 0.769153 Cl\n0.230847 0.769153 0.769153 Cl\n0.230847 0.769153 0.230847 Cl\n0.769153 0.230847 0.769153 Cl\n0.769153 0.769153 0.230847 Cl\n",
"nsites": 10,
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"elements": [
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],
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"volume": 341.1293462405233,
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"formula_full": "Rb2 In2 Cl6",
"formula_reduced": "RbInCl3",
"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:35:56.542000Z",
"spacegroup": 225
},
{
"id": "mp-1114000",
"created_at": "2022-09-04T14:45:42.502105Z",
"structure_string": "Rb2 Y1 Tl1 Cl6\n1.0\n0.000000 5.718345 5.718345\n5.718345 0.000000 5.718345\n5.718345 5.718345 0.000000\nRb Y Tl Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Tl\n0.769156 0.230844 0.230844 Cl\n0.230844 0.230844 0.769156 Cl\n0.230844 0.769156 0.769156 Cl\n0.230844 0.769156 0.230844 Cl\n0.769156 0.230844 0.769156 Cl\n0.769156 0.769156 0.230844 Cl\n",
"nsites": 10,
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"Cl"
],
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"formula_full": "Rb2 Y1 Tl1 Cl6",
"formula_reduced": "Rb2YTlCl6",
"formula_anonymous": "ABC2D6",
"energy": -44.52084968999999,
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"updated_at": "2021-11-28T01:37:18.526000Z",
"spacegroup": 225
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{
"id": "mp-11140",
"created_at": "2022-09-04T14:44:59.609778Z",
"structure_string": "Ho8 Sb20\n1.0\n4.226329 0.000000 0.000000\n0.000000 13.169066 0.000000\n0.000000 3.058427 14.319183\nHo Sb\n8 20\ndirect\n0.250000 0.393335 0.770230 Ho\n0.750000 0.606665 0.229770 Ho\n0.250000 0.662163 0.855014 Ho\n0.750000 0.337837 0.144986 Ho\n0.250000 0.669139 0.577661 Ho\n0.750000 0.330861 0.422339 Ho\n0.250000 0.952931 0.361541 Ho\n0.750000 0.047069 0.638459 Ho\n0.250000 0.141776 0.779246 Sb\n0.750000 0.858224 0.220754 Sb\n0.250000 0.143340 0.482171 Sb\n0.750000 0.856660 0.517829 Sb\n0.250000 0.152407 0.171683 Sb\n0.750000 0.847593 0.828317 Sb\n0.250000 0.419816 0.975270 Sb\n0.750000 0.580184 0.024730 Sb\n0.750000 0.030318 0.908291 Sb\n0.250000 0.969682 0.091709 Sb\n0.750000 0.138401 0.322293 Sb\n0.250000 0.861599 0.677707 Sb\n0.750000 0.278557 0.937659 Sb\n0.250000 0.721443 0.062341 Sb\n0.750000 0.284423 0.653315 Sb\n0.250000 0.715577 0.346685 Sb\n0.750000 0.575474 0.734451 Sb\n0.250000 0.424526 0.265549 Sb\n0.750000 0.574407 0.449327 Sb\n0.250000 0.425593 0.550673 Sb\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "Ho-Sb",
"density": 7.823141411718176,
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"volume": 796.9599837042595,
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"formula_full": "Ho8 Sb20",
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"updated_at": "2021-11-28T01:36:51.380000Z",
"spacegroup": 11
},
{
"id": "mp-1114",
"created_at": "2022-09-04T14:43:05.010156Z",
"structure_string": "V2 P2\n1.0\n1.575060 -2.728084 0.000000\n1.575060 2.728084 0.000000\n0.000000 0.000000 6.238218\nV P\n2 2\ndirect\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.333333 0.666667 0.250000 P\n0.666667 0.333333 0.750000 P\n",
"nsites": 4,
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"elements": [
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],
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"density": 5.074561658625349,
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"volume": 53.609947756008516,
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"formula_full": "V2 P2",
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"updated_at": "2021-11-28T01:36:05.428000Z",
"spacegroup": 194
},
{
"id": "mp-1113999",
"created_at": "2022-09-04T14:41:52.858696Z",
"structure_string": "Rb3 Al1 Cl6\n1.0\n0.000000 5.445815 5.445815\n5.445815 0.000000 5.445815\n5.445815 5.445815 0.000000\nRb Al Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Al\n0.784697 0.215303 0.215303 Cl\n0.215303 0.215303 0.784697 Cl\n0.215303 0.784697 0.784697 Cl\n0.215303 0.784697 0.215303 Cl\n0.784697 0.215303 0.784697 Cl\n0.784697 0.784697 0.215303 Cl\n",
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{
"id": "mp-1113997",
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"structure_string": "Rb3 Lu1 Cl6\n1.0\n0.000000 5.692084 5.692084\n5.692084 0.000000 5.692084\n5.692084 5.692084 0.000000\nRb Lu Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Lu\n0.773390 0.226610 0.226610 Cl\n0.226610 0.226610 0.773390 Cl\n0.226610 0.773390 0.773390 Cl\n0.226610 0.773390 0.226610 Cl\n0.773390 0.226610 0.773390 Cl\n0.773390 0.773390 0.226610 Cl\n",
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"volume": 368.8449970444338,
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"formula_full": "Rb3 Lu1 Cl6",
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{
"id": "mp-1113996",
"created_at": "2022-09-04T14:48:20.537679Z",
"structure_string": "Rb3 Ga1 Cl6\n1.0\n0.000000 5.490907 5.490907\n5.490907 0.000000 5.490907\n5.490907 5.490907 0.000000\nRb Ga Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ga\n0.781862 0.218138 0.218138 Cl\n0.218138 0.218138 0.781862 Cl\n0.218138 0.781862 0.781862 Cl\n0.218138 0.781862 0.218138 Cl\n0.781862 0.218138 0.781862 Cl\n0.781862 0.781862 0.218138 Cl\n",
"nsites": 10,
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"volume": 331.1023475237504,
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"formula_full": "Rb3 Ga1 Cl6",
"formula_reduced": "Rb3GaCl6",
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"energy": -36.63466939,
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{
"id": "mp-1113994",
"created_at": "2022-09-04T14:41:53.981060Z",
"structure_string": "Rb2 Tl2 Cl6\n1.0\n0.000000 5.632087 5.632087\n5.632087 0.000000 5.632087\n5.632087 5.632087 0.000000\nRb Tl Cl\n2 2 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.765958 0.234042 0.234042 Cl\n0.234042 0.234042 0.765958 Cl\n0.234042 0.765958 0.765958 Cl\n0.234042 0.765958 0.234042 Cl\n0.765958 0.234042 0.765958 Cl\n0.765958 0.765958 0.234042 Cl\n",
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"volume": 357.304149731101,
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"formula_full": "Rb2 Tl2 Cl6",
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{
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"structure_string": "Rb3 Tl1 Cl6\n1.0\n0.000000 5.715160 5.715160\n5.715160 0.000000 5.715160\n5.715160 5.715160 0.000000\nRb Tl Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Tl\n0.771113 0.228887 0.228887 Cl\n0.228887 0.228887 0.771113 Cl\n0.228887 0.771113 0.771113 Cl\n0.228887 0.771113 0.228887 Cl\n0.771113 0.228887 0.771113 Cl\n0.771113 0.771113 0.228887 Cl\n",
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}
]
}