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"results": [
{
"id": "mp-1114020",
"created_at": "2022-09-04T14:45:34.167690Z",
"structure_string": "Rb2 Na1 Eu1 Cl6\n1.0\n0.000000 5.458979 5.458979\n5.458979 0.000000 5.458979\n5.458979 5.458979 0.000000\nRb Na Eu 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 Na\n0.000000 0.000000 0.000000 Eu\n0.752082 0.247918 0.247918 Cl\n0.247918 0.247918 0.752082 Cl\n0.247918 0.752082 0.752082 Cl\n0.247918 0.752082 0.247918 Cl\n0.752082 0.247918 0.752082 Cl\n0.752082 0.752082 0.247918 Cl\n",
"nsites": 10,
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"elements": [
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"formula_full": "Rb2 Na1 Eu1 Cl6",
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"spacegroup": 225
},
{
"id": "mp-1114019",
"created_at": "2022-09-04T14:43:13.132015Z",
"structure_string": "Rb2 Na1 Gd1 Cl6\n1.0\n0.000000 5.426188 5.426188\n5.426188 0.000000 5.426188\n5.426188 5.426188 0.000000\nRb Na Gd 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 Na\n0.000000 0.000000 0.000000 Gd\n0.754636 0.245364 0.245364 Cl\n0.245364 0.245364 0.754636 Cl\n0.245364 0.754636 0.754636 Cl\n0.245364 0.754636 0.245364 Cl\n0.754636 0.245364 0.754636 Cl\n0.754636 0.754636 0.245364 Cl\n",
"nsites": 10,
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"elements": [
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],
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"density": 2.9304315392028584,
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"volume": 319.5321086876005,
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"formula_full": "Rb2 Na1 Gd1 Cl6",
"formula_reduced": "Rb2NaGdCl6",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:36:00.875000Z",
"spacegroup": 225
},
{
"id": "mp-1114018",
"created_at": "2022-09-04T14:48:14.124429Z",
"structure_string": "Rb2 Na1 La1 Cl6\n1.0\n0.000000 5.534199 5.534199\n5.534199 0.000000 5.534199\n5.534199 5.534199 0.000000\nRb Na La 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 Na\n0.000000 0.000000 0.000000 La\n0.749871 0.250129 0.250129 Cl\n0.250129 0.250129 0.749871 Cl\n0.250129 0.749871 0.749871 Cl\n0.250129 0.749871 0.250129 Cl\n0.749871 0.250129 0.749871 Cl\n0.749871 0.749871 0.250129 Cl\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Cl-La-Na-Rb",
"density": 2.6723197615922345,
"density_atomic": 0.029498891037580993,
"volume": 338.9957943591914,
"volume_molar": 20.414803906790645,
"formula_full": "Rb2 Na1 La1 Cl6",
"formula_reduced": "Rb2NaLaCl6",
"formula_anonymous": "ABC2D6",
"energy": -43.99892327,
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"band_gap": 4.6431,
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"updated_at": "2021-11-28T01:38:35.725000Z",
"spacegroup": 225
},
{
"id": "mp-1114017",
"created_at": "2022-09-04T14:41:29.643001Z",
"structure_string": "Rb2 Na1 In1 Br6\n1.0\n0.000000 5.623970 5.623970\n5.623970 0.000000 5.623970\n5.623970 5.623970 0.000000\nRb Na In Br\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 Na\n0.000000 0.000000 0.000000 In\n0.759378 0.240622 0.240622 Br\n0.240622 0.240622 0.759378 Br\n0.240622 0.759378 0.759378 Br\n0.240622 0.759378 0.240622 Br\n0.759378 0.240622 0.759378 Br\n0.759378 0.759378 0.240622 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"In",
"Br"
],
"chemical_system": "Br-In-Na-Rb",
"density": 3.6788202341627003,
"density_atomic": 0.02810871669142849,
"volume": 355.76152799068956,
"volume_molar": 21.424459985526127,
"formula_full": "Rb2 Na1 In1 Br6",
"formula_reduced": "Rb2NaInBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.656716509999995,
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"updated_at": "2021-11-28T01:35:27.765000Z",
"spacegroup": 225
},
{
"id": "mp-1114016",
"created_at": "2022-09-04T14:39:27.785715Z",
"structure_string": "Rb2 Na1 Sc1 Br6\n1.0\n0.000000 5.578141 5.578141\n5.578141 0.000000 5.578141\n5.578141 5.578141 0.000000\nRb Na Sc Br\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 Na\n0.000000 0.000000 0.000000 Sc\n0.761580 0.238420 0.238420 Br\n0.238420 0.238420 0.761580 Br\n0.238420 0.761580 0.761580 Br\n0.238420 0.761580 0.238420 Br\n0.761580 0.238420 0.761580 Br\n0.761580 0.761580 0.238420 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Sc",
"Br"
],
"chemical_system": "Br-Na-Rb-Sc",
"density": 3.4360517641461956,
"density_atomic": 0.02880723270280333,
"volume": 347.13504428444685,
"volume_molar": 20.904960994097724,
"formula_full": "Rb2 Na1 Sc1 Br6",
"formula_reduced": "Rb2NaScBr6",
"formula_anonymous": "ABC2D6",
"energy": -39.98763002,
"energy_per_atom": -3.9987630019999996,
"energy_above_hull": null,
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"band_gap": 3.1115,
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"total_magnetization": 0.0009806,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.252000Z",
"spacegroup": 225
},
{
"id": "mp-1114015",
"created_at": "2022-09-04T14:45:20.888544Z",
"structure_string": "Rb2 Na1 Tb1 Cl6\n1.0\n0.000000 5.410070 5.410070\n5.410070 0.000000 5.410070\n5.410070 5.410070 0.000000\nRb Na Tb 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 Na\n0.000000 0.000000 0.000000 Tb\n0.755476 0.244524 0.244524 Cl\n0.244524 0.244524 0.755476 Cl\n0.244524 0.755476 0.755476 Cl\n0.244524 0.755476 0.244524 Cl\n0.755476 0.244524 0.755476 Cl\n0.755476 0.755476 0.244524 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Na",
"Tb",
"Cl"
],
"chemical_system": "Cl-Na-Rb-Tb",
"density": 2.9654856709159723,
"density_atomic": 0.03157630811146257,
"volume": 316.6931347610547,
"volume_molar": 19.0717063525672,
"formula_full": "Rb2 Na1 Tb1 Cl6",
"formula_reduced": "Rb2NaTbCl6",
"formula_anonymous": "ABC2D6",
"energy": -43.62714639,
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"updated_at": "2021-11-28T01:37:00.991000Z",
"spacegroup": 225
},
{
"id": "mp-1114014",
"created_at": "2022-09-04T14:39:43.143590Z",
"structure_string": "Rb2 Na1 Sm1 Cl6\n1.0\n0.000000 5.456087 5.456087\n5.456087 0.000000 5.456087\n5.456087 5.456087 0.000000\nRb Na Sm 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 Na\n0.000000 0.000000 0.000000 Sm\n0.753274 0.246726 0.246726 Cl\n0.246726 0.246726 0.753274 Cl\n0.246726 0.753274 0.753274 Cl\n0.246726 0.753274 0.246726 Cl\n0.753274 0.246726 0.753274 Cl\n0.753274 0.753274 0.246726 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Sm",
"Cl"
],
"chemical_system": "Cl-Na-Rb-Sm",
"density": 2.847298922541002,
"density_atomic": 0.03078407752798402,
"volume": 324.8432567423721,
"volume_molar": 19.562518170393844,
"formula_full": "Rb2 Na1 Sm1 Cl6",
"formula_reduced": "Rb2NaSmCl6",
"formula_anonymous": "ABC2D6",
"energy": -43.56441963,
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"updated_at": "2021-11-28T01:34:27.064000Z",
"spacegroup": 225
},
{
"id": "mp-1114011",
"created_at": "2022-09-04T14:46:02.910995Z",
"structure_string": "Rb2 Na1 Tl1 Br6\n1.0\n0.000000 5.695854 5.695854\n5.695854 0.000000 5.695854\n5.695854 5.695854 0.000000\nRb Na Tl Br\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 Na\n0.000000 0.000000 0.000000 Tl\n0.755940 0.244060 0.244060 Br\n0.244060 0.244060 0.755940 Br\n0.244060 0.755940 0.755940 Br\n0.244060 0.755940 0.244060 Br\n0.755940 0.244060 0.755940 Br\n0.755940 0.755940 0.244060 Br\n",
"nsites": 10,
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"elements": [
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],
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"density_atomic": 0.027057860812896035,
"volume": 369.5783664920733,
"volume_molar": 22.25652944866133,
"formula_full": "Rb2 Na1 Tl1 Br6",
"formula_reduced": "Rb2NaTlBr6",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:37:20.695000Z",
"spacegroup": 225
},
{
"id": "mp-1114010",
"created_at": "2022-09-04T14:42:12.777637Z",
"structure_string": "Rb2 Al1 Tl1 Br6\n1.0\n0.000000 5.703219 5.703219\n5.703219 0.000000 5.703219\n5.703219 5.703219 0.000000\nRb Al Tl Br\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 Al\n0.500000 0.500000 0.500000 Tl\n0.778166 0.221834 0.221834 Br\n0.221834 0.221834 0.778166 Br\n0.221834 0.778166 0.778166 Br\n0.221834 0.778166 0.221834 Br\n0.778166 0.221834 0.778166 Br\n0.778166 0.778166 0.221834 Br\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Al-Br-Rb-Tl",
"density": 3.946315782883873,
"density_atomic": 0.026953170509692904,
"volume": 371.01386630577645,
"volume_molar": 22.34297726805207,
"formula_full": "Rb2 Al1 Tl1 Br6",
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"formula_anonymous": "ABC2D6",
"energy": -34.16563871,
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"updated_at": "2021-11-28T01:35:38.159000Z",
"spacegroup": 225
},
{
"id": "mp-1114009",
"created_at": "2022-09-04T14:41:56.137376Z",
"structure_string": "Rb2 Tl1 As1 Cl6\n1.0\n0.000000 5.530453 5.530453\n5.530453 0.000000 5.530453\n5.530453 5.530453 0.000000\nRb Tl As 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 As\n0.772828 0.227172 0.227172 Cl\n0.227172 0.227172 0.772828 Cl\n0.227172 0.772828 0.772828 Cl\n0.227172 0.772828 0.227172 Cl\n0.772828 0.227172 0.772828 Cl\n0.772828 0.772828 0.227172 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"As",
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],
"chemical_system": "As-Cl-Rb-Tl",
"density": 3.254043298596242,
"density_atomic": 0.029558874032165432,
"volume": 338.3078796952205,
"volume_molar": 20.37337671741764,
"formula_full": "Rb2 Tl1 As1 Cl6",
"formula_reduced": "Rb2TlAsCl6",
"formula_anonymous": "ABC2D6",
"energy": -36.3229545,
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"updated_at": "2021-11-28T01:35:32.462000Z",
"spacegroup": 225
},
{
"id": "mp-1114008",
"created_at": "2022-09-04T14:44:53.261471Z",
"structure_string": "Rb2 Al1 Tl1 Cl6\n1.0\n0.000000 5.406528 5.406528\n5.406528 0.000000 5.406528\n5.406528 5.406528 0.000000\nRb Al 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 Al\n0.500000 0.500000 0.500000 Tl\n0.782792 0.217208 0.217208 Cl\n0.217208 0.217208 0.782792 Cl\n0.217208 0.782792 0.782792 Cl\n0.217208 0.782792 0.217208 Cl\n0.782792 0.217208 0.782792 Cl\n0.782792 0.782792 0.217208 Cl\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Al-Cl-Rb-Tl",
"density": 3.231110931704896,
"density_atomic": 0.03163840891164132,
"volume": 316.0715201553802,
"volume_molar": 19.034271846028766,
"formula_full": "Rb2 Al1 Tl1 Cl6",
"formula_reduced": "Rb2AlTlCl6",
"formula_anonymous": "ABC2D6",
"energy": -38.79459033,
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"total_magnetization": 7.91e-05,
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"updated_at": "2021-11-28T01:36:42.865000Z",
"spacegroup": 225
},
{
"id": "mp-1114007",
"created_at": "2022-09-04T14:42:14.423911Z",
"structure_string": "Rb2 Tl1 Ga1 Br6\n1.0\n0.000000 5.726350 5.726350\n5.726350 0.000000 5.726350\n5.726350 5.726350 0.000000\nRb Tl Ga Br\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\n0.774744 0.225256 0.225256 Br\n0.225256 0.225256 0.774744 Br\n0.225256 0.774744 0.774744 Br\n0.225256 0.774744 0.225256 Br\n0.774744 0.225256 0.774744 Br\n0.774744 0.774744 0.225256 Br\n",
"nsites": 10,
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"elements": [
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"Ga",
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],
"chemical_system": "Br-Ga-Rb-Tl",
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"volume": 375.54645142029574,
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"formula_full": "Rb2 Tl1 Ga1 Br6",
"formula_reduced": "Rb2TlGaBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.10382758,
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"updated_at": "2021-11-28T01:35:36.567000Z",
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}
]
}