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"results": [
{
"id": "mp-998535",
"created_at": "2022-09-04T14:47:39.154978Z",
"structure_string": "In1 Pb1 Cl3\n1.0\n4.031924 4.112962 0.000000\n-4.031924 4.112962 0.000000\n0.000000 0.023409 5.756954\nIn Pb Cl\n1 1 3\ndirect\n0.895736 0.895736 0.919182 In\n0.498881 0.498881 0.500285 Pb\n0.539531 0.539531 0.998321 Cl\n0.554893 0.001159 0.544964 Cl\n0.001159 0.554893 0.544964 Cl\n",
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{
"id": "mp-998536",
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"structure_string": "Rb4 Ca4 Br12\n1.0\n4.419521 0.000000 0.000000\n0.000000 9.846748 0.000000\n0.000000 0.000000 16.384025\nRb Ca Br\n4 4 12\ndirect\n0.250000 0.569749 0.678723 Rb\n0.750000 0.430251 0.321277 Rb\n0.250000 0.069749 0.821277 Rb\n0.750000 0.930251 0.178723 Rb\n0.750000 0.669124 0.944669 Ca\n0.250000 0.330876 0.055331 Ca\n0.750000 0.169124 0.555331 Ca\n0.250000 0.830876 0.444669 Ca\n0.250000 0.832499 0.008792 Br\n0.750000 0.167501 0.991208 Br\n0.250000 0.332499 0.491208 Br\n0.750000 0.667501 0.508792 Br\n0.750000 0.518181 0.101143 Br\n0.250000 0.481819 0.898857 Br\n0.750000 0.018181 0.398857 Br\n0.250000 0.981819 0.601143 Br\n0.750000 0.790407 0.788501 Br\n0.250000 0.209593 0.211499 Br\n0.750000 0.290407 0.711499 Br\n0.250000 0.709593 0.288501 Br\n",
"nsites": 20,
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"elements": [
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"formula_full": "Rb4 Ca4 Br12",
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"updated_at": "2021-11-28T01:35:11.308000Z",
"spacegroup": 62
},
{
"id": "mp-998537",
"created_at": "2022-09-04T14:47:16.217522Z",
"structure_string": "Zn2 Ag2 F6\n1.0\n5.746155 -2.769085 0.000000\n5.746155 2.769085 0.000000\n4.411728 0.000000 4.606820\nZn Ag F\n2 2 6\ndirect\n0.658815 0.658815 0.658815 Zn\n0.341185 0.341185 0.341185 Zn\n0.858426 0.858426 0.858426 Ag\n0.141574 0.141574 0.141574 Ag\n0.691292 0.058732 0.459022 F\n0.459022 0.691292 0.058732 F\n0.058732 0.459022 0.691292 F\n0.308708 0.941268 0.540978 F\n0.941268 0.540978 0.308708 F\n0.540978 0.308708 0.941268 F\n",
"nsites": 10,
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"density": 5.216463051046796,
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"volume": 146.60367699688192,
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"formula_full": "Zn2 Ag2 F6",
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"updated_at": "2021-11-28T01:38:04.079000Z",
"spacegroup": 148
},
{
"id": "mp-998543",
"created_at": "2022-09-04T14:48:22.162457Z",
"structure_string": "Ca2 Tc2 O6\n1.0\n4.745100 -2.779760 0.000000\n4.745100 2.779760 0.000000\n3.116670 0.000000 4.530939\nCa Tc O\n2 2 6\ndirect\n0.735018 0.735018 0.735018 Ca\n0.235018 0.235018 0.235018 Ca\n0.995018 0.995018 0.995018 Tc\n0.495018 0.495018 0.495018 Tc\n0.327683 0.750061 0.163727 O\n0.750061 0.163727 0.327683 O\n0.163727 0.327683 0.750061 O\n0.250061 0.827683 0.663727 O\n0.663727 0.250061 0.827683 O\n0.827683 0.663727 0.250061 O\n",
"nsites": 10,
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"elements": [
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"Tc",
"O"
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"density": 5.170101151039446,
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"volume": 119.52833820373253,
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"formula_full": "Ca2 Tc2 O6",
"formula_reduced": "CaTcO3",
"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:39:31.640000Z",
"spacegroup": 161
},
{
"id": "mp-998552",
"created_at": "2022-09-04T14:39:17.269563Z",
"structure_string": "Ba1 Hf1 O3\n1.0\n4.204484 0.000000 0.000000\n0.000000 4.204484 0.000000\n0.000000 0.000000 4.204484\nBa Hf O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Hf\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
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"elements": [
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"O"
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"density": 8.128152154579238,
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"volume": 74.32554670898205,
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"formula_full": "Ba1 Hf1 O3",
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"updated_at": "2021-11-28T01:34:39.771000Z",
"spacegroup": 221
},
{
"id": "mp-998553",
"created_at": "2022-09-04T14:44:01.193018Z",
"structure_string": "K2 Ag2 Br6\n1.0\n6.540504 -3.835873 0.000000\n6.540504 3.835873 0.000000\n4.290842 0.000000 6.251463\nK Ag Br\n2 2 6\ndirect\n0.268153 0.268153 0.268153 K\n0.768153 0.768153 0.768153 K\n0.003031 0.003031 0.003031 Ag\n0.503031 0.503031 0.503031 Ag\n0.809491 0.251628 0.696197 Br\n0.696197 0.809491 0.251628 Br\n0.251628 0.696197 0.809491 Br\n0.309491 0.196197 0.751628 Br\n0.196197 0.751628 0.309491 Br\n0.751628 0.309491 0.196197 Br\n",
"nsites": 10,
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"elements": [
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"Br"
],
"chemical_system": "Ag-Br-K",
"density": 4.093945171863551,
"density_atomic": 0.03187960294819171,
"volume": 313.6801928258402,
"volume_molar": 18.890262748211523,
"formula_full": "K2 Ag2 Br6",
"formula_reduced": "KAgBr3",
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"energy": -29.55902001,
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"updated_at": "2021-11-28T01:36:25.381000Z",
"spacegroup": 161
},
{
"id": "mp-998554",
"created_at": "2022-09-04T14:41:08.817255Z",
"structure_string": "K1 Ag1 Cl3\n1.0\n5.133744 0.000000 0.000000\n0.000000 5.133744 0.000000\n0.000000 0.000000 5.140014\nK Ag Cl\n1 1 3\ndirect\n0.500000 0.500000 0.997811 K\n0.000000 0.000000 0.486040 Ag\n0.500000 0.000000 0.484120 Cl\n0.000000 0.000000 0.985872 Cl\n0.000000 0.500000 0.484120 Cl\n",
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"updated_at": "2021-11-28T01:35:14.561000Z",
"spacegroup": 99
},
{
"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",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Br-In-Sn",
"density": 4.00386388952432,
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"volume": 392.5375734843699,
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"formula_full": "In2 Sn2 Br6",
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"updated_at": "2021-11-28T01:37:43.882000Z",
"spacegroup": 161
},
{
"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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"volume": 185.53527824765155,
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"formula_full": "In1 Sn1 Cl3",
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"updated_at": "2021-11-28T01:34:53.585000Z",
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{
"id": "mp-998561",
"created_at": "2022-09-04T14:44:23.367694Z",
"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",
"nsites": 10,
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"formula_full": "Cs2 Sr2 Cl6",
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"spacegroup": 161
},
{
"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",
"nsites": 10,
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],
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"density": 3.056734997726825,
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"volume": 369.28006003084545,
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"formula_full": "In2 Sn2 Cl6",
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"energy": -37.65207209,
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"spacegroup": 148
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{
"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",
"nsites": 5,
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"formula_full": "K1 Ag1 Br3",
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}
]
}