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{
"id": "mp-862800",
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{
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{
"id": "mp-8583",
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"structure_string": "Ba1 P2 Rh2\n1.0\n-1.992929 1.992929 6.379794\n1.992929 -1.992929 6.379794\n1.992929 1.992929 -6.379794\nBa P Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.649645 0.649645 0.000000 P\n0.350355 0.350355 0.000000 P\n0.750000 0.250000 0.500000 Rh\n0.250000 0.750000 0.500000 Rh\n",
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"formula_full": "Ba1 P2 Rh2",
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"spacegroup": 139
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{
"id": "mp-1205835",
"created_at": "2022-09-04T14:43:05.553551Z",
"structure_string": "Tb3 Mg3 Ga3\n1.0\n3.675681 -6.366466 0.000000\n3.675681 6.366466 0.000000\n0.000000 0.000000 4.416182\nTb Mg Ga\n3 3 3\ndirect\n0.581488 0.000000 0.000000 Tb\n0.000000 0.581488 0.000000 Tb\n0.418512 0.418512 0.000000 Tb\n0.245842 0.000000 0.500000 Mg\n0.000000 0.245842 0.500000 Mg\n0.754158 0.754158 0.500000 Mg\n0.333333 0.666667 0.500000 Ga\n0.666667 0.333333 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n",
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"density": 6.096738828695416,
"density_atomic": 0.043544099434993905,
"volume": 206.6870165367851,
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"formula_full": "Tb3 Mg3 Ga3",
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{
"id": "mp-28497",
"created_at": "2022-09-04T14:40:37.981614Z",
"structure_string": "Cs2 Cr1 Cl4\n1.0\n-2.583459 2.583459 8.451646\n2.583459 -2.583459 8.451646\n2.583459 2.583459 -8.451646\nCs Cr Cl\n2 1 4\ndirect\n0.357788 0.357788 0.000000 Cs\n0.642212 0.642212 0.000000 Cs\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Cl\n0.500000 0.000000 0.500000 Cl\n0.855133 0.855133 0.000000 Cl\n0.144867 0.144867 0.000000 Cl\n",
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"volume": 225.6339450087222,
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"formula_full": "Cs2 Cr1 Cl4",
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{
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"created_at": "2022-09-04T14:43:48.955855Z",
"structure_string": "Ce1 Si2 Ni2\n1.0\n-2.016113 2.016113 4.776303\n2.016113 -2.016113 4.776303\n2.016113 2.016113 -4.776303\nCe Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.627417 0.627417 0.000000 Si\n0.372583 0.372583 0.000000 Si\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n",
"nsites": 5,
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"elements": [
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"density": 6.707269264713748,
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"volume": 77.65717738649704,
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"formula_full": "Ce1 Si2 Ni2",
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"energy": -32.24225911,
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{
"id": "mp-1068422",
"created_at": "2022-09-04T14:41:00.597611Z",
"structure_string": "Eu1 Ge3 Pd1\n1.0\n-2.233901 2.233901 5.184447\n2.233901 -2.233901 5.184447\n2.233901 2.233901 -5.184447\nEu Ge Pd\n1 3 1\ndirect\n0.999609 0.999609 0.000000 Eu\n0.258112 0.758112 0.500000 Ge\n0.758112 0.258112 0.500000 Ge\n0.409201 0.409201 0.000000 Ge\n0.647967 0.647967 0.000000 Pd\n",
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"volume": 103.48806710373742,
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"formula_full": "Eu1 Ge3 Pd1",
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{
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"created_at": "2022-09-04T14:39:33.384312Z",
"structure_string": "Sr1 Mg14 Mo1\n1.0\n6.509183 0.000000 -0.000000\n-3.254592 5.637117 -0.000000\n-0.000000 0.000000 10.220464\nSr Mg Mo\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Sr\n0.178488 0.839244 0.125000 Mg\n0.161477 0.830738 0.625000 Mg\n0.660756 0.321512 0.125000 Mg\n0.669262 0.338523 0.625000 Mg\n0.660756 0.839244 0.125000 Mg\n0.669262 0.830738 0.625000 Mg\n0.331830 0.168170 0.395500 Mg\n0.331830 0.168170 0.854500 Mg\n0.331830 0.663661 0.395500 Mg\n0.331830 0.663661 0.854500 Mg\n0.836339 0.168170 0.395500 Mg\n0.836339 0.168170 0.854500 Mg\n0.833333 0.666667 0.366826 Mg\n0.833333 0.666667 0.883174 Mg\n0.166667 0.333333 0.625000 Mo\n",
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"elements": [
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"density": 2.319451636431571,
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"volume": 375.01975277023195,
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"formula_full": "Sr1 Mg14 Mo1",
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{
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"created_at": "2022-09-04T14:48:21.450997Z",
"structure_string": "Pm2 Ga6\n1.0\n3.216714 -5.571512 0.000000\n3.216714 5.571512 0.000000\n0.000000 0.000000 4.613603\nPm Ga\n2 6\ndirect\n0.333333 0.666667 0.750000 Pm\n0.666667 0.333333 0.250000 Pm\n0.144399 0.288798 0.250000 Ga\n0.711202 0.855601 0.250000 Ga\n0.144399 0.855601 0.250000 Ga\n0.855601 0.711202 0.750000 Ga\n0.288798 0.144399 0.750000 Ga\n0.855601 0.144399 0.750000 Ga\n",
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{
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"created_at": "2022-09-04T14:42:03.188016Z",
"structure_string": "Mg14 Al1 Co1\n1.0\n6.263221 -0.000000 -0.000000\n-3.131611 5.424108 0.000000\n-0.000000 -0.000000 9.841642\nMg Al Co\n14 1 1\ndirect\n0.168150 0.834075 0.125000 Mg\n0.162900 0.831449 0.625000 Mg\n0.665925 0.331850 0.125000 Mg\n0.668551 0.337100 0.625000 Mg\n0.665925 0.834075 0.125000 Mg\n0.668551 0.831449 0.625000 Mg\n0.325050 0.174950 0.385394 Mg\n0.325050 0.174950 0.864606 Mg\n0.325050 0.650101 0.385394 Mg\n0.325050 0.650101 0.864606 Mg\n0.849899 0.174950 0.385394 Mg\n0.849899 0.174950 0.864606 Mg\n0.833333 0.666667 0.372810 Mg\n0.833333 0.666667 0.877190 Mg\n0.166667 0.333333 0.125000 Al\n0.166667 0.333333 0.625000 Co\n",
"nsites": 16,
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{
"id": "mp-1210887",
"created_at": "2022-09-04T14:40:08.564636Z",
"structure_string": "Li4 Ga8\n1.0\n-4.889064 -4.889064 0.000000\n-4.889064 0.000000 -4.889064\n0.000000 -4.889064 -4.889064\nLi Ga\n4 8\ndirect\n0.875000 0.875000 0.875000 Li\n0.375000 0.875000 0.875000 Li\n0.875000 0.375000 0.875000 Li\n0.875000 0.875000 0.375000 Li\n0.600056 0.600056 0.600056 Ga\n0.199832 0.600056 0.600056 Ga\n0.600056 0.199832 0.600056 Ga\n0.550168 0.149944 0.149944 Ga\n0.149944 0.149944 0.149944 Ga\n0.600056 0.600056 0.199832 Ga\n0.149944 0.550168 0.149944 Ga\n0.149944 0.149944 0.550168 Ga\n",
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"formula_full": "Li4 Ga8",
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{
"id": "mp-754212",
"created_at": "2022-09-04T14:47:05.722111Z",
"structure_string": "Ba1 Sr2 I6\n1.0\n4.185505 -7.249507 0.000000\n4.185505 7.249507 0.000000\n0.000000 0.000000 7.640385\nBa Sr I\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.500000 Sr\n0.666667 0.333333 0.500000 Sr\n0.000000 0.654112 0.741848 I\n0.000000 0.345888 0.258152 I\n0.345888 0.345888 0.741848 I\n0.654112 0.654112 0.258152 I\n0.345888 0.000000 0.258152 I\n0.654112 0.000000 0.741848 I\n",
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"volume": 463.6620783162178,
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}
]
}