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{
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"results": [
{
"id": "mp-1147581",
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"structure_string": "Ba2 Cu1 S2 Cl2\n1.0\n-2.331468 2.331468 8.590620\n2.331468 -2.331468 8.590620\n2.331468 2.331468 -8.590620\nBa Cu S Cl\n2 1 2 2\ndirect\n0.626896 0.626896 0.000000 Ba\n0.373104 0.373104 0.000000 Ba\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 S\n0.500000 0.000000 0.500000 S\n0.185061 0.185061 0.000000 Cl\n0.814939 0.814939 0.000000 Cl\n",
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{
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},
{
"id": "mp-1007881",
"created_at": "2022-09-04T14:48:11.164328Z",
"structure_string": "Fe2 B2\n1.0\n1.445942 -3.753606 0.000000\n1.445942 3.753606 0.000000\n0.000000 0.000000 2.958077\nFe B\n2 2\ndirect\n0.858486 0.141514 0.750000 Fe\n0.141514 0.858486 0.250000 Fe\n0.569795 0.430205 0.750000 B\n0.430205 0.569795 0.250000 B\n",
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"formula_full": "Fe2 B2",
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"updated_at": "2021-11-28T01:38:32.018000Z",
"spacegroup": 63
},
{
"id": "mp-1226072",
"created_at": "2022-09-04T14:41:33.578791Z",
"structure_string": "Co4 H1\n1.0\n1.266642 -2.193888 0.000000\n1.266642 2.193888 0.000000\n0.000000 0.000000 8.153190\nCo H\n4 1\ndirect\n0.333333 0.666667 0.866042 Co\n0.333333 0.666667 0.377872 Co\n0.666667 0.333333 0.133958 Co\n0.666667 0.333333 0.622128 Co\n0.000000 0.000000 0.000000 H\n",
"nsites": 5,
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"elements": [
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"density": 8.675532989860216,
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"volume": 45.31332134572933,
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"formula_full": "Co4 H1",
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"updated_at": "2021-11-28T01:35:25.634000Z",
"spacegroup": 164
},
{
"id": "mp-861507",
"created_at": "2022-09-04T14:45:56.428034Z",
"structure_string": "Sc1 Al1 Ir2\n1.0\n0.000000 3.124304 3.124304\n3.124304 0.000000 3.124304\n3.124304 3.124304 0.000000\nSc Al Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Al\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
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"updated_at": "2021-11-28T01:37:08.461000Z",
"spacegroup": 225
},
{
"id": "mp-29537",
"created_at": "2022-09-04T14:41:03.536418Z",
"structure_string": "Cl8 O4\n1.0\n-3.965482 3.965482 4.889198\n3.965482 -3.965482 4.889198\n3.965482 3.965482 -4.889198\nCl O\n8 4\ndirect\n0.498341 0.317052 0.181289 Cl\n0.067052 0.385764 0.318711 Cl\n0.067052 0.748341 0.681289 Cl\n0.614236 0.932948 0.681289 Cl\n0.251659 0.932948 0.318711 Cl\n0.135764 0.317052 0.818711 Cl\n0.682948 0.501659 0.818711 Cl\n0.682948 0.864236 0.181289 Cl\n0.219455 0.219455 0.000000 O\n0.969455 0.469455 0.500000 O\n0.530545 0.030545 0.500000 O\n0.780545 0.780545 0.000000 O\n",
"nsites": 12,
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"elements": [
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"volume": 307.5314829975021,
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"formula_full": "Cl8 O4",
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"formula_anonymous": "AB2",
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"updated_at": "2021-11-28T01:34:59.285000Z",
"spacegroup": 141
},
{
"id": "mp-1026671",
"created_at": "2022-09-04T14:47:44.883505Z",
"structure_string": "Na1 Mg14 Nb1\n1.0\n6.382929 -0.076214 0.000000\n-3.257468 5.642099 0.000000\n0.000000 0.000000 10.131996\nNa Mg Nb\n1 14 1\ndirect\n0.168094 0.334047 0.125000 Na\n0.168883 0.334441 0.625000 Mg\n0.167329 0.833664 0.625000 Mg\n0.664145 0.335769 0.125000 Mg\n0.666645 0.334579 0.625000 Mg\n0.664145 0.828375 0.125000 Mg\n0.666645 0.832065 0.625000 Mg\n0.328423 0.154244 0.371113 Mg\n0.328423 0.154244 0.878887 Mg\n0.328423 0.674180 0.371113 Mg\n0.328423 0.674180 0.878887 Mg\n0.828567 0.164284 0.376692 Mg\n0.828567 0.164284 0.873308 Mg\n0.843334 0.671668 0.368519 Mg\n0.843334 0.671668 0.881481 Mg\n0.176620 0.838309 0.125000 Nb\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.0903581499148465,
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"volume": 362.3693441101394,
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"formula_full": "Na1 Mg14 Nb1",
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{
"id": "mp-1018793",
"created_at": "2022-09-04T14:44:43.249928Z",
"structure_string": "Lu2 Se4\n1.0\n4.026459 0.000000 0.000000\n0.000000 4.026459 0.000000\n0.000000 0.000000 8.190272\nLu Se\n2 4\ndirect\n0.000000 0.500000 0.725879 Lu\n0.500000 0.000000 0.274121 Lu\n0.000000 0.500000 0.371713 Se\n0.500000 0.000000 0.628287 Se\n0.000000 0.000000 0.000000 Se\n0.500000 0.500000 0.000000 Se\n",
"nsites": 6,
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"elements": [
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"density": 8.325897137392094,
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"volume": 132.7837370896028,
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"formula_full": "Lu2 Se4",
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"spacegroup": 129
},
{
"id": "mp-999047",
"created_at": "2022-09-04T14:45:17.440876Z",
"structure_string": "Ti2 Mn1 Si1\n1.0\n0.000000 3.013048 3.013048\n3.013048 0.000000 3.013048\n3.013048 3.013048 0.000000\nTi Mn Si\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Ti\n0.500000 0.500000 0.500000 Mn\n0.750000 0.750000 0.750000 Si\n",
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"formula_full": "Ti2 Mn1 Si1",
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},
{
"id": "mp-1028413",
"created_at": "2022-09-04T14:39:38.056555Z",
"structure_string": "Mg14 Ga1 Co1\n1.0\n6.238085 -0.021633 0.000000\n-3.137777 5.434789 0.000000\n0.000000 0.000000 9.925829\nMg Ga Co\n14 1 1\ndirect\n0.170310 0.335155 0.625000 Mg\n0.171899 0.835949 0.625000 Mg\n0.698184 0.347735 0.125000 Mg\n0.663177 0.329408 0.625000 Mg\n0.698184 0.850448 0.125000 Mg\n0.663177 0.833769 0.625000 Mg\n0.320850 0.167730 0.348700 Mg\n0.320850 0.167730 0.901300 Mg\n0.320850 0.653121 0.348700 Mg\n0.320850 0.653121 0.901300 Mg\n0.840589 0.170295 0.367583 Mg\n0.840589 0.170295 0.882417 Mg\n0.832220 0.666110 0.377057 Mg\n0.832220 0.666110 0.872943 Mg\n0.159103 0.829551 0.125000 Ga\n0.146945 0.323472 0.125000 Co\n",
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{
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"structure_string": "Mg14 Cu1 Ni1\n1.0\n6.259651 0.000000 0.000000\n-3.129825 5.421016 -0.000000\n0.000000 0.000000 9.632451\nMg Cu Ni\n14 1 1\ndirect\n0.165454 0.832727 0.125000 Mg\n0.165544 0.832772 0.625000 Mg\n0.667273 0.334546 0.125000 Mg\n0.667228 0.334456 0.625000 Mg\n0.667273 0.832727 0.125000 Mg\n0.667228 0.832772 0.625000 Mg\n0.324512 0.175488 0.376625 Mg\n0.324512 0.175488 0.873375 Mg\n0.324512 0.649025 0.376625 Mg\n0.324512 0.649025 0.873375 Mg\n0.850975 0.175488 0.376625 Mg\n0.850975 0.175488 0.873375 Mg\n0.833333 0.666667 0.373486 Mg\n0.833333 0.666667 0.876514 Mg\n0.166667 0.333333 0.125000 Cu\n0.166667 0.333333 0.625000 Ni\n",
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"formula_full": "Mg14 Cu1 Ni1",
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{
"id": "mp-866221",
"created_at": "2022-09-04T14:41:03.955808Z",
"structure_string": "Hf1 Sn1 Rh2\n1.0\n0.000000 3.254837 3.254837\n3.254837 0.000000 3.254837\n3.254837 3.254837 0.000000\nHf Sn Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
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}
]
}