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{
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"results": [
{
"id": "mp-1026793",
"created_at": "2022-09-04T14:40:27.277868Z",
"structure_string": "Li1 Mg14 Cr1\n1.0\n6.356621 -0.017908 0.000000\n-3.193819 5.531857 0.000000\n0.000000 0.000000 10.099106\nLi Mg Cr\n1 14 1\ndirect\n0.168007 0.334003 0.125000 Li\n0.168045 0.334022 0.625000 Mg\n0.167573 0.833786 0.625000 Mg\n0.666518 0.334104 0.125000 Mg\n0.666191 0.333340 0.625000 Mg\n0.666518 0.832413 0.125000 Mg\n0.666191 0.832850 0.625000 Mg\n0.328996 0.162114 0.369277 Mg\n0.328996 0.162114 0.880723 Mg\n0.328996 0.666883 0.369277 Mg\n0.328996 0.666883 0.880723 Mg\n0.834866 0.167434 0.375092 Mg\n0.834866 0.167434 0.874908 Mg\n0.839097 0.669549 0.370688 Mg\n0.839097 0.669549 0.879312 Mg\n0.167045 0.833522 0.125000 Cr\n",
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{
"id": "mp-1186264",
"created_at": "2022-09-04T14:40:30.203178Z",
"structure_string": "Nd6 Br2\n1.0\n3.584876 -6.209187 0.000000\n3.584876 6.209187 0.000000\n0.000000 0.000000 5.601452\nNd Br\n6 2\ndirect\n0.169453 0.338905 0.250000 Nd\n0.661095 0.830547 0.250000 Nd\n0.169453 0.830547 0.250000 Nd\n0.830547 0.661095 0.750000 Nd\n0.338905 0.169453 0.750000 Nd\n0.830547 0.169453 0.750000 Nd\n0.333333 0.666667 0.750000 Br\n0.666667 0.333333 0.250000 Br\n",
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"elements": [
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"formula_full": "Nd6 Br2",
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"updated_at": "2021-11-28T01:35:06.476000Z",
"spacegroup": 194
},
{
"id": "mp-1028343",
"created_at": "2022-09-04T14:48:20.536172Z",
"structure_string": "Mg14 Ni1 C1\n1.0\n6.249959 -0.000000 -0.000000\n-3.124979 5.412623 0.000000\n0.000000 -0.000000 9.470034\nMg Ni C\n14 1 1\ndirect\n0.168233 0.834116 0.125000 Mg\n0.165089 0.832544 0.625000 Mg\n0.665884 0.331767 0.125000 Mg\n0.667456 0.334911 0.625000 Mg\n0.665884 0.834116 0.125000 Mg\n0.667456 0.832544 0.625000 Mg\n0.322965 0.177035 0.376856 Mg\n0.322965 0.177035 0.873144 Mg\n0.322965 0.645931 0.376856 Mg\n0.322965 0.645931 0.873144 Mg\n0.854069 0.177035 0.376856 Mg\n0.854069 0.177035 0.873144 Mg\n0.833333 0.666667 0.372204 Mg\n0.833333 0.666667 0.877796 Mg\n0.166667 0.333333 0.125000 Ni\n0.166667 0.333333 0.625000 C\n",
"nsites": 16,
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"elements": [
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"Ni",
"C"
],
"chemical_system": "C-Mg-Ni",
"density": 2.1302327895109636,
"density_atomic": 0.04994402017815041,
"volume": 320.35867242821007,
"volume_molar": 12.057781369058825,
"formula_full": "Mg14 Ni1 C1",
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"updated_at": "2021-11-28T01:39:01.857000Z",
"spacegroup": 187
},
{
"id": "mp-1112935",
"created_at": "2022-09-04T14:42:53.865707Z",
"structure_string": "Cs2 Ta1 Ag1 I6\n1.0\n0.000000 5.923889 5.923889\n5.923889 0.000000 5.923889\n5.923889 5.923889 0.000000\nCs Ta Ag I\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ag\n0.258619 0.258619 0.741381 I\n0.258619 0.741381 0.741381 I\n0.741381 0.741381 0.258619 I\n0.258619 0.741381 0.258619 I\n0.741381 0.258619 0.741381 I\n0.741381 0.258619 0.258619 I\n",
"nsites": 10,
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"elements": [
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"density": 5.256201548077654,
"density_atomic": 0.0240518932470657,
"volume": 415.7676860311189,
"volume_molar": 25.038115287388834,
"formula_full": "Cs2 Ta1 Ag1 I6",
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"formula_anonymous": "ABC2D6",
"energy": -35.10091864,
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"updated_at": "2021-11-28T01:35:58.068000Z",
"spacegroup": 225
},
{
"id": "mp-1021272",
"created_at": "2022-09-04T14:43:15.333462Z",
"structure_string": "Li2 Mg12 Sb2\n1.0\n5.211705 0.000000 0.000000\n0.000000 6.230371 0.000000\n0.000000 0.000000 11.126655\nLi Mg Sb\n2 12 2\ndirect\n0.000000 0.000000 0.166864 Li\n0.000000 0.500000 0.666864 Li\n0.000000 0.249091 0.416409 Mg\n0.000000 0.750909 0.416409 Mg\n0.500000 0.754649 0.082838 Mg\n0.500000 0.245351 0.082838 Mg\n0.500000 0.000000 0.332675 Mg\n0.500000 0.500000 0.335581 Mg\n0.000000 0.749091 0.916409 Mg\n0.000000 0.250909 0.916409 Mg\n0.500000 0.254649 0.582838 Mg\n0.500000 0.745351 0.582838 Mg\n0.500000 0.500000 0.832675 Mg\n0.500000 0.000000 0.835581 Mg\n0.000000 0.500000 0.166381 Sb\n0.000000 0.000000 0.666381 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Sb"
],
"chemical_system": "Li-Mg-Sb",
"density": 2.523551251238844,
"density_atomic": 0.04428550759014105,
"volume": 361.29200884584554,
"volume_molar": 13.598445829580294,
"formula_full": "Li2 Mg12 Sb2",
"formula_reduced": "LiMg6Sb",
"formula_anonymous": "ABC6",
"energy": -33.21056959,
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"updated_at": "2021-11-28T01:36:13.328000Z",
"spacegroup": 38
},
{
"id": "mp-1219804",
"created_at": "2022-09-04T14:39:21.730217Z",
"structure_string": "Pr1 Mn1 Co1 Ge2\n1.0\n-2.039095 2.039095 5.287092\n2.039095 -2.039095 5.287092\n2.039095 2.039095 -5.287092\nPr Mn Co Ge\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Co\n0.625286 0.625286 0.000000 Ge\n0.374714 0.374714 0.000000 Ge\n",
"nsites": 5,
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"elements": [
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"Mn",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-Mn-Pr",
"density": 7.554769959594917,
"density_atomic": 0.056861488719601394,
"volume": 87.93297735583893,
"volume_molar": 10.590895341655095,
"formula_full": "Pr1 Mn1 Co1 Ge2",
"formula_reduced": "PrMnCoGe2",
"formula_anonymous": "ABCD2",
"energy": -32.82519694,
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"updated_at": "2021-11-28T01:34:42.508000Z",
"spacegroup": 119
},
{
"id": "mp-1026465",
"created_at": "2022-09-04T14:47:38.589157Z",
"structure_string": "Mg14 Sb1 C1\n1.0\n3.609761 -5.350437 0.000000\n3.609761 5.350437 0.000000\n0.000000 0.000000 9.350452\nMg Sb C\n14 1 1\ndirect\n0.846343 0.153657 0.000000 Mg\n0.349000 0.651000 0.000000 Mg\n0.362407 0.103192 0.500000 Mg\n0.360190 0.180271 0.000000 Mg\n0.896808 0.637593 0.500000 Mg\n0.819729 0.639810 0.000000 Mg\n0.123617 0.311100 0.280500 Mg\n0.123617 0.311100 0.719500 Mg\n0.688900 0.876383 0.280500 Mg\n0.688900 0.876383 0.719500 Mg\n0.662770 0.337230 0.270299 Mg\n0.662770 0.337230 0.729701 Mg\n0.160356 0.839644 0.236050 Mg\n0.160356 0.839644 0.763950 Mg\n0.368479 0.631521 0.500000 Sb\n0.725757 0.274243 0.500000 C\n",
"nsites": 16,
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"elements": [
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"C"
],
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"density": 2.1793873422446235,
"density_atomic": 0.044298567106478386,
"volume": 361.18549752504526,
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"formula_full": "Mg14 Sb1 C1",
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"spacegroup": 38
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{
"id": "mp-1078089",
"created_at": "2022-09-04T14:47:09.083557Z",
"structure_string": "Pd3 Pb2 Se2\n1.0\n5.237701 -3.037574 0.000000\n5.237701 3.037574 0.000000\n3.476077 0.000000 4.957545\nPd Pb Se\n3 2 2\ndirect\n0.500000 0.500000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 Pb\n0.785024 0.785024 0.785024 Se\n0.214976 0.214976 0.214976 Se\n",
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],
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"volume": 157.74813379305718,
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"formula_full": "Pd3 Pb2 Se2",
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{
"id": "mp-1103818",
"created_at": "2022-09-04T14:42:45.433493Z",
"structure_string": "Nd3 Zn11\n1.0\n4.458429 0.000000 0.000000\n2.229214 4.535696 6.566836\n2.229214 -4.535696 6.566836\nNd Zn\n3 11\ndirect\n0.698612 0.301388 0.301388 Nd\n0.301388 0.698612 0.698612 Nd\n0.000000 0.000000 0.000000 Nd\n0.662027 0.700405 0.975542 Zn\n0.337973 0.299595 0.024458 Zn\n0.662027 0.975542 0.700405 Zn\n0.337973 0.024458 0.299595 Zn\n0.500000 0.698409 0.301591 Zn\n0.500000 0.301591 0.698409 Zn\n0.862019 0.415896 0.860066 Zn\n0.137981 0.584104 0.139934 Zn\n0.862019 0.860066 0.415896 Zn\n0.137981 0.139934 0.584104 Zn\n0.000000 0.500000 0.500000 Zn\n",
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"formula_full": "Nd3 Zn11",
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{
"id": "mp-1078646",
"created_at": "2022-09-04T14:43:58.747421Z",
"structure_string": "K2 Cu1 Cl4 O2\n1.0\n-3.811069 3.811069 3.959144\n3.811069 -3.811069 3.959144\n3.811069 3.811069 -3.959144\nK Cu Cl O\n2 1 4 2\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.000000 0.000000 0.000000 Cu\n0.211428 0.788572 0.000000 Cl\n0.788572 0.211428 0.000000 Cl\n0.211428 0.211428 0.422856 Cl\n0.788572 0.788572 0.577143 Cl\n0.577617 0.577617 0.000000 O\n0.422383 0.422383 0.000000 O\n",
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"formula_full": "K2 Cu1 Cl4 O2",
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{
"id": "mp-1206920",
"created_at": "2022-09-04T14:39:21.803526Z",
"structure_string": "K1 P2 Ir2\n1.0\n-1.982061 1.982061 6.579522\n1.982061 -1.982061 6.579522\n1.982061 1.982061 -6.579522\nK P Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 K\n0.348165 0.348165 0.000000 P\n0.651835 0.651835 0.000000 P\n0.750000 0.250000 0.500000 Ir\n0.250000 0.750000 0.500000 Ir\n",
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{
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]
}