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{
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"results": [
{
"id": "mp-1016218",
"created_at": "2022-09-04T14:44:21.444913Z",
"structure_string": "Ba1 Mg3\n1.0\n3.675674 0.000000 0.000000\n0.000000 5.260309 0.000000\n0.000000 0.000000 6.795431\nBa Mg\n1 3\ndirect\n0.000000 0.000000 0.159343 Ba\n0.500000 0.000000 0.659005 Mg\n0.500000 0.500000 0.405452 Mg\n0.000000 0.500000 0.776200 Mg\n",
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{
"id": "mp-1039028",
"created_at": "2022-09-04T14:41:11.169086Z",
"structure_string": "Ca1 Mg5\n1.0\n1.650216 -2.858258 0.000000\n1.650216 2.858258 0.000000\n0.000000 0.000000 16.459998\nCa Mg\n1 5\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.824062 Mg\n0.000000 0.000000 0.662758 Mg\n0.666667 0.333333 0.500000 Mg\n0.000000 0.000000 0.337242 Mg\n0.666667 0.333333 0.175938 Mg\n",
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"updated_at": "2021-11-28T01:35:12.317000Z",
"spacegroup": 187
},
{
"id": "mp-1022142",
"created_at": "2022-09-04T14:40:08.402575Z",
"structure_string": "Cs2 Mg12 Cu2\n1.0\n4.966722 0.000000 0.000000\n0.000000 6.206319 0.000000\n0.000000 0.000000 15.843441\nCs Mg Cu\n2 12 2\ndirect\n0.500000 0.500000 0.207138 Cs\n0.500000 0.000000 0.707138 Cs\n0.500000 0.241559 0.435120 Mg\n0.500000 0.758441 0.435120 Mg\n0.000000 0.757421 0.053275 Mg\n0.000000 0.242579 0.053275 Mg\n0.000000 0.000000 0.365830 Mg\n0.000000 0.500000 0.386551 Mg\n0.500000 0.741559 0.935120 Mg\n0.500000 0.258441 0.935120 Mg\n0.000000 0.257421 0.553275 Mg\n0.000000 0.742579 0.553275 Mg\n0.000000 0.500000 0.865830 Mg\n0.000000 0.000000 0.886551 Mg\n0.500000 0.000000 0.063688 Cu\n0.500000 0.500000 0.563688 Cu\n",
"nsites": 16,
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"elements": [
"Cs",
"Mg",
"Cu"
],
"chemical_system": "Cs-Cu-Mg",
"density": 2.327603499174951,
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"volume": 488.37503711777833,
"volume_molar": 18.381645107459285,
"formula_full": "Cs2 Mg12 Cu2",
"formula_reduced": "CsMg6Cu",
"formula_anonymous": "ABC6",
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"updated_at": "2021-11-28T01:34:47.020000Z",
"spacegroup": 38
},
{
"id": "mp-1096110",
"created_at": "2022-09-04T14:46:22.944671Z",
"structure_string": "Ba2 Zn1 Pd1\n1.0\n-6.024525 6.559923 9.278644\n6.024525 -6.559923 9.278644\n6.024525 6.559923 -9.278644\nBa Zn Pd\n2 1 1\ndirect\n0.000000 0.266552 0.266552 Ba\n0.000000 0.733448 0.733448 Ba\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.5054613686612356,
"density_atomic": 0.0027270552400625696,
"volume": 1466.7836357829788,
"volume_molar": 220.82943797874177,
"formula_full": "Ba2 Zn1 Pd1",
"formula_reduced": "Ba2ZnPd",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:30.327000Z",
"spacegroup": 71
},
{
"id": "mp-974760",
"created_at": "2022-09-04T14:40:59.508942Z",
"structure_string": "Rb3 Th1\n1.0\n0.000000 5.009826 5.009826\n5.009826 0.000000 5.009826\n5.009826 5.009826 0.000000\nRb Th\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Th\n",
"nsites": 4,
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"volume": 251.47679840568608,
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"formula_full": "Rb3 Th1",
"formula_reduced": "Rb3Th",
"formula_anonymous": "AB3",
"energy": -6.33874237,
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"updated_at": "2021-11-28T01:35:12.204000Z",
"spacegroup": 225
},
{
"id": "mp-1183399",
"created_at": "2022-09-04T14:40:00.909140Z",
"structure_string": "Ba1 Yb3\n1.0\n0.000000 4.467475 4.467475\n4.467475 0.000000 4.467475\n4.467476 4.467475 0.000000\nBa Yb\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Yb\n",
"nsites": 4,
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"elements": [
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"volume": 178.32672628539848,
"volume_molar": 26.84771617401654,
"formula_full": "Ba1 Yb3",
"formula_reduced": "BaYb3",
"formula_anonymous": "AB3",
"energy": -6.34586583,
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"updated_at": "2021-11-28T01:34:47.359000Z",
"spacegroup": 225
},
{
"id": "mp-1026699",
"created_at": "2022-09-04T14:45:54.078258Z",
"structure_string": "Cs1 Mg14 Si1\n1.0\n6.382727 0.000000 -0.000000\n-3.191363 5.527603 -0.000000\n0.000000 -0.000000 11.134769\nCs Mg Si\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Cs\n0.158229 0.829114 0.125000 Mg\n0.171575 0.835787 0.625000 Mg\n0.670886 0.341771 0.125000 Mg\n0.664213 0.328425 0.625000 Mg\n0.670886 0.829114 0.125000 Mg\n0.664213 0.835787 0.625000 Mg\n0.331750 0.168250 0.348982 Mg\n0.331750 0.168250 0.901018 Mg\n0.331750 0.663502 0.348982 Mg\n0.331750 0.663502 0.901018 Mg\n0.836498 0.168250 0.348982 Mg\n0.836498 0.168250 0.901018 Mg\n0.833333 0.666667 0.384867 Mg\n0.833333 0.666667 0.865133 Mg\n0.166667 0.333333 0.125000 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Si"
],
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"density": 2.118793574032829,
"density_atomic": 0.04072824136890411,
"volume": 392.84779951770645,
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"formula_full": "Cs1 Mg14 Si1",
"formula_reduced": "CsMg14Si",
"formula_anonymous": "ABC14",
"energy": -25.39102679,
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"updated_at": "2021-11-28T01:37:13.905000Z",
"spacegroup": 187
},
{
"id": "mp-973364",
"created_at": "2022-09-04T14:46:27.800739Z",
"structure_string": "Mg4\n1.0\n1.601858 -2.774500 0.000000\n1.601858 2.774500 0.000000\n0.000000 0.000000 10.321287\nMg\n4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.250000 Mg\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.750000 Mg\n",
"nsites": 4,
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"elements": [
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"density": 1.7596736078110835,
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"volume": 91.74292740326406,
"volume_molar": 13.812220563922939,
"formula_full": "Mg4",
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"formula_anonymous": "A",
"energy": -6.34780932,
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"total_magnetization": 8.4e-05,
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"updated_at": "2021-11-28T01:37:43.165000Z",
"spacegroup": 194
},
{
"id": "mp-1026818",
"created_at": "2022-09-04T14:46:54.048798Z",
"structure_string": "Sr1 Li1 Mg14\n1.0\n6.608895 0.000000 0.000000\n-3.304447 5.723470 -0.000000\n-0.000000 0.000000 10.370876\nSr Li Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Sr\n0.166667 0.333333 0.125000 Li\n0.167746 0.833873 0.125000 Mg\n0.174219 0.837109 0.625000 Mg\n0.666127 0.332254 0.125000 Mg\n0.662891 0.325781 0.625000 Mg\n0.666127 0.833873 0.125000 Mg\n0.662891 0.837109 0.625000 Mg\n0.336510 0.163490 0.364645 Mg\n0.336510 0.163490 0.885355 Mg\n0.336510 0.673021 0.364645 Mg\n0.336510 0.673021 0.885355 Mg\n0.826979 0.163490 0.364645 Mg\n0.826979 0.163490 0.885355 Mg\n0.833333 0.666667 0.379316 Mg\n0.833333 0.666667 0.870684 Mg\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Li-Mg-Sr",
"density": 1.8406274364258184,
"density_atomic": 0.040786484910983085,
"volume": 392.2868086063352,
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"formula_full": "Sr1 Li1 Mg14",
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"spacegroup": 187
},
{
"id": "mp-1026831",
"created_at": "2022-09-04T14:44:53.135033Z",
"structure_string": "Sr1 Li1 Mg14\n1.0\n6.598405 0.096666 0.000000\n-3.215487 5.569386 0.000000\n0.000000 0.000000 10.585321\nSr Li Mg\n1 1 14\ndirect\n0.159304 0.829652 0.125000 Sr\n0.171880 0.335940 0.125000 Li\n0.164313 0.332156 0.625000 Mg\n0.165796 0.832897 0.625000 Mg\n0.659399 0.335287 0.125000 Mg\n0.666835 0.331799 0.625000 Mg\n0.659399 0.824110 0.125000 Mg\n0.666835 0.835035 0.625000 Mg\n0.339756 0.175127 0.386877 Mg\n0.339756 0.175127 0.863123 Mg\n0.339756 0.664630 0.386877 Mg\n0.339756 0.664630 0.863123 Mg\n0.836692 0.168346 0.369521 Mg\n0.836692 0.168346 0.880479 Mg\n0.826916 0.663458 0.386529 Mg\n0.826916 0.663458 0.863471 Mg\n",
"nsites": 16,
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],
"chemical_system": "Li-Mg-Sr",
"density": 1.8406084253798003,
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"volume": 392.2908604092434,
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"formula_full": "Sr1 Li1 Mg14",
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"updated_at": "2021-11-28T01:36:47.073000Z",
"spacegroup": 38
},
{
"id": "mp-1026859",
"created_at": "2022-09-04T14:41:56.310109Z",
"structure_string": "K1 Mg14 Ga1\n1.0\n6.460507 -0.027373 0.000000\n-3.253960 5.636023 0.000000\n0.000000 0.000000 10.552999\nK Mg Ga\n1 14 1\ndirect\n0.164577 0.332288 0.125000 K\n0.168397 0.334198 0.625000 Mg\n0.165881 0.832940 0.625000 Mg\n0.660903 0.323646 0.125000 Mg\n0.666681 0.335489 0.625000 Mg\n0.660903 0.837255 0.125000 Mg\n0.666681 0.831191 0.625000 Mg\n0.333982 0.158284 0.382995 Mg\n0.333982 0.158284 0.867005 Mg\n0.333982 0.675699 0.382995 Mg\n0.333982 0.675699 0.867005 Mg\n0.823285 0.161643 0.388120 Mg\n0.823285 0.161643 0.861880 Mg\n0.836348 0.668175 0.366258 Mg\n0.836348 0.668175 0.883742 Mg\n0.190782 0.845391 0.125000 Ga\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Ga"
],
"chemical_system": "Ga-K-Mg",
"density": 1.9455041649285576,
"density_atomic": 0.041741534282814616,
"volume": 383.31125759762386,
"volume_molar": 14.42721467590944,
"formula_full": "K1 Mg14 Ga1",
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"energy": -25.4048606,
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"updated_at": "2021-11-28T01:35:37.777000Z",
"spacegroup": 38
},
{
"id": "mp-1096456",
"created_at": "2022-09-04T14:39:42.187991Z",
"structure_string": "Sc1 Zn2 Cu1\n1.0\n-4.980760 5.254752 6.981702\n4.980760 -5.254752 6.981702\n4.980760 5.254752 -6.981702\nSc Zn Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.729664 0.000000 0.729664 Zn\n0.270336 0.000000 0.270336 Zn\n0.500000 0.000000 0.500000 Cu\n",
"nsites": 4,
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"density": 0.5436993239634229,
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"volume": 730.9188107763933,
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"formula_full": "Sc1 Zn2 Cu1",
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"updated_at": "2021-11-28T01:34:26.087000Z",
"spacegroup": 71
}
]
}