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{
"id": "mp-1187107",
"created_at": "2022-09-04T14:42:17.311727Z",
"structure_string": "Sr3 Ca1\n1.0\n0.000000 4.627973 4.627973\n4.627973 0.000000 4.627973\n4.627973 4.627973 0.000000\nSr Ca\n3 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n",
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{
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{
"id": "mp-1187854",
"created_at": "2022-09-04T14:42:26.508057Z",
"structure_string": "Yb1 Gd1 Zn2\n1.0\n3.492069 3.442844 0.000000\n-3.492069 3.442844 0.000000\n0.000000 3.393054 3.577371\nYb Gd Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.500000 Gd\n0.749951 0.250049 0.000000 Zn\n0.250049 0.749951 0.000000 Zn\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Gd-Yb-Zn",
"density": 8.90138562256508,
"density_atomic": 0.046501381191956785,
"volume": 86.01895035091708,
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"formula_full": "Yb1 Gd1 Zn2",
"formula_reduced": "YbGdZn2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:45.155000Z",
"spacegroup": 225
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{
"id": "mp-1094171",
"created_at": "2022-09-04T14:42:17.108061Z",
"structure_string": "La3 Mg1\n1.0\n-2.520611 2.520611 5.255662\n2.520611 -2.520611 5.255662\n2.520611 2.520611 -5.255662\nLa Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 La\n0.250000 0.750000 0.500000 La\n0.750000 0.250000 0.500000 La\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "La-Mg",
"density": 5.4828920818423885,
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"volume": 133.5669696905531,
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"formula_full": "La3 Mg1",
"formula_reduced": "La3Mg",
"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:35:44.324000Z",
"spacegroup": 139
},
{
"id": "mp-2375",
"created_at": "2022-09-04T14:42:22.881690Z",
"structure_string": "Np1 Pd3\n1.0\n4.138852 0.000000 0.000000\n0.000000 4.138852 0.000000\n0.000000 0.000000 4.138852\nNp Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Np\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Np-Pd",
"density": 13.028284637641057,
"density_atomic": 0.056418339608336754,
"volume": 70.89893158445473,
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"formula_full": "Np1 Pd3",
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"updated_at": "2021-11-28T01:35:47.211000Z",
"spacegroup": 221
},
{
"id": "mp-999557",
"created_at": "2022-09-04T14:42:17.325947Z",
"structure_string": "Mn2 Sn1 Ru1\n1.0\n0.000000 3.140670 3.140670\n3.140670 0.000000 3.140670\n3.140670 3.140670 0.000000\nMn Sn Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Sn\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 4,
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"elements": [
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"Sn",
"Ru"
],
"chemical_system": "Mn-Ru-Sn",
"density": 8.835136969176613,
"density_atomic": 0.0645599339367865,
"volume": 61.957932049877535,
"volume_molar": 9.327984700071946,
"formula_full": "Mn2 Sn1 Ru1",
"formula_reduced": "Mn2SnRu",
"formula_anonymous": "ABC2",
"energy": -31.29152974,
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"updated_at": "2021-11-28T01:35:48.259000Z",
"spacegroup": 216
},
{
"id": "mp-862765",
"created_at": "2022-09-04T14:42:26.518451Z",
"structure_string": "Li1 Gd2 Ir1\n1.0\n0.010143 3.505852 3.513266\n3.509058 0.007231 3.516172\n3.509746 3.509453 0.006530\nLi Gd Ir\n1 2 1\ndirect\n0.750031 0.750016 0.749952 Li\n0.999711 0.000075 0.999856 Gd\n0.500262 0.500079 0.500033 Gd\n0.249996 0.249830 0.250159 Ir\n",
"nsites": 4,
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"elements": [
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"Gd",
"Ir"
],
"chemical_system": "Gd-Ir-Li",
"density": 9.89086723823798,
"density_atomic": 0.046384321683085386,
"volume": 86.23603525625447,
"volume_molar": 12.983138572437177,
"formula_full": "Li1 Gd2 Ir1",
"formula_reduced": "LiGd2Ir",
"formula_anonymous": "ABC2",
"energy": -40.98498217,
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"updated_at": "2021-11-28T01:35:47.788000Z",
"spacegroup": 225
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{
"id": "mp-977379",
"created_at": "2022-09-04T14:42:20.100477Z",
"structure_string": "Ho2 Ni1 Ir1\n1.0\n0.000000 3.392631 3.392631\n3.392631 0.000000 3.392631\n3.392631 3.392631 0.000000\nHo Ni Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ho\n0.750000 0.750000 0.750000 Ho\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
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],
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"density": 12.34849913673741,
"density_atomic": 0.05121770534692633,
"volume": 78.09799312377916,
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"formula_full": "Ho2 Ni1 Ir1",
"formula_reduced": "Ho2NiIr",
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"updated_at": "2021-11-28T01:35:45.550000Z",
"spacegroup": 225
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{
"id": "mp-1186412",
"created_at": "2022-09-04T14:42:15.267238Z",
"structure_string": "Pa1 Tc2 Ge1\n1.0\n0.000000 3.267442 3.267442\n3.267442 0.000000 3.267442\n3.267442 3.267442 0.000000\nPa Tc Ge\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Pa\n0.000000 0.000000 0.000000 Tc\n0.499999 0.499999 0.499999 Tc\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 4,
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"elements": [
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"density": 11.892792078068416,
"density_atomic": 0.057333220045195116,
"volume": 69.76757971812583,
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"formula_full": "Pa1 Tc2 Ge1",
"formula_reduced": "PaTc2Ge",
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"energy": -35.89422136,
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"updated_at": "2021-11-28T01:35:42.051000Z",
"spacegroup": 225
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{
"id": "mp-972327",
"created_at": "2022-09-04T14:42:23.353941Z",
"structure_string": "Zr2 Co1 Os1\n1.0\n0.000585 3.259502 3.259500\n3.260074 0.000002 3.260083\n3.260075 3.260085 0.000001\nZr Co Os\n2 1 1\ndirect\n0.000060 0.999980 0.999980 Zr\n0.499940 0.500020 0.500020 Zr\n0.250000 0.250000 0.250000 Co\n0.750001 0.750000 0.750000 Os\n",
"nsites": 4,
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"elements": [
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"density": 10.345310813528318,
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"volume": 69.27846478446925,
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"formula_full": "Zr2 Co1 Os1",
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{
"id": "mp-1184397",
"created_at": "2022-09-04T14:42:15.155586Z",
"structure_string": "Eu3 Tc1\n1.0\n-2.469120 2.469120 4.691788\n2.469120 -2.469120 4.691788\n2.469120 2.469120 -4.691788\nEu Tc\n3 1\ndirect\n0.750002 0.250001 0.500001 Eu\n0.250001 0.750002 0.500001 Eu\n0.499999 0.499999 0.000000 Eu\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 4,
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"updated_at": "2021-11-28T01:35:41.802000Z",
"spacegroup": 139
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{
"id": "mp-1095981",
"created_at": "2022-09-04T14:42:22.932092Z",
"structure_string": "Na1 Mg1 Cd2\n1.0\n-6.170359 6.331766 8.953741\n6.170359 -6.331766 8.953741\n6.170359 6.331766 -8.953741\nNa Mg Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Mg\n0.000000 0.250342 0.250342 Cd\n0.000000 0.749658 0.749658 Cd\n",
"nsites": 4,
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"updated_at": "2021-11-28T01:35:49.610000Z",
"spacegroup": 71
}
]
}