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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=10131",
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"results": [
{
"id": "mp-1026440",
"created_at": "2022-09-04T14:39:27.964162Z",
"structure_string": "Hf1 Mg14 Cd1\n1.0\n6.396183 0.000000 0.000000\n-3.198091 5.539256 0.000000\n-0.000000 0.000000 10.156946\nHf Mg Cd\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Hf\n0.165048 0.832523 0.125000 Mg\n0.171428 0.835713 0.625000 Mg\n0.667477 0.334952 0.125000 Mg\n0.664287 0.328572 0.625000 Mg\n0.667477 0.832523 0.125000 Mg\n0.664287 0.835713 0.625000 Mg\n0.330596 0.169404 0.375470 Mg\n0.330596 0.169404 0.874530 Mg\n0.330596 0.661194 0.375470 Mg\n0.330596 0.661194 0.874530 Mg\n0.838806 0.169404 0.375470 Mg\n0.838806 0.169404 0.874530 Mg\n0.833333 0.666667 0.376996 Mg\n0.833333 0.666667 0.873004 Mg\n0.166667 0.333333 0.125000 Cd\n",
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{
"id": "mp-997101",
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"formula_full": "Ag2 O4 F2",
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"updated_at": "2021-11-28T01:38:46.185000Z",
"spacegroup": 12
},
{
"id": "mp-7785",
"created_at": "2022-09-04T14:44:56.604112Z",
"structure_string": "Cs1 Cu4 S3\n1.0\n3.969382 0.000000 0.000000\n0.000000 3.969382 0.000000\n0.000000 0.000000 9.689387\nCs Cu S\n1 4 3\ndirect\n0.000000 0.000000 0.500000 Cs\n0.500000 0.000000 0.149303 Cu\n0.500000 0.000000 0.850697 Cu\n0.000000 0.500000 0.850697 Cu\n0.000000 0.500000 0.149303 Cu\n0.500000 0.500000 0.728953 S\n0.500000 0.500000 0.271047 S\n0.000000 0.000000 0.000000 S\n",
"nsites": 8,
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"elements": [
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"formula_full": "Cs1 Cu4 S3",
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"updated_at": "2021-11-28T01:36:48.845000Z",
"spacegroup": 123
},
{
"id": "mp-1026468",
"created_at": "2022-09-04T14:48:31.665906Z",
"structure_string": "Mg14 Cd1 Mo1\n1.0\n6.304282 0.000000 0.000000\n-3.152141 5.459668 0.000000\n-0.000000 -0.000000 9.962351\nMg Cd Mo\n14 1 1\ndirect\n0.167634 0.833816 0.125000 Mg\n0.166941 0.833470 0.625000 Mg\n0.666184 0.332366 0.125000 Mg\n0.666530 0.333059 0.625000 Mg\n0.666184 0.833816 0.125000 Mg\n0.666530 0.833470 0.625000 Mg\n0.326882 0.173118 0.367863 Mg\n0.326882 0.173118 0.882137 Mg\n0.326882 0.653766 0.367863 Mg\n0.326882 0.653766 0.882137 Mg\n0.846234 0.173118 0.367863 Mg\n0.846234 0.173118 0.882137 Mg\n0.833333 0.666667 0.374086 Mg\n0.833333 0.666667 0.875914 Mg\n0.166667 0.333333 0.625000 Cd\n0.166667 0.333333 0.125000 Mo\n",
"nsites": 16,
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"density": 2.656793622334216,
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"volume": 342.89701525885283,
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"formula_full": "Mg14 Cd1 Mo1",
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"updated_at": "2021-11-28T01:39:55.528000Z",
"spacegroup": 187
},
{
"id": "mp-15608",
"created_at": "2022-09-04T14:47:42.185958Z",
"structure_string": "Ba1 Mn2 As2\n1.0\n4.121834 0.000282 0.000113\n0.000282 4.121824 0.000108\n2.061240 2.061226 6.671780\nBa Mn As\n1 2 2\ndirect\n0.999998 0.999998 0.000001 Ba\n0.250076 0.749973 0.499985 Mn\n0.749930 0.250033 0.500011 Mn\n0.642030 0.642029 0.715764 As\n0.357966 0.357967 0.284239 As\n",
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"As"
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"volume": 113.34815685081472,
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"formula_full": "Ba1 Mn2 As2",
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"updated_at": "2021-11-28T01:38:12.627000Z",
"spacegroup": 139
},
{
"id": "mp-1227656",
"created_at": "2022-09-04T14:43:37.815655Z",
"structure_string": "Bi3 Te5 Pb1\n1.0\n2.313373 -4.006879 0.000000\n2.313373 4.006879 0.000000\n0.000000 0.000000 17.137164\nBi Te Pb\n3 5 1\ndirect\n0.666667 0.333333 0.000250 Bi\n0.000000 0.000000 0.774329 Bi\n0.333333 0.666667 0.222116 Bi\n0.000000 0.000000 0.107714 Te\n0.333333 0.666667 0.900071 Te\n0.333333 0.666667 0.543868 Te\n0.666667 0.333333 0.315864 Te\n0.666667 0.333333 0.683902 Te\n0.000000 0.000000 0.451887 Pb\n",
"nsites": 9,
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"elements": [
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"Te",
"Pb"
],
"chemical_system": "Bi-Pb-Te",
"density": 7.694452551223604,
"density_atomic": 0.028328375508789836,
"volume": 317.70265108239073,
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"formula_full": "Bi3 Te5 Pb1",
"formula_reduced": "Bi3Te5Pb",
"formula_anonymous": "AB3C5",
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"updated_at": "2021-11-28T01:36:13.741000Z",
"spacegroup": 156
},
{
"id": "mp-864626",
"created_at": "2022-09-04T14:46:03.464529Z",
"structure_string": "Ho1 Th1 Tc2\n1.0\n0.000000 3.468767 3.468767\n3.468767 0.000000 3.468767\n3.468767 3.468767 0.000000\nHo Th Tc\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 Th\n0.750000 0.750000 0.750000 Tc\n0.250000 0.250000 0.250000 Tc\n",
"nsites": 4,
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"density": 11.795741603610116,
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"formula_full": "Ho1 Th1 Tc2",
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"updated_at": "2021-11-28T01:37:18.369000Z",
"spacegroup": 225
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{
"id": "mp-20950",
"created_at": "2022-09-04T14:48:14.677540Z",
"structure_string": "Nd1 Si2 Pt2\n1.0\n-2.125776 2.125776 4.993281\n2.125776 -2.125776 4.993281\n2.125776 2.125776 -4.993281\nNd Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.620112 0.620112 0.000000 Si\n0.379888 0.379888 0.000000 Si\n0.750000 0.250000 0.500000 Pt\n0.250000 0.750000 0.500000 Pt\n",
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"density": 10.865446329897726,
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"volume": 90.25702145278791,
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{
"id": "mp-22752",
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"structure_string": "Fe2 Sn4\n1.0\n-3.304946 3.304946 2.665243\n3.304946 -3.304946 2.665243\n3.304946 3.304946 -2.665243\nFe Sn\n2 4\ndirect\n0.250000 0.250000 0.000000 Fe\n0.750000 0.750000 0.000000 Fe\n0.161414 0.661414 0.822828 Sn\n0.838586 0.338586 0.177172 Sn\n0.338586 0.161414 0.500000 Sn\n0.661414 0.838586 0.500000 Sn\n",
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{
"id": "mp-1028213",
"created_at": "2022-09-04T14:47:45.368458Z",
"structure_string": "Y1 Mg14 Al1\n1.0\n6.459542 0.068183 0.000000\n-3.170723 5.491852 0.000000\n0.000000 0.000000 10.358470\nY Mg Al\n1 14 1\ndirect\n0.160689 0.830344 0.125000 Y\n0.164447 0.332223 0.625000 Mg\n0.166438 0.833218 0.625000 Mg\n0.660549 0.335238 0.125000 Mg\n0.666457 0.331648 0.625000 Mg\n0.660549 0.825309 0.125000 Mg\n0.666457 0.834808 0.625000 Mg\n0.334344 0.169853 0.376921 Mg\n0.334344 0.169853 0.873079 Mg\n0.334344 0.664493 0.376921 Mg\n0.334344 0.664493 0.873079 Mg\n0.837208 0.168604 0.367920 Mg\n0.837208 0.168604 0.882080 Mg\n0.831382 0.665692 0.380494 Mg\n0.831382 0.665692 0.869506 Mg\n0.179858 0.339929 0.125000 Al\n",
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{
"id": "mp-1217541",
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{
"id": "mp-1078456",
"created_at": "2022-09-04T14:40:00.216434Z",
"structure_string": "K4 Se4 N2\n1.0\n3.122636 5.590333 0.000000\n-3.122636 5.590333 0.000000\n0.000000 2.483039 8.667436\nK Se N\n4 4 2\ndirect\n0.486025 0.802080 0.859000 K\n0.197920 0.513975 0.641000 K\n0.513975 0.197920 0.141000 K\n0.802080 0.486025 0.359000 K\n0.002684 0.686059 0.000195 Se\n0.313941 0.997316 0.499805 Se\n0.997316 0.313941 0.999805 Se\n0.686059 0.002684 0.500195 Se\n0.683554 0.316446 0.750000 N\n0.316446 0.683554 0.250000 N\n",
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"formula_full": "K4 Se4 N2",
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]
}