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{
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"results": [
{
"id": "mp-7105",
"created_at": "2022-09-04T14:46:55.217107Z",
"structure_string": "Nd2 Si4\n1.0\n0.000000 3.865149 3.865149\n3.865149 0.000000 3.865149\n3.865149 3.865149 0.000000\nNd Si\n2 4\ndirect\n0.000000 0.000000 0.000000 Nd\n0.250000 0.250000 0.250000 Nd\n0.625000 0.625000 0.625000 Si\n0.125000 0.625000 0.625000 Si\n0.625000 0.125000 0.625000 Si\n0.625000 0.625000 0.125000 Si\n",
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{
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"created_at": "2022-09-04T14:40:07.098263Z",
"structure_string": "Al4 C1 O1\n1.0\n2.629853 0.187341 -1.278837\n-1.391431 6.012877 5.054116\n-0.564838 0.931767 5.791276\nAl C O\n4 1 1\ndirect\n0.246043 0.602189 0.613777 Al\n0.634602 0.085107 0.998255 Al\n0.313182 0.575015 0.197094 Al\n0.596114 0.026187 0.526255 Al\n0.964281 0.779379 0.648987 C\n0.258633 0.220449 0.492566 O\n",
"nsites": 6,
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"elements": [
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"formula_full": "Al4 C1 O1",
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"spacegroup": 6
},
{
"id": "mp-758741",
"created_at": "2022-09-04T14:44:23.416356Z",
"structure_string": "Li1 Fe2 P2\n1.0\n-1.881089 1.881089 4.522667\n1.881089 -1.881089 4.522667\n1.881089 1.881089 -4.522667\nLi Fe P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.750000 0.500000 Fe\n0.750000 0.250000 0.500000 Fe\n0.626553 0.626553 0.000000 P\n0.373447 0.373447 0.000000 P\n",
"nsites": 5,
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"elements": [
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"density": 4.684269843160605,
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"volume": 64.01375320612262,
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"formula_full": "Li1 Fe2 P2",
"formula_reduced": "Li(FeP)2",
"formula_anonymous": "AB2C2",
"energy": -32.69995616,
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"updated_at": "2021-11-28T01:36:37.566000Z",
"spacegroup": 139
},
{
"id": "mp-1183620",
"created_at": "2022-09-04T14:39:12.572708Z",
"structure_string": "Ca1 Eu3\n1.0\n-2.763637 2.763637 5.720790\n2.763637 -2.763637 5.720790\n2.763637 2.763637 -5.720790\nCa Eu\n1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.250000 0.500000 Eu\n0.250000 0.750000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n",
"nsites": 4,
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"elements": [
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"density": 4.712230340564822,
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"volume": 174.77447012127288,
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"formula_full": "Ca1 Eu3",
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"updated_at": "2021-11-28T01:34:43.935000Z",
"spacegroup": 139
},
{
"id": "mp-1028121",
"created_at": "2022-09-04T14:41:53.478922Z",
"structure_string": "Ca1 Mg14 Cr1\n1.0\n6.463736 0.016080 0.000000\n-3.217942 5.573639 0.000000\n0.000000 0.000000 10.417661\nCa Mg Cr\n1 14 1\ndirect\n0.164770 0.332385 0.125000 Ca\n0.167234 0.333616 0.625000 Mg\n0.165982 0.832991 0.625000 Mg\n0.661135 0.325330 0.125000 Mg\n0.666356 0.334241 0.625000 Mg\n0.661135 0.835804 0.125000 Mg\n0.666356 0.832114 0.625000 Mg\n0.334375 0.160476 0.377873 Mg\n0.334375 0.160476 0.872127 Mg\n0.334375 0.673900 0.377873 Mg\n0.334375 0.673900 0.872127 Mg\n0.829976 0.164988 0.383891 Mg\n0.829976 0.164988 0.866109 Mg\n0.839370 0.669686 0.366499 Mg\n0.839370 0.669686 0.883501 Mg\n0.170838 0.835419 0.125000 Cr\n",
"nsites": 16,
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"elements": [
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"Cr"
],
"chemical_system": "Ca-Cr-Mg",
"density": 1.9101287522571653,
"density_atomic": 0.04257003334072478,
"volume": 375.8512442764178,
"volume_molar": 14.146431861585826,
"formula_full": "Ca1 Mg14 Cr1",
"formula_reduced": "CaMg14Cr",
"formula_anonymous": "ABC14",
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"updated_at": "2021-11-28T01:35:34.578000Z",
"spacegroup": 38
},
{
"id": "mp-1113321",
"created_at": "2022-09-04T14:45:11.586218Z",
"structure_string": "Rb2 In1 Hg1 Cl6\n1.0\n0.000000 5.408000 5.408000\n5.408000 0.000000 5.408000\n5.408000 5.408000 0.000000\nRb In Hg Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Hg\n0.761616 0.238384 0.238384 Cl\n0.238384 0.238384 0.761616 Cl\n0.238384 0.761616 0.761616 Cl\n0.238384 0.761616 0.238384 Cl\n0.761616 0.238384 0.761616 Cl\n0.761616 0.761616 0.238384 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Hg",
"Cl"
],
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"density_atomic": 0.03161258102920583,
"volume": 316.32975462400003,
"volume_molar": 19.049823089219892,
"formula_full": "Rb2 In1 Hg1 Cl6",
"formula_reduced": "Rb2InHgCl6",
"formula_anonymous": "ABC2D6",
"energy": -32.69836801,
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"updated_at": "2021-11-28T01:36:57.269000Z",
"spacegroup": 225
},
{
"id": "mp-1079230",
"created_at": "2022-09-04T14:39:20.522335Z",
"structure_string": "Sn2 H8\n1.0\n2.009995 -3.267642 0.000000\n2.009995 3.267642 0.000000\n0.000000 0.000000 8.276032\nSn H\n2 8\ndirect\n0.909027 0.909027 0.500000 Sn\n0.909027 0.909027 0.000000 Sn\n0.374742 0.587406 0.250000 H\n0.587406 0.374742 0.750000 H\n0.291530 0.735586 0.250000 H\n0.735586 0.291530 0.750000 H\n0.725866 0.383905 0.415688 H\n0.383905 0.725866 0.584312 H\n0.725866 0.383905 0.084312 H\n0.383905 0.725866 0.915688 H\n",
"nsites": 10,
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"elements": [
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"H"
],
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"density": 3.749642266465024,
"density_atomic": 0.0919852930905556,
"volume": 108.71303079020932,
"volume_molar": 6.546851738648545,
"formula_full": "Sn2 H8",
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"spacegroup": 40
},
{
"id": "mp-760418",
"created_at": "2022-09-04T14:43:54.394040Z",
"structure_string": "Ba2 Sr1 I6\n1.0\n4.614995 -7.993405 0.000000\n4.614995 7.993405 0.000000\n0.000000 0.000000 5.079470\nBa Sr I\n2 1 6\ndirect\n0.333333 0.666667 0.500000 Ba\n0.666667 0.333333 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.000000 0.597221 0.000000 I\n0.000000 0.250941 0.500000 I\n0.402779 0.402779 0.000000 I\n0.250941 0.000000 0.500000 I\n0.749059 0.749059 0.500000 I\n0.597221 0.000000 0.000000 I\n",
"nsites": 9,
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"elements": [
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],
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"density": 4.979071321340742,
"density_atomic": 0.024015468392556378,
"volume": 374.7584620414716,
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"formula_full": "Ba2 Sr1 I6",
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"spacegroup": 189
},
{
"id": "mp-1028340",
"created_at": "2022-09-04T14:48:17.187476Z",
"structure_string": "Mg14 Ni1 Sb1\n1.0\n6.242950 -0.000000 -0.000000\n-3.121475 5.406553 -0.000000\n0.000000 0.000000 10.262292\nMg Ni Sb\n14 1 1\ndirect\n0.162616 0.831308 0.125000 Mg\n0.165828 0.832914 0.625000 Mg\n0.668692 0.337384 0.125000 Mg\n0.667086 0.334172 0.625000 Mg\n0.668692 0.831308 0.125000 Mg\n0.667086 0.832914 0.625000 Mg\n0.329093 0.170907 0.358654 Mg\n0.329093 0.170907 0.891346 Mg\n0.329093 0.658187 0.358654 Mg\n0.329093 0.658187 0.891346 Mg\n0.841813 0.170907 0.358654 Mg\n0.841813 0.170907 0.891346 Mg\n0.833333 0.666667 0.374341 Mg\n0.833333 0.666667 0.875659 Mg\n0.166667 0.333333 0.125000 Ni\n0.166667 0.333333 0.625000 Sb\n",
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{
"id": "mp-1215442",
"created_at": "2022-09-04T14:45:24.083112Z",
"structure_string": "Zr2 Al3 Zn1\n1.0\n4.536272 -2.666967 0.000000\n4.536272 2.666967 0.000000\n2.968308 0.000000 4.345069\nZr Al Zn\n2 3 1\ndirect\n0.624661 0.624661 0.624661 Zr\n0.375339 0.375339 0.375339 Zr\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Zn\n",
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"formula_full": "Zr2 Al3 Zn1",
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{
"id": "mp-862848",
"created_at": "2022-09-04T14:48:18.562489Z",
"structure_string": "Pa3 Al1\n1.0\n-2.255028 2.255028 4.518144\n2.255028 -2.255028 4.518144\n2.255028 2.255028 -4.518144\nPa Al\n3 1\ndirect\n0.750000 0.250000 0.500000 Pa\n0.250000 0.750000 0.500000 Pa\n0.500000 0.500000 0.000000 Pa\n0.000000 0.000000 0.000000 Al\n",
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"formula_full": "Pa3 Al1",
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{
"id": "mp-1206675",
"created_at": "2022-09-04T14:46:22.406769Z",
"structure_string": "Pu1 C2\n1.0\n3.660055 0.000000 0.000000\n0.000000 3.660055 0.000000\n-1.830027 -1.830027 3.067775\nPu C\n1 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.391983 0.391983 0.783967 C\n0.608017 0.608017 0.216033 C\n",
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]
}