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{
"id": "mp-5821",
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{
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"volume": 426.4834565528908,
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"formula_full": "V2 H20 S2 O20",
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{
"id": "mp-1200410",
"created_at": "2022-09-04T14:45:37.687750Z",
"structure_string": "Er5 P12 Ru19\n1.0\n6.255031 -10.834032 0.000000\n6.255031 10.834032 0.000000\n0.000000 0.000000 3.961563\nEr P Ru\n5 12 19\ndirect\n0.184763 0.184763 0.500000 Er\n0.815237 0.000000 0.500000 Er\n0.000000 0.815237 0.500000 Er\n0.333333 0.666667 0.000000 Er\n0.666667 0.333333 0.000000 Er\n0.816594 0.816594 0.000000 P\n0.183406 0.000000 0.000000 P\n0.000000 0.183406 0.000000 P\n0.170198 0.477994 0.500000 P\n0.522006 0.692204 0.500000 P\n0.307796 0.829802 0.500000 P\n0.692204 0.522006 0.500000 P\n0.829802 0.307796 0.500000 P\n0.477994 0.170198 0.500000 P\n0.372199 0.372199 0.000000 P\n0.627801 0.000000 0.000000 P\n0.000000 0.627801 0.000000 P\n0.554655 0.554655 0.000000 Ru\n0.445345 0.000000 0.000000 Ru\n0.000000 0.445345 0.000000 Ru\n0.717215 0.717215 0.500000 Ru\n0.282785 0.000000 0.500000 Ru\n0.000000 0.282785 0.500000 Ru\n0.184242 0.376925 0.000000 Ru\n0.623075 0.807317 0.000000 Ru\n0.192683 0.815758 0.000000 Ru\n0.807317 0.623075 0.000000 Ru\n0.815758 0.192683 0.000000 Ru\n0.376925 0.184242 0.000000 Ru\n0.364964 0.491206 0.500000 Ru\n0.508794 0.873758 0.500000 Ru\n0.126242 0.635036 0.500000 Ru\n0.873758 0.508794 0.500000 Ru\n0.635036 0.126242 0.500000 Ru\n0.491206 0.364964 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n",
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"density": 9.6748169655926,
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"volume": 536.9281119247395,
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"formula_full": "Er5 P12 Ru19",
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"energy": -295.00217441,
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"spacegroup": 189
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{
"id": "mp-13473",
"created_at": "2022-09-04T14:45:37.768012Z",
"structure_string": "Sm1 Mn2 Si2\n1.0\n-1.970903 1.970903 5.206327\n1.970903 -1.970903 5.206327\n1.970903 1.970903 -5.206327\nSm Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.622894 0.622894 0.000000 Si\n0.377106 0.377106 0.000000 Si\n",
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"density": 6.494913473194526,
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"volume": 80.89504749565214,
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"formula_full": "Sm1 Mn2 Si2",
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"formula_anonymous": "AB2C2",
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"updated_at": "2021-11-28T01:37:07.568000Z",
"spacegroup": 139
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{
"id": "mp-28344",
"created_at": "2022-09-04T14:45:37.773755Z",
"structure_string": "Zr12 C2 I28\n1.0\n7.588504 -7.989735 0.000000\n7.588504 7.989735 0.000000\n0.000000 0.000000 13.142053\nZr C I\n12 2 28\ndirect\n0.626652 0.626652 0.092419 Zr\n0.873348 0.873348 0.592419 Zr\n0.126652 0.126652 0.407581 Zr\n0.373348 0.373348 0.907581 Zr\n0.453592 0.665016 0.891426 Zr\n0.046408 0.834984 0.391426 Zr\n0.165016 0.953592 0.608574 Zr\n0.334984 0.546408 0.108574 Zr\n0.546408 0.334984 0.108574 Zr\n0.953592 0.165016 0.608574 Zr\n0.834984 0.046408 0.391426 Zr\n0.665016 0.453592 0.891426 Zr\n0.500000 0.500000 0.000000 C\n0.000000 0.000000 0.500000 C\n0.106366 0.354534 0.511043 I\n0.393634 0.145466 0.011043 I\n0.107469 0.607469 0.250000 I\n0.392531 0.892531 0.750000 I\n0.892531 0.392531 0.750000 I\n0.607469 0.107469 0.250000 I\n0.143547 0.143547 0.761537 I\n0.356453 0.356453 0.261537 I\n0.643547 0.643547 0.738463 I\n0.856453 0.856453 0.238463 I\n0.751481 0.248519 0.000000 I\n0.748519 0.251481 0.500000 I\n0.248519 0.751481 0.000000 I\n0.251481 0.748519 0.500000 I\n0.645466 0.893634 0.488957 I\n0.854534 0.606366 0.988957 I\n0.606366 0.854534 0.988957 I\n0.893634 0.645466 0.488957 I\n0.354534 0.106366 0.511043 I\n0.145466 0.393634 0.011043 I\n0.212884 0.966236 0.254762 I\n0.287116 0.533764 0.754762 I\n0.466236 0.712884 0.245238 I\n0.033764 0.787116 0.745238 I\n0.787116 0.033764 0.745238 I\n0.712884 0.466236 0.245238 I\n0.533764 0.287116 0.754762 I\n0.966236 0.212884 0.254762 I\n",
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{
"id": "mp-1214426",
"created_at": "2022-09-04T14:45:37.788149Z",
"structure_string": "Ca4 Rh6 Pb19\n1.0\n-6.022608 6.022608 6.022608\n6.022608 -6.022608 6.022608\n6.022608 6.022608 -6.022608\nCa Rh Pb\n4 6 19\ndirect\n0.659220 0.659220 0.659220 Ca\n0.340780 0.000000 0.000000 Ca\n0.000000 0.340780 0.000000 Ca\n0.000000 0.000000 0.340780 Ca\n0.383315 0.883315 0.500000 Rh\n0.616685 0.116685 0.500000 Rh\n0.883315 0.500000 0.383315 Rh\n0.116685 0.500000 0.616685 Rh\n0.500000 0.383315 0.883315 Rh\n0.500000 0.616685 0.116685 Rh\n0.692028 0.692028 0.000000 Pb\n0.307972 0.307972 0.000000 Pb\n0.692028 0.000000 0.692028 Pb\n0.307972 0.000000 0.307972 Pb\n0.000000 0.692028 0.692028 Pb\n0.000000 0.307972 0.307972 Pb\n0.000000 0.000000 0.000000 Pb\n0.369099 0.616275 0.318975 Pb\n0.630901 0.949876 0.247176 Pb\n0.702700 0.383725 0.752824 Pb\n0.616275 0.318975 0.369099 Pb\n0.297300 0.050124 0.681025 Pb\n0.949876 0.247176 0.630901 Pb\n0.383725 0.752824 0.702700 Pb\n0.050124 0.681025 0.297300 Pb\n0.318975 0.369099 0.616275 Pb\n0.752824 0.702700 0.383725 Pb\n0.681025 0.297300 0.050124 Pb\n0.247176 0.630901 0.949876 Pb\n",
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{
"id": "mp-1219249",
"created_at": "2022-09-04T14:45:37.814182Z",
"structure_string": "Si3 P3 Ir1\n1.0\n4.929493 0.000000 0.000000\n-0.462050 4.926007 0.000000\n-1.693939 -1.933158 4.871632\nSi P Ir\n3 3 1\ndirect\n0.413324 0.401985 0.638928 Si\n0.594202 0.590467 0.364038 Si\n0.289303 0.843251 0.842453 Si\n0.158671 0.706281 0.154963 P\n0.845611 0.293029 0.849642 P\n0.707017 0.160448 0.150015 P\n0.997671 0.998739 0.499962 Ir\n",
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"updated_at": "2021-11-28T01:37:10.127000Z",
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{
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