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{
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"formula_full": "Co8 Sn2 C32 O32",
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"formula_anonymous": "AB4C16D16",
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"spacegroup": 219
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{
"id": "mp-1209315",
"created_at": "2022-09-04T14:44:40.799365Z",
"structure_string": "Rb3 Dy1 V2 O8\n1.0\n-3.042358 -5.269519 0.000000\n-3.042358 5.269519 0.000000\n0.000000 0.000000 -7.887967\nRb Dy V O\n3 1 2 8\ndirect\n0.666667 0.333333 0.308854 Rb\n0.333333 0.666667 0.691146 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Dy\n0.666667 0.333333 0.747681 V\n0.333333 0.666667 0.252319 V\n0.666667 0.333333 0.960488 O\n0.333333 0.666667 0.039512 O\n0.824724 0.649448 0.670222 O\n0.175276 0.350552 0.329778 O\n0.824724 0.175276 0.670222 O\n0.175276 0.824724 0.329778 O\n0.350552 0.175276 0.670222 O\n0.649448 0.824724 0.329778 O\n",
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{
"id": "mp-1208413",
"created_at": "2022-09-04T14:44:40.810204Z",
"structure_string": "Tb10 Sb2 Pd4\n1.0\n-3.914933 3.914933 6.798345\n3.914933 -3.914933 6.798345\n3.914933 3.914933 -6.798345\nTb Sb Pd\n10 2 4\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.000000 Tb\n0.798993 0.298993 0.813124 Tb\n0.201007 0.701007 0.186876 Tb\n0.485870 0.985870 0.186876 Tb\n0.298993 0.485870 0.500000 Tb\n0.014130 0.201007 0.500000 Tb\n0.514130 0.014130 0.813124 Tb\n0.701007 0.514130 0.500000 Tb\n0.985870 0.798993 0.500000 Tb\n0.250000 0.250000 0.000000 Sb\n0.750000 0.750000 0.000000 Sb\n0.136548 0.636548 0.773097 Pd\n0.863452 0.363452 0.226903 Pd\n0.636548 0.863452 0.500000 Pd\n0.363452 0.136548 0.500000 Pd\n",
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{
"id": "mp-1016241",
"created_at": "2022-09-04T14:44:40.820796Z",
"structure_string": "Mg3 Mn1\n1.0\n3.095143 0.000000 0.000000\n0.000000 4.900468 0.000000\n0.000000 0.000000 5.301453\nMg Mn\n3 1\ndirect\n0.500000 0.000000 0.666154 Mg\n0.500000 0.500000 0.323852 Mg\n0.000000 0.500000 0.842277 Mg\n0.000000 0.000000 0.167716 Mn\n",
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{
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"structure_string": "Y1 Cu1 O1\n1.0\n3.219943 -0.145212 4.372984\n1.331339 2.935415 4.372984\n-0.236864 -0.145212 5.425396\nY Cu O\n1 1 1\ndirect\n0.495931 0.495931 0.495931 Y\n0.016357 0.016357 0.016357 Cu\n0.881241 0.881241 0.881241 O\n",
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{
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"structure_string": "Ba2 Zr2 N4\n1.0\n4.204278 0.000000 0.000000\n0.000000 4.204278 0.000000\n0.000000 0.000000 8.486900\nBa Zr N\n2 2 4\ndirect\n0.000000 0.500000 0.152583 Ba\n0.500000 0.000000 0.847417 Ba\n0.500000 0.000000 0.412862 Zr\n0.000000 0.500000 0.587138 Zr\n0.000000 0.500000 0.824512 N\n0.500000 0.000000 0.175488 N\n0.000000 0.000000 0.500000 N\n0.500000 0.500000 0.500000 N\n",
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{
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"structure_string": "Mg1 Mn1 Pd2\n1.0\n-4.942281 5.524838 7.811949\n4.942281 -5.524838 7.811949\n4.942281 5.524838 -7.811949\nMg Mn Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mn\n0.000000 0.256199 0.256199 Pd\n0.000000 0.743801 0.743801 Pd\n",
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{
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"structure_string": "Mg14 Fe1 Sb1\n1.0\n6.274652 0.000000 0.000000\n-3.137326 5.434007 0.000000\n0.000000 0.000000 10.256320\nMg Fe Sb\n14 1 1\ndirect\n0.164501 0.832250 0.125000 Mg\n0.165370 0.832685 0.625000 Mg\n0.667750 0.335499 0.125000 Mg\n0.667315 0.334630 0.625000 Mg\n0.667750 0.832250 0.125000 Mg\n0.667315 0.832685 0.625000 Mg\n0.329365 0.170635 0.361863 Mg\n0.329365 0.170635 0.888137 Mg\n0.329365 0.658731 0.361863 Mg\n0.329365 0.658731 0.888137 Mg\n0.841269 0.170635 0.361863 Mg\n0.841269 0.170635 0.888137 Mg\n0.833333 0.666667 0.373956 Mg\n0.833333 0.666667 0.876044 Mg\n0.166667 0.333333 0.125000 Fe\n0.166667 0.333333 0.625000 Sb\n",
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"volume": 349.7046445265494,
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{
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{
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"structure_string": "Ho20 In40 Rh19\n1.0\n13.552069 0.000000 0.000000\n0.000000 13.552069 0.000000\n0.000000 0.000000 9.397019\nHo In Rh\n20 40 19\ndirect\n0.500000 0.000000 0.849321 Ho\n0.000000 0.500000 0.150679 Ho\n0.500000 0.000000 0.357485 Ho\n0.000000 0.500000 0.642515 Ho\n0.703559 0.798310 0.263393 Ho\n0.296441 0.798310 0.263393 Ho\n0.703559 0.201690 0.263393 Ho\n0.296441 0.201690 0.263393 Ho\n0.798310 0.703559 0.736607 Ho\n0.201690 0.703559 0.736607 Ho\n0.798310 0.296441 0.736607 Ho\n0.201690 0.296441 0.736607 Ho\n0.774687 0.000000 0.769534 Ho\n0.225313 0.000000 0.769534 Ho\n0.500000 0.723084 0.766782 Ho\n0.500000 0.276916 0.766782 Ho\n0.723084 0.500000 0.233218 Ho\n0.276916 0.500000 0.233218 Ho\n0.000000 0.774687 0.230466 Ho\n0.000000 0.225313 0.230466 Ho\n0.150316 0.150316 0.000000 In\n0.849684 0.150316 0.000000 In\n0.150316 0.849684 0.000000 In\n0.849684 0.849684 0.000000 In\n0.349850 0.349850 0.000000 In\n0.650150 0.349850 0.000000 In\n0.349850 0.650150 0.000000 In\n0.650150 0.650150 0.000000 In\n0.330714 0.000000 0.098442 In\n0.669286 0.000000 0.098442 In\n0.500000 0.169362 0.098311 In\n0.500000 0.830638 0.098311 In\n0.169362 0.500000 0.901689 In\n0.830638 0.500000 0.901689 In\n0.000000 0.330714 0.901558 In\n0.000000 0.669286 0.901558 In\n0.113197 0.000000 0.239241 In\n0.886803 0.000000 0.239241 In\n0.500000 0.385686 0.240010 In\n0.500000 0.614314 0.240010 In\n0.385686 0.500000 0.759990 In\n0.614314 0.500000 0.759990 In\n0.000000 0.113197 0.760759 In\n0.000000 0.886803 0.760759 In\n0.640201 0.640201 0.500000 In\n0.359799 0.640201 0.500000 In\n0.640201 0.359799 0.500000 In\n0.359799 0.359799 0.500000 In\n0.867455 0.867455 0.500000 In\n0.132545 0.867455 0.500000 In\n0.867455 0.132545 0.500000 In\n0.132545 0.132545 0.500000 In\n0.630432 0.869661 0.594616 In\n0.369568 0.869661 0.594616 In\n0.630432 0.130339 0.594616 In\n0.369568 0.130339 0.594616 In\n0.869661 0.630432 0.405384 In\n0.130339 0.630432 0.405384 In\n0.869661 0.369568 0.405384 In\n0.130339 0.369568 0.405384 In\n0.277517 0.000000 0.406535 Rh\n0.722483 0.000000 0.406535 Rh\n0.500000 0.220534 0.406091 Rh\n0.500000 0.779466 0.406091 Rh\n0.220534 0.500000 0.593909 Rh\n0.779466 0.500000 0.593909 Rh\n0.000000 0.277517 0.593465 Rh\n0.000000 0.722483 0.593465 Rh\n0.845057 0.654645 0.105355 Rh\n0.154943 0.654645 0.105355 Rh\n0.845057 0.345355 0.105355 Rh\n0.154943 0.345355 0.105355 Rh\n0.654645 0.845057 0.894645 Rh\n0.345355 0.845057 0.894645 Rh\n0.654645 0.154943 0.894645 Rh\n0.345355 0.154943 0.894645 Rh\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n",
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"elements": [
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],
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"density": 9.473948776034455,
"density_atomic": 0.045774728590553926,
"volume": 1725.8431110895203,
"volume_molar": 13.156038157794185,
"formula_full": "Ho20 In40 Rh19",
"formula_reduced": "Ho20In40Rh19",
"formula_anonymous": "A19B20C40",
"energy": -388.67974114,
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"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -388.67974114,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.5969683,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.419000Z",
"spacegroup": 115
},
{
"id": "mp-831073",
"created_at": "2022-09-04T14:44:26.730229Z",
"structure_string": "Li4 Fe4 P4 H8 O20\n1.0\n5.086117 0.000000 0.000000\n0.000000 8.215057 0.000000\n0.000000 0.000000 11.021358\nLi Fe P H O\n4 4 4 8 20\ndirect\n0.260032 0.677291 0.184758 Li\n0.760032 0.177291 0.315242 Li\n0.260032 0.822709 0.684758 Li\n0.760032 0.322709 0.815242 Li\n0.754321 0.868867 0.120146 Fe\n0.254321 0.368867 0.379854 Fe\n0.754321 0.631133 0.620146 Fe\n0.254321 0.131133 0.879854 Fe\n0.257087 0.079109 0.173181 P\n0.757087 0.579109 0.326819 P\n0.257087 0.420891 0.673181 P\n0.757087 0.920891 0.826819 P\n0.590773 0.454062 0.016678 H\n0.823611 0.329690 0.043454 H\n0.323611 0.829690 0.456546 H\n0.090773 0.954062 0.483322 H\n0.590773 0.045938 0.516678 H\n0.823611 0.170310 0.543454 H\n0.323611 0.670310 0.956546 H\n0.090773 0.545938 0.983322 H\n0.257891 0.589473 0.014605 O\n0.189523 0.172555 0.055099 O\n0.140631 0.903531 0.167455 O\n0.559855 0.064115 0.191795 O\n0.636709 0.672695 0.217575 O\n0.136709 0.172695 0.282425 O\n0.059855 0.564115 0.308205 O\n0.640631 0.403531 0.332545 O\n0.689523 0.672555 0.444901 O\n0.757891 0.089473 0.485395 O\n0.257891 0.910527 0.514605 O\n0.189523 0.327445 0.555099 O\n0.140631 0.596469 0.667455 O\n0.559855 0.435885 0.691795 O\n0.636709 0.827305 0.717575 O\n0.136709 0.327305 0.782425 O\n0.059855 0.935885 0.808205 O\n0.640631 0.096469 0.832545 O\n0.689523 0.827445 0.944901 O\n0.757891 0.410527 0.985395 O\n",
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"formula_full": "Li4 Fe4 P4 H8 O20",
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"updated_at": "2021-11-28T01:36:39.145000Z",
"spacegroup": 33
}
]
}