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{
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{
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{
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"spacegroup": 88
},
{
"id": "mp-554930",
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"structure_string": "Nb8 Ag4 P4 S40\n1.0\n4.116457 12.659592 0.000000\n-4.116457 12.659592 0.000000\n0.000000 0.853059 13.031600\nNb Ag P S\n8 4 4 40\ndirect\n0.202634 0.067308 0.286535 Nb\n0.914800 0.811798 0.504812 Nb\n0.085200 0.188202 0.495188 Nb\n0.932692 0.797366 0.213465 Nb\n0.797366 0.932692 0.713465 Nb\n0.067308 0.202634 0.786535 Nb\n0.188202 0.085200 0.995188 Nb\n0.811798 0.914800 0.004812 Nb\n0.585979 0.528581 0.904387 Ag\n0.471419 0.414021 0.595613 Ag\n0.414021 0.471419 0.095613 Ag\n0.528581 0.585979 0.404387 Ag\n0.533696 0.278694 0.866577 P\n0.278694 0.533696 0.366577 P\n0.721306 0.466304 0.633423 P\n0.466304 0.721306 0.133423 P\n0.200791 0.929987 0.146181 S\n0.149720 0.260006 0.632264 S\n0.510896 0.781456 0.006344 S\n0.740834 0.523463 0.769410 S\n0.946635 0.181329 0.930361 S\n0.739994 0.850280 0.867736 S\n0.781456 0.510896 0.506344 S\n0.597577 0.485790 0.114574 S\n0.932392 0.658250 0.093103 S\n0.514210 0.402423 0.385426 S\n0.850280 0.739994 0.367736 S\n0.341750 0.067608 0.406897 S\n0.402423 0.514210 0.885426 S\n0.888471 0.694760 0.641450 S\n0.053365 0.818671 0.069639 S\n0.489104 0.218544 0.993656 S\n0.181329 0.946635 0.430361 S\n0.985985 0.703856 0.856456 S\n0.296144 0.014015 0.643544 S\n0.179272 0.952204 0.870449 S\n0.047796 0.820728 0.629551 S\n0.694760 0.888471 0.141450 S\n0.799209 0.070013 0.853819 S\n0.820728 0.047796 0.129551 S\n0.260006 0.149720 0.132264 S\n0.485790 0.597577 0.614574 S\n0.305240 0.111529 0.858550 S\n0.523463 0.740834 0.269410 S\n0.111529 0.305240 0.358550 S\n0.476537 0.259166 0.730590 S\n0.818671 0.053365 0.569639 S\n0.259166 0.476537 0.230590 S\n0.703856 0.985985 0.356456 S\n0.952204 0.179272 0.370449 S\n0.070013 0.799209 0.353819 S\n0.929987 0.200791 0.646181 S\n0.067608 0.341750 0.906897 S\n0.218544 0.489104 0.493656 S\n0.658250 0.932392 0.593103 S\n0.014015 0.296144 0.143544 S\n",
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"formula_full": "Nb8 Ag4 P4 S40",
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},
{
"id": "mp-556762",
"created_at": "2022-09-04T14:47:32.222880Z",
"structure_string": "B2 S4 N4 O2 F14\n1.0\n8.041325 0.000000 0.000000\n0.000000 6.139897 0.000000\n0.000000 2.894600 7.724348\nB S N O F\n2 4 4 2 14\ndirect\n0.250000 0.367710 0.173646 B\n0.750000 0.632290 0.826354 B\n0.250000 0.676699 0.569276 S\n0.750000 0.210554 0.135298 S\n0.750000 0.323301 0.430724 S\n0.250000 0.789446 0.864702 S\n0.250000 0.556136 0.981561 N\n0.750000 0.443864 0.018439 N\n0.750000 0.145211 0.340180 N\n0.250000 0.854789 0.659820 N\n0.250000 0.433127 0.650984 O\n0.750000 0.566873 0.349016 O\n0.893135 0.043487 0.121728 F\n0.107360 0.757239 0.435956 F\n0.894112 0.596422 0.742881 F\n0.105888 0.403578 0.257119 F\n0.250000 0.150142 0.157042 F\n0.106865 0.956513 0.878272 F\n0.393135 0.956513 0.878272 F\n0.892640 0.242761 0.564044 F\n0.750000 0.849858 0.842958 F\n0.606865 0.043487 0.121728 F\n0.392640 0.757239 0.435956 F\n0.394112 0.403578 0.257119 F\n0.607360 0.242761 0.564044 F\n0.605888 0.596422 0.742881 F\n",
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},
{
"id": "mp-569273",
"created_at": "2022-09-04T14:47:32.234146Z",
"structure_string": "Mg88 Ir14\n1.0\n0.000000 10.049179 10.049179\n10.049179 0.000000 10.049179\n10.049179 10.049179 0.000000\nMg Ir\n88 14\ndirect\n0.519818 0.868135 0.092229 Mg\n0.442551 0.661710 0.234030 Mg\n0.855830 0.644170 0.644170 Mg\n0.784488 0.784488 0.000096 Mg\n0.661710 0.234030 0.661710 Mg\n0.519818 0.519818 0.092229 Mg\n0.661710 0.442551 0.234030 Mg\n0.234030 0.442551 0.661710 Mg\n0.438261 0.685217 0.438261 Mg\n0.280576 0.913759 0.280576 Mg\n0.051893 0.051893 0.051893 Mg\n0.180449 0.819551 0.819551 Mg\n0.089242 0.303586 0.303586 Mg\n0.868135 0.519818 0.519818 Mg\n0.234030 0.661710 0.661710 Mg\n0.665403 0.020428 0.293742 Mg\n0.525089 0.913759 0.280576 Mg\n0.661710 0.442551 0.661710 Mg\n0.092229 0.519818 0.519818 Mg\n0.293742 0.665403 0.020428 Mg\n0.784488 0.430929 0.000096 Mg\n0.685217 0.438261 0.438261 Mg\n0.844321 0.051893 0.051893 Mg\n0.519818 0.519818 0.868135 Mg\n0.180449 0.819551 0.180449 Mg\n0.234030 0.661710 0.442551 Mg\n0.051893 0.844321 0.051893 Mg\n0.438261 0.438261 0.438261 Mg\n0.092229 0.519818 0.868135 Mg\n0.868135 0.092229 0.519818 Mg\n0.661710 0.661710 0.442551 Mg\n0.020428 0.665403 0.020428 Mg\n0.438261 0.438261 0.685217 Mg\n0.293742 0.020428 0.665403 Mg\n0.665403 0.293742 0.020428 Mg\n0.498468 0.167177 0.167177 Mg\n0.784488 0.000096 0.784488 Mg\n0.430929 0.784488 0.784488 Mg\n0.000096 0.430929 0.784488 Mg\n0.303586 0.089242 0.303586 Mg\n0.784488 0.784488 0.430929 Mg\n0.280576 0.913759 0.525089 Mg\n0.819551 0.180449 0.180449 Mg\n0.855830 0.855830 0.644170 Mg\n0.430929 0.784488 0.000096 Mg\n0.819551 0.819551 0.180449 Mg\n0.167177 0.167177 0.167177 Mg\n0.644170 0.644170 0.855830 Mg\n0.303586 0.303586 0.089242 Mg\n0.280576 0.525089 0.280576 Mg\n0.784488 0.000096 0.430929 Mg\n0.519818 0.092229 0.519818 Mg\n0.167177 0.498468 0.167177 Mg\n0.293742 0.020428 0.020428 Mg\n0.020428 0.020428 0.293742 Mg\n0.525089 0.280576 0.913759 Mg\n0.819551 0.180449 0.819551 Mg\n0.020428 0.293742 0.020428 Mg\n0.661710 0.234030 0.442551 Mg\n0.665403 0.020428 0.020428 Mg\n0.020428 0.020428 0.665403 Mg\n0.280576 0.525089 0.913759 Mg\n0.868135 0.519818 0.092229 Mg\n0.644170 0.855830 0.855830 Mg\n0.519818 0.092229 0.868135 Mg\n0.280576 0.280576 0.913759 Mg\n0.913759 0.280576 0.280576 Mg\n0.913759 0.280576 0.525089 Mg\n0.525089 0.280576 0.280576 Mg\n0.167177 0.167177 0.498468 Mg\n0.020428 0.293742 0.665403 Mg\n0.442551 0.661710 0.661710 Mg\n0.020428 0.665403 0.293742 Mg\n0.855830 0.644170 0.855830 Mg\n0.784488 0.430929 0.784488 Mg\n0.000096 0.784488 0.784488 Mg\n0.644170 0.855830 0.644170 Mg\n0.180449 0.180449 0.819551 Mg\n0.051893 0.051893 0.844321 Mg\n0.430929 0.000096 0.784488 Mg\n0.280576 0.280576 0.525089 Mg\n0.092229 0.868135 0.519818 Mg\n0.661710 0.661710 0.234030 Mg\n0.913759 0.525089 0.280576 Mg\n0.442551 0.234030 0.661710 Mg\n0.519818 0.868135 0.519818 Mg\n0.000096 0.784488 0.430929 Mg\n0.303586 0.303586 0.303586 Mg\n0.413673 0.086327 0.413673 Ir\n0.249565 0.916812 0.916812 Ir\n0.651152 0.651152 0.046545 Ir\n0.651152 0.046545 0.651152 Ir\n0.916812 0.916812 0.249565 Ir\n0.916812 0.916812 0.916812 Ir\n0.916812 0.249565 0.916812 Ir\n0.086327 0.086327 0.413673 Ir\n0.086327 0.413673 0.086327 Ir\n0.046545 0.651152 0.651152 Ir\n0.651152 0.651152 0.651152 Ir\n0.413673 0.413673 0.086327 Ir\n0.413673 0.086327 0.086327 Ir\n0.086327 0.413673 0.413673 Ir\n",
"nsites": 102,
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],
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"density": 3.9515139211426757,
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"volume": 2029.6527523285658,
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"formula_full": "Mg88 Ir14",
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"spacegroup": 216
},
{
"id": "mp-581225",
"created_at": "2022-09-04T14:47:26.421684Z",
"structure_string": "K2 Li2 Nd4 Mo8 O32\n1.0\n6.527393 2.703871 0.000000\n-6.527393 2.703871 0.000000\n0.000000 1.180715 19.887211\nK Li Nd Mo O\n2 2 4 8 32\ndirect\n0.967931 0.032069 0.750000 K\n0.032069 0.967931 0.250000 K\n0.310326 0.689674 0.250000 Li\n0.689674 0.310326 0.750000 Li\n0.853823 0.147356 0.533477 Nd\n0.146177 0.852644 0.466523 Nd\n0.147356 0.853823 0.033477 Nd\n0.852644 0.146177 0.966523 Nd\n0.577647 0.452953 0.907494 Mo\n0.268642 0.758186 0.850909 Mo\n0.452953 0.577647 0.407494 Mo\n0.758186 0.268642 0.350909 Mo\n0.241814 0.731358 0.649091 Mo\n0.731358 0.241814 0.149091 Mo\n0.547047 0.422353 0.592506 Mo\n0.422353 0.547047 0.092506 Mo\n0.504260 0.692287 0.170887 O\n0.692287 0.504260 0.670887 O\n0.410359 0.931661 0.931522 O\n0.766888 0.678143 0.398702 O\n0.061629 0.472458 0.713605 O\n0.233112 0.321857 0.601298 O\n0.261080 0.221127 0.959911 O\n0.819607 0.486716 0.957028 O\n0.513284 0.180393 0.542972 O\n0.256744 0.980575 0.672636 O\n0.527542 0.938371 0.786395 O\n0.495740 0.307713 0.829113 O\n0.931661 0.410359 0.431522 O\n0.743256 0.019425 0.327364 O\n0.472458 0.061629 0.213605 O\n0.738920 0.778873 0.040089 O\n0.019425 0.743256 0.827364 O\n0.585279 0.895354 0.633954 O\n0.778873 0.738920 0.540089 O\n0.414721 0.104646 0.366046 O\n0.678143 0.766888 0.898702 O\n0.589641 0.068339 0.068478 O\n0.307713 0.495740 0.329113 O\n0.104646 0.414721 0.866046 O\n0.980575 0.256744 0.172636 O\n0.938371 0.527542 0.286395 O\n0.068339 0.589641 0.568478 O\n0.895354 0.585279 0.133954 O\n0.321857 0.233112 0.101298 O\n0.221127 0.261080 0.459911 O\n0.486716 0.819607 0.457028 O\n0.180393 0.513284 0.042972 O\n",
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"formula_full": "K2 Li2 Nd4 Mo8 O32",
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{
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