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"results": [
{
"id": "mp-1204478",
"created_at": "2022-09-04T14:41:47.057375Z",
"structure_string": "Fe4 H64 C16 N8 Cl20\n1.0\n10.859506 0.000000 0.000000\n0.000000 16.021865 0.000000\n-4.577017 0.000000 10.581090\nFe H C N Cl\n4 64 16 8 20\ndirect\n0.235170 0.876168 0.360565 Fe\n0.764830 0.376168 0.139435 Fe\n0.764830 0.123832 0.639435 Fe\n0.235170 0.623832 0.860565 Fe\n0.607514 0.724044 0.327748 H\n0.392486 0.224044 0.172252 H\n0.392486 0.275956 0.672252 H\n0.607514 0.775956 0.827748 H\n0.607586 0.779033 0.201473 H\n0.392414 0.279033 0.298527 H\n0.392414 0.220967 0.798527 H\n0.607586 0.720967 0.701473 H\n0.647826 0.095523 0.042103 H\n0.352174 0.595523 0.457897 H\n0.352174 0.904477 0.957897 H\n0.647826 0.404477 0.542103 H\n0.680789 0.993177 0.058729 H\n0.319211 0.493177 0.441271 H\n0.319211 0.006823 0.941271 H\n0.680789 0.506823 0.558729 H\n0.835271 0.819749 0.315682 H\n0.164729 0.319749 0.184318 H\n0.164729 0.180251 0.684318 H\n0.835271 0.680251 0.815682 H\n0.729768 0.850061 0.395679 H\n0.270232 0.350061 0.104321 H\n0.270232 0.149939 0.604321 H\n0.729768 0.649939 0.895679 H\n0.836931 0.760431 0.448659 H\n0.163069 0.260431 0.051341 H\n0.163069 0.239569 0.551341 H\n0.836931 0.739569 0.948659 H\n0.778772 0.633072 0.318176 H\n0.221228 0.133072 0.181824 H\n0.221228 0.366928 0.681824 H\n0.778772 0.866928 0.818176 H\n0.628243 0.631577 0.176942 H\n0.371757 0.131577 0.323058 H\n0.371757 0.368423 0.823058 H\n0.628243 0.868423 0.676942 H\n0.771367 0.689418 0.180656 H\n0.228633 0.189418 0.319344 H\n0.228633 0.310582 0.819344 H\n0.771367 0.810582 0.680656 H\n0.785186 0.121259 0.262083 H\n0.214814 0.621259 0.237917 H\n0.214814 0.878741 0.737917 H\n0.785186 0.378741 0.762083 H\n0.651605 0.048667 0.237332 H\n0.348395 0.548667 0.262668 H\n0.348395 0.951333 0.762668 H\n0.651605 0.451333 0.737332 H\n0.820434 0.011776 0.280085 H\n0.179566 0.511776 0.219915 H\n0.179566 0.988224 0.719915 H\n0.820434 0.488224 0.780085 H\n0.915720 0.015346 0.114777 H\n0.084280 0.515346 0.385223 H\n0.084280 0.984654 0.885223 H\n0.915720 0.484654 0.614777 H\n0.817853 0.063968 0.965233 H\n0.182147 0.563968 0.534767 H\n0.182147 0.936032 0.034767 H\n0.817853 0.436032 0.465233 H\n0.888155 0.125976 0.105164 H\n0.111845 0.625976 0.394836 H\n0.111845 0.874024 0.894836 H\n0.888155 0.374024 0.605164 H\n0.775304 0.797656 0.366553 C\n0.224696 0.297656 0.133447 C\n0.224696 0.202344 0.633447 C\n0.775304 0.702344 0.866553 C\n0.714808 0.668830 0.235490 C\n0.285192 0.168830 0.264510 C\n0.285192 0.331170 0.764510 C\n0.714808 0.831170 0.735490 C\n0.746469 0.059010 0.227787 C\n0.253531 0.559010 0.272213 C\n0.253531 0.940990 0.772213 C\n0.746469 0.440990 0.727787 C\n0.844747 0.065288 0.067108 C\n0.155253 0.565288 0.432892 C\n0.155253 0.934712 0.932892 C\n0.844747 0.434712 0.567108 C\n0.665502 0.743865 0.280015 N\n0.334498 0.243865 0.219985 N\n0.334498 0.256135 0.719985 N\n0.665502 0.756135 0.780015 N\n0.721608 0.052538 0.091649 N\n0.278392 0.552538 0.408351 N\n0.278392 0.947462 0.908351 N\n0.721608 0.447462 0.591649 N\n0.158800 0.992429 0.410976 Cl\n0.841200 0.492429 0.089024 Cl\n0.841200 0.007571 0.589024 Cl\n0.158800 0.507571 0.910976 Cl\n0.307734 0.790801 0.523661 Cl\n0.692266 0.290801 0.976339 Cl\n0.692266 0.209199 0.476339 Cl\n0.307734 0.709199 0.023661 Cl\n0.066228 0.817036 0.203737 Cl\n0.933772 0.317036 0.296263 Cl\n0.933772 0.182964 0.796263 Cl\n0.066228 0.682964 0.703737 Cl\n0.399012 0.905419 0.299327 Cl\n0.600988 0.405419 0.200673 Cl\n0.600988 0.094581 0.700673 Cl\n0.399012 0.594581 0.799327 Cl\n0.600227 0.866335 0.014253 Cl\n0.399773 0.366335 0.485747 Cl\n0.399773 0.133665 0.985747 Cl\n0.600227 0.633665 0.514253 Cl\n",
"nsites": 112,
"nelements": 5,
"elements": [
"Fe",
"H",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-Fe-H-N",
"density": 1.1736283208399054,
"density_atomic": 0.06083653586313657,
"volume": 1840.9989722617577,
"volume_molar": 9.898888348192537,
"formula_full": "Fe4 H64 C16 N8 Cl20",
"formula_reduced": "FeH16C4N2Cl5",
"formula_anonymous": "AB2C4D5E16",
"energy": -563.2355511,
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"band_gap": 1.6142,
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"updated_at": "2021-11-28T01:35:25.463000Z",
"spacegroup": 14
},
{
"id": "mp-560629",
"created_at": "2022-09-04T14:42:58.285718Z",
"structure_string": "K12 Al8 P12 O48\n1.0\n8.579974 0.000000 0.000000\n0.000000 8.814228 0.000000\n0.000000 0.000000 17.139131\nK Al P O\n12 8 12 48\ndirect\n0.107979 0.513112 0.400016 K\n0.330110 0.826841 0.508744 K\n0.131756 0.043419 0.858953 K\n0.330110 0.326841 0.991256 K\n0.830110 0.673159 0.008744 K\n0.631756 0.456581 0.358953 K\n0.607979 0.486888 0.599984 K\n0.631756 0.956581 0.141047 K\n0.131756 0.543419 0.641047 K\n0.107979 0.013112 0.099984 K\n0.830110 0.173159 0.491256 K\n0.607979 0.986888 0.900016 K\n0.289715 0.631860 0.168544 Al\n0.299876 0.648960 0.838928 Al\n0.289715 0.131860 0.331456 Al\n0.799876 0.851040 0.338928 Al\n0.789715 0.368140 0.831456 Al\n0.799876 0.351040 0.161072 Al\n0.789715 0.868140 0.668544 Al\n0.299876 0.148960 0.661072 Al\n0.363235 0.261135 0.497491 P\n0.434766 0.296464 0.188104 P\n0.941895 0.660069 0.212766 P\n0.934766 0.203536 0.688104 P\n0.441895 0.339931 0.787234 P\n0.934766 0.703536 0.811896 P\n0.941895 0.160069 0.287234 P\n0.363235 0.761135 0.002509 P\n0.434766 0.796464 0.311896 P\n0.863235 0.738865 0.502509 P\n0.863235 0.238865 0.997491 P\n0.441895 0.839931 0.712766 P\n0.535961 0.263485 0.477055 O\n0.397893 0.963136 0.335926 O\n0.105915 0.584434 0.206729 O\n0.297946 0.410796 0.527541 O\n0.035961 0.236515 0.977055 O\n0.605915 0.915566 0.706729 O\n0.830696 0.369835 0.060402 O\n0.913908 0.284241 0.346343 O\n0.797946 0.589204 0.472459 O\n0.297946 0.910796 0.972459 O\n0.616167 0.783302 0.309649 O\n0.397893 0.463136 0.164074 O\n0.366186 0.681637 0.367222 O\n0.616167 0.283302 0.190351 O\n0.866186 0.818363 0.867222 O\n0.330696 0.630165 0.939598 O\n0.430317 0.783372 0.799273 O\n0.897893 0.536864 0.835926 O\n0.262683 0.707426 0.075225 O\n0.830696 0.869835 0.439598 O\n0.366186 0.181637 0.132778 O\n0.105915 0.084434 0.293271 O\n0.116167 0.716698 0.809649 O\n0.930317 0.216628 0.200727 O\n0.762683 0.792574 0.575225 O\n0.330696 0.130165 0.560402 O\n0.535961 0.763485 0.022945 O\n0.913908 0.784241 0.153657 O\n0.880920 0.225170 0.774795 O\n0.262683 0.207426 0.424775 O\n0.430317 0.283372 0.700727 O\n0.605915 0.415566 0.793271 O\n0.318836 0.969638 0.704364 O\n0.380920 0.774830 0.225205 O\n0.897893 0.036864 0.664074 O\n0.318836 0.469638 0.795636 O\n0.116167 0.216698 0.690351 O\n0.413908 0.715759 0.653657 O\n0.866186 0.318363 0.632778 O\n0.380920 0.274830 0.274795 O\n0.797946 0.089204 0.027541 O\n0.880920 0.725170 0.725205 O\n0.930317 0.716628 0.299273 O\n0.818836 0.530362 0.204364 O\n0.413908 0.215759 0.846343 O\n0.035961 0.736515 0.522945 O\n0.818836 0.030362 0.295636 O\n0.762683 0.292574 0.924775 O\n",
"nsites": 80,
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"elements": [
"K",
"Al",
"P",
"O"
],
"chemical_system": "Al-K-O-P",
"density": 2.3376458842951657,
"density_atomic": 0.061720713313182525,
"volume": 1296.1612999199301,
"volume_molar": 9.757082244727995,
"formula_full": "K12 Al8 P12 O48",
"formula_reduced": "K3Al2(PO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -581.04488506,
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"band_gap": 4.3835,
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"total_magnetization": 7.04e-05,
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"updated_at": "2021-11-28T01:35:59.453000Z",
"spacegroup": 33
},
{
"id": "mp-772556",
"created_at": "2022-09-04T14:46:23.686817Z",
"structure_string": "Li14 Cr4 P14 O48\n1.0\n5.058555 0.000000 0.000000\n0.000000 12.130681 0.000000\n0.000000 1.658872 14.979339\nLi Cr P O\n14 4 14 48\ndirect\n0.265163 0.482205 0.054930 Li\n0.179022 0.109647 0.132972 Li\n0.734837 0.982205 0.054930 Li\n0.820978 0.609647 0.132972 Li\n0.833825 0.434227 0.404231 Li\n0.166175 0.934227 0.404231 Li\n0.289798 0.250000 0.500000 Li\n0.710202 0.750000 0.500000 Li\n0.833825 0.065773 0.595769 Li\n0.166175 0.565773 0.595769 Li\n0.179022 0.390353 0.867028 Li\n0.265163 0.017795 0.945070 Li\n0.820978 0.890353 0.867028 Li\n0.734837 0.517795 0.945070 Li\n0.373332 0.293236 0.285574 Cr\n0.626668 0.793236 0.285574 Cr\n0.373332 0.206764 0.714426 Cr\n0.626668 0.706764 0.714426 Cr\n0.564443 0.250000 0.000000 P\n0.435557 0.750000 0.000000 P\n0.874729 0.343651 0.140817 P\n0.125271 0.843651 0.140817 P\n0.622036 0.050292 0.267566 P\n0.377964 0.550292 0.267566 P\n0.860134 0.190415 0.394387 P\n0.139866 0.690415 0.394387 P\n0.860134 0.309585 0.605613 P\n0.139866 0.809585 0.605613 P\n0.622036 0.449708 0.732434 P\n0.377964 0.949708 0.732434 P\n0.874729 0.156349 0.859183 P\n0.125271 0.656349 0.859183 P\n0.413777 0.142103 0.015442 O\n0.586223 0.642103 0.015442 O\n0.770780 0.247623 0.081528 O\n0.873344 0.452640 0.080342 O\n0.229220 0.747623 0.081528 O\n0.126656 0.952640 0.080342 O\n0.148914 0.299777 0.170818 O\n0.735905 0.025709 0.180635 O\n0.687861 0.342364 0.219242 O\n0.851086 0.799777 0.170818 O\n0.264095 0.525709 0.180635 O\n0.388679 0.132845 0.258185 O\n0.312139 0.842364 0.219242 O\n0.611321 0.632845 0.258185 O\n0.862478 0.108549 0.317787 O\n0.137522 0.608549 0.317787 O\n0.051894 0.285803 0.363014 O\n0.447399 0.447057 0.333799 O\n0.576916 0.237093 0.400766 O\n0.948106 0.785803 0.363014 O\n0.552601 0.947057 0.333799 O\n0.423084 0.737093 0.400766 O\n0.960643 0.124456 0.478703 O\n0.039357 0.624456 0.478703 O\n0.960643 0.375544 0.521297 O\n0.039357 0.875544 0.521297 O\n0.576916 0.262907 0.599234 O\n0.447399 0.052943 0.666201 O\n0.051894 0.214197 0.636986 O\n0.423084 0.762907 0.599234 O\n0.552601 0.552943 0.666201 O\n0.948106 0.714197 0.636986 O\n0.862478 0.391451 0.682213 O\n0.137522 0.891451 0.682213 O\n0.388679 0.367155 0.741815 O\n0.687861 0.157636 0.780758 O\n0.611321 0.867155 0.741815 O\n0.735905 0.474291 0.819365 O\n0.148914 0.200223 0.829182 O\n0.312139 0.657636 0.780758 O\n0.264095 0.974291 0.819365 O\n0.851086 0.700223 0.829182 O\n0.873344 0.047360 0.919658 O\n0.770780 0.252377 0.918472 O\n0.126656 0.547360 0.919658 O\n0.229220 0.752377 0.918472 O\n0.413777 0.357897 0.984558 O\n0.586223 0.857897 0.984558 O\n",
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"elements": [
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],
"chemical_system": "Cr-Li-O-P",
"density": 2.722008804353001,
"density_atomic": 0.08703334572982768,
"volume": 919.1879196318516,
"volume_molar": 6.919348796143222,
"formula_full": "Li14 Cr4 P14 O48",
"formula_reduced": "Li7Cr2P7O24",
"formula_anonymous": "A2B7C7D24",
"energy": -589.07248823,
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"updated_at": "2021-11-28T01:37:35.826000Z",
"spacegroup": 13
},
{
"id": "mp-1245148",
"created_at": "2022-09-04T14:43:52.908585Z",
"structure_string": "Ga50 N50\n1.0\n11.837128 -0.115496 -0.042861\n-0.113259 10.896854 0.248820\n-0.041543 0.256191 11.413328\nGa N\n50 50\ndirect\n0.247956 0.310529 0.441100 Ga\n0.118614 0.436941 0.281559 Ga\n0.870316 0.856347 0.039146 Ga\n0.944953 0.809598 0.772902 Ga\n0.134761 0.276463 0.090140 Ga\n0.607546 0.078682 0.683291 Ga\n0.511015 0.740742 0.766045 Ga\n0.915729 0.257019 0.333608 Ga\n0.453527 0.098635 0.411634 Ga\n0.537470 0.080450 0.155404 Ga\n0.146939 0.818936 0.472981 Ga\n0.284298 0.961537 0.204864 Ga\n0.395072 0.266994 0.210127 Ga\n0.677904 0.335988 0.237789 Ga\n0.046661 0.446918 0.505356 Ga\n0.649460 0.016610 0.914294 Ga\n0.243101 0.035188 0.582167 Ga\n0.304772 0.557626 0.875432 Ga\n0.930527 0.689177 0.573069 Ga\n0.294195 0.516699 0.092911 Ga\n0.675196 0.139853 0.436630 Ga\n0.499753 0.272404 0.588175 Ga\n0.917805 0.593174 0.349301 Ga\n0.902150 0.125428 0.919396 Ga\n0.444060 0.464562 0.375121 Ga\n0.148170 0.770171 0.971379 Ga\n0.802494 0.586767 0.162732 Ga\n0.267601 0.659114 0.334111 Ga\n0.605983 0.791661 0.020644 Ga\n0.844869 0.074699 0.160426 Ga\n0.893839 0.473645 0.759885 Ga\n0.893454 0.202064 0.627130 Ga\n0.493223 0.920374 0.561358 Ga\n0.655586 0.637695 0.532219 Ga\n0.061099 0.810399 0.231560 Ga\n0.133143 0.560153 0.738170 Ga\n0.575719 0.495031 0.765105 Ga\n0.729801 0.814065 0.739248 Ga\n0.806614 0.634774 0.882484 Ga\n0.868528 0.881688 0.363348 Ga\n0.800703 0.400639 0.512868 Ga\n0.897302 0.320933 0.071220 Ga\n0.140185 0.053069 0.051339 Ga\n0.824306 0.946957 0.571508 Ga\n0.493853 0.591491 0.024986 Ga\n0.250408 0.824063 0.691277 Ga\n0.361291 0.804767 0.066261 Ga\n0.365733 0.631083 0.551568 Ga\n0.731795 0.253367 0.813344 Ga\n0.613447 0.402646 0.024002 Ga\n0.510216 0.532450 0.523006 N\n0.361361 0.981374 0.835557 N\n0.449104 0.744679 0.324741 N\n0.752869 0.103566 0.586688 N\n0.989072 0.754504 0.407409 N\n0.651185 0.658690 0.700257 N\n0.811469 0.344953 0.683184 N\n0.407565 0.780341 0.636978 N\n0.057715 0.094967 0.351249 N\n0.386693 0.300771 0.868402 N\n0.554085 0.263987 0.149636 N\n0.462127 0.592184 0.848832 N\n0.251651 0.511798 0.624731 N\n0.803682 0.580231 0.486945 N\n0.207031 0.214375 0.728098 N\n0.076395 0.999389 0.613242 N\n0.009034 0.327412 0.206787 N\n0.680423 0.866921 0.380831 N\n0.415990 0.283998 0.429298 N\n0.773910 0.708351 0.033323 N\n0.099429 0.678149 0.125127 N\n0.171604 0.596309 0.182679 N\n0.315841 0.022966 0.910573 N\n0.207750 0.836104 0.310439 N\n0.647614 0.596501 0.267600 N\n0.198313 0.703437 0.816671 N\n0.001989 0.541716 0.642033 N\n0.557279 0.963579 0.048367 N\n0.599629 0.500733 0.277299 N\n0.029434 0.439841 0.869623 N\n0.626828 0.817430 0.458838 N\n0.950151 0.303027 0.492656 N\n0.152039 0.110213 0.361661 N\n0.209117 0.436591 0.549799 N\n0.398378 0.087079 0.247768 N\n0.923874 0.904560 0.198570 N\n0.385246 0.243764 0.953787 N\n0.030657 0.395999 0.969987 N\n0.037379 0.008821 0.931770 N\n0.764445 0.418465 0.109818 N\n0.752307 0.295012 0.379109 N\n0.535259 0.439134 0.611455 N\n0.480499 0.801330 0.244360 N\n0.128146 0.233271 0.775775 N\n0.980777 0.030815 0.627553 N\n0.795670 0.010032 0.002505 N\n0.611609 0.850118 0.851672 N\n0.007460 0.880552 0.928604 N\n0.264600 0.356231 0.165293 N\n0.634561 0.371559 0.867310 N\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Ga",
"N"
],
"chemical_system": "Ga-N",
"density": 4.725095523611127,
"density_atomic": 0.06796916830578784,
"volume": 1471.2553131459256,
"volume_molar": 8.860106589662642,
"formula_full": "Ga50 N50",
"formula_reduced": "GaN",
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