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{
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"results": [
{
"id": "mp-1094580",
"created_at": "2022-09-04T14:40:56.075054Z",
"structure_string": "Li3 Mg3\n1.0\n1.582285 -2.740598 0.000000\n1.582285 2.740598 0.000000\n0.000000 0.000000 15.029430\nLi Mg\n3 3\ndirect\n0.000000 0.000000 0.666243 Li\n0.666667 0.333333 0.500000 Li\n0.000000 0.000000 0.333757 Li\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.831274 Mg\n0.666667 0.333333 0.168726 Mg\n",
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"elements": [
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"Mg"
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"volume": 130.34745411518446,
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"formula_full": "Li3 Mg3",
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},
{
"id": "mp-30535",
"created_at": "2022-09-04T14:40:24.248005Z",
"structure_string": "Li12 Be6 H24\n1.0\n-4.960078 0.000000 0.000000\n-0.012187 -6.614649 0.000000\n0.677392 1.862999 12.193658\nLi Be H\n12 6 24\ndirect\n0.414513 0.439354 0.153304 Li\n0.377055 0.014463 0.168672 Li\n0.426266 0.276942 0.366383 Li\n0.325951 0.748541 0.344371 Li\n0.396193 0.498347 0.789753 Li\n0.463788 0.066377 0.875400 Li\n0.633036 0.927188 0.669565 Li\n0.948304 0.482525 0.580517 Li\n0.942624 0.236202 0.195710 Li\n0.901741 0.709985 0.118721 Li\n0.897773 0.725822 0.853229 Li\n0.915136 0.308627 0.802406 Li\n0.799850 0.602329 0.316802 Be\n0.806827 0.940221 0.317970 Be\n0.899625 0.232217 0.412887 Be\n0.854618 0.775579 0.459229 Be\n0.057713 0.390815 0.982631 Be\n0.003524 0.040604 0.991356 Be\n0.035557 0.508959 0.729226 H\n0.289043 0.269693 0.232328 H\n0.189612 0.914972 0.924667 H\n0.239909 0.344235 0.893086 H\n0.445985 0.579545 0.621821 H\n0.423110 0.013977 0.532990 H\n0.921196 0.996329 0.430722 H\n0.029895 0.614766 0.406638 H\n0.445093 0.211013 0.054321 H\n0.510602 0.746986 0.075174 H\n0.883983 0.791311 0.574553 H\n0.149332 0.301612 0.467370 H\n0.023244 0.983098 0.103238 H\n0.177606 0.544575 0.064672 H\n0.695146 0.289824 0.488031 H\n0.622966 0.627930 0.412453 H\n0.826311 0.488390 0.930499 H\n0.750739 0.960305 0.945007 H\n0.560022 0.759915 0.771408 H\n0.595251 0.186956 0.749947 H\n0.317532 0.948624 0.554083 H\n0.439743 0.490944 0.574278 H\n0.580340 0.814440 0.038757 H\n0.603245 0.235465 0.055828 H\n",
"nsites": 42,
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"elements": [
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"Be",
"H"
],
"chemical_system": "Be-H-Li",
"density": 0.6705666246544597,
"density_atomic": 0.10498323968817663,
"volume": 400.0638590002486,
"volume_molar": 5.7362877902102145,
"formula_full": "Li12 Be6 H24",
"formula_reduced": "Li2BeH4",
"formula_anonymous": "AB2C4",
"energy": -132.9070207,
"energy_per_atom": -3.164452873809524,
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"updated_at": "2021-11-28T01:34:56.925000Z",
"spacegroup": 1
},
{
"id": "mp-1222840",
"created_at": "2022-09-04T14:40:32.933677Z",
"structure_string": "La2 Ge4 Pd2 Rh2\n1.0\n4.425050 0.000000 0.000000\n0.000000 4.425050 0.000000\n0.000000 0.000000 9.950375\nLa Ge Pd Rh\n2 4 2 2\ndirect\n0.000000 0.500000 0.255541 La\n0.500000 0.000000 0.744459 La\n0.000000 0.500000 0.867084 Ge\n0.500000 0.000000 0.132916 Ge\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.500000 Ge\n0.500000 0.500000 0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.621351 Rh\n0.500000 0.000000 0.378649 Rh\n",
"nsites": 10,
"nelements": 4,
"elements": [
"La",
"Ge",
"Pd",
"Rh"
],
"chemical_system": "Ge-La-Pd-Rh",
"density": 8.412016019204083,
"density_atomic": 0.05132443617264302,
"volume": 194.8389645501884,
"volume_molar": 11.733476700538848,
"formula_full": "La2 Ge4 Pd2 Rh2",
"formula_reduced": "LaGe2PdRh",
"formula_anonymous": "ABCD2",
"energy": -62.22762857,
"energy_per_atom": -6.222762857,
"energy_above_hull": null,
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"energy_uncorrected": -62.22762857,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:56.925000Z",
"spacegroup": 129
},
{
"id": "mp-568611",
"created_at": "2022-09-04T14:40:11.783265Z",
"structure_string": "K12 Cu12 P12 Se36\n1.0\n10.833894 0.000000 0.000000\n0.000000 8.867842 0.000000\n0.000000 1.046927 20.200680\nK Cu P Se\n12 12 12 36\ndirect\n0.703497 0.477768 0.508327 K\n0.491506 0.853325 0.897748 K\n0.203497 0.522232 0.991673 K\n0.508494 0.146675 0.102252 K\n0.991506 0.146675 0.602252 K\n0.008494 0.853325 0.397748 K\n0.796503 0.477768 0.008327 K\n0.174748 0.194353 0.793011 K\n0.296503 0.522232 0.491673 K\n0.325252 0.194353 0.293011 K\n0.674748 0.805647 0.706989 K\n0.825252 0.805647 0.206989 K\n0.992826 0.824472 0.863339 Cu\n0.641947 0.470188 0.274120 Cu\n0.358053 0.529812 0.725880 Cu\n0.706680 0.135269 0.392038 Cu\n0.492826 0.175528 0.636661 Cu\n0.007174 0.175528 0.136661 Cu\n0.293320 0.864731 0.607962 Cu\n0.206680 0.864731 0.107962 Cu\n0.858053 0.470188 0.774120 Cu\n0.141947 0.529812 0.225880 Cu\n0.507174 0.824472 0.363339 Cu\n0.793320 0.135269 0.892038 Cu\n0.943626 0.395301 0.356520 P\n0.556374 0.395301 0.856520 P\n0.056374 0.604699 0.643480 P\n0.406794 0.732007 0.237204 P\n0.443626 0.604699 0.143480 P\n0.580723 0.930851 0.521698 P\n0.093206 0.732007 0.737204 P\n0.593206 0.267993 0.762796 P\n0.906794 0.267993 0.262796 P\n0.419277 0.069149 0.478302 P\n0.080723 0.069149 0.978302 P\n0.919277 0.930851 0.021698 P\n0.802787 0.578664 0.348525 Se\n0.450675 0.563945 0.321128 Se\n0.314342 0.131183 0.568772 Se\n0.138343 0.471100 0.348502 Se\n0.535783 0.924829 0.242968 Se\n0.197213 0.421336 0.651475 Se\n0.035783 0.075171 0.257032 Se\n0.599946 0.228698 0.939219 Se\n0.292498 0.796043 0.727019 Se\n0.707502 0.203957 0.272981 Se\n0.302787 0.421336 0.151475 Se\n0.099946 0.771302 0.560781 Se\n0.950675 0.436055 0.178872 Se\n0.400054 0.771302 0.060781 Se\n0.319515 0.916763 0.413446 Se\n0.964217 0.924829 0.742968 Se\n0.361657 0.471100 0.848502 Se\n0.207502 0.796043 0.227019 Se\n0.680485 0.083237 0.586554 Se\n0.464217 0.075171 0.757032 Se\n0.185658 0.131183 0.068772 Se\n0.990890 0.262271 0.923390 Se\n0.638343 0.528900 0.151498 Se\n0.180485 0.916763 0.913446 Se\n0.049325 0.563945 0.821128 Se\n0.900054 0.228698 0.439219 Se\n0.509110 0.262271 0.423390 Se\n0.819515 0.083237 0.086554 Se\n0.792498 0.203957 0.772981 Se\n0.009110 0.737729 0.076610 Se\n0.685658 0.868817 0.431228 Se\n0.861657 0.528900 0.651498 Se\n0.814342 0.868817 0.931228 Se\n0.549325 0.436055 0.678872 Se\n0.490890 0.737729 0.576610 Se\n0.697213 0.578664 0.848525 Se\n",
"nsites": 72,
"nelements": 4,
"elements": [
"K",
"Cu",
"P",
"Se"
],
"chemical_system": "Cu-K-P-Se",
"density": 3.8040635749527003,
"density_atomic": 0.03709915165430047,
"volume": 1940.7451865992705,
"volume_molar": 16.232556518046213,
"formula_full": "K12 Cu12 P12 Se36",
"formula_reduced": "KCuPSe3",
"formula_anonymous": "ABCD3",
"energy": -305.48570732,
"energy_per_atom": -4.242857046111111,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:56.923000Z",
"spacegroup": 14
},
{
"id": "mp-1203735",
"created_at": "2022-09-04T14:40:26.019698Z",
"structure_string": "Sm12 Sb16 Se36\n1.0\n16.689043 0.000000 0.000000\n0.000000 4.027325 0.000000\n0.000000 0.000000 25.309806\nSm Sb Se\n12 16 36\ndirect\n0.126146 0.250000 0.441999 Sm\n0.626146 0.250000 0.058001 Sm\n0.873854 0.750000 0.558001 Sm\n0.373854 0.750000 0.941999 Sm\n0.328439 0.250000 0.321068 Sm\n0.828439 0.250000 0.178932 Sm\n0.671561 0.750000 0.678932 Sm\n0.171561 0.750000 0.821068 Sm\n0.044370 0.250000 0.268943 Sm\n0.544370 0.250000 0.231057 Sm\n0.955630 0.750000 0.731057 Sm\n0.455630 0.750000 0.768943 Sm\n0.142960 0.250000 0.997920 Sb\n0.642960 0.250000 0.502080 Sb\n0.857040 0.750000 0.002080 Sb\n0.357040 0.750000 0.497920 Sb\n0.456666 0.250000 0.581307 Sb\n0.956666 0.250000 0.918693 Sb\n0.543334 0.750000 0.418693 Sb\n0.043334 0.750000 0.081307 Sb\n0.106779 0.250000 0.605908 Sb\n0.606779 0.250000 0.894092 Sb\n0.893221 0.750000 0.394092 Sb\n0.393221 0.750000 0.105908 Sb\n0.268520 0.250000 0.673211 Sb\n0.768520 0.250000 0.826789 Sb\n0.731480 0.750000 0.326789 Sb\n0.231480 0.750000 0.173211 Sb\n0.250124 0.250000 0.901097 Se\n0.750124 0.250000 0.598903 Se\n0.749876 0.750000 0.098903 Se\n0.249876 0.750000 0.401097 Se\n0.448467 0.250000 0.864031 Se\n0.948467 0.250000 0.635969 Se\n0.551533 0.750000 0.135969 Se\n0.051533 0.750000 0.364031 Se\n0.045654 0.250000 0.793078 Se\n0.545654 0.250000 0.706922 Se\n0.954346 0.750000 0.206922 Se\n0.454346 0.750000 0.293078 Se\n0.294890 0.250000 0.776660 Se\n0.794890 0.250000 0.723340 Se\n0.705110 0.750000 0.223340 Se\n0.205110 0.750000 0.276660 Se\n0.430769 0.250000 0.421952 Se\n0.930769 0.250000 0.078048 Se\n0.569231 0.750000 0.578048 Se\n0.069231 0.750000 0.921952 Se\n0.440009 0.250000 0.031045 Se\n0.940009 0.250000 0.468955 Se\n0.559991 0.750000 0.968955 Se\n0.059991 0.750000 0.531045 Se\n0.251061 0.250000 0.527372 Se\n0.751061 0.250000 0.972628 Se\n0.748939 0.750000 0.472628 Se\n0.248939 0.750000 0.027372 Se\n0.374493 0.250000 0.189741 Se\n0.874493 0.250000 0.310259 Se\n0.625507 0.750000 0.810259 Se\n0.125507 0.750000 0.689741 Se\n0.124162 0.250000 0.160485 Se\n0.624162 0.250000 0.339515 Se\n0.875838 0.750000 0.839515 Se\n0.375838 0.750000 0.660485 Se\n",
"nsites": 64,
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"elements": [
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"Sb",
"Se"
],
"chemical_system": "Sb-Se-Sm",
"density": 6.437683234335383,
"density_atomic": 0.03762210108819462,
"volume": 1701.127745363548,
"volume_molar": 16.00692302081363,
"formula_full": "Sm12 Sb16 Se36",
"formula_reduced": "Sm3Sb4Se9",
"formula_anonymous": "A3B4C9",
"energy": -321.64283411,
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"updated_at": "2021-11-28T01:34:56.923000Z",
"spacegroup": 62
},
{
"id": "mp-1078699",
"created_at": "2022-09-04T14:40:31.095665Z",
"structure_string": "Nb2 Pt6\n1.0\n4.630361 0.000000 0.000000\n0.000000 4.949054 0.000000\n0.000000 0.000000 5.607512\nNb Pt\n2 6\ndirect\n0.500000 0.656413 0.500000 Nb\n0.000000 0.343587 0.000000 Nb\n0.500000 0.164871 0.750478 Pt\n0.500000 0.164871 0.249522 Pt\n0.000000 0.835129 0.749522 Pt\n0.000000 0.835129 0.250478 Pt\n0.000000 0.341244 0.500000 Pt\n0.500000 0.658756 0.000000 Pt\n",
"nsites": 8,
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"elements": [
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],
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"density": 17.526813690552746,
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"volume": 128.50122141015964,
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"formula_full": "Nb2 Pt6",
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"formula_anonymous": "AB3",
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"total_magnetization": 2.2e-05,
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"updated_at": "2021-11-28T01:34:56.922000Z",
"spacegroup": 59
},
{
"id": "mp-25831",
"created_at": "2022-09-04T14:40:14.012769Z",
"structure_string": "Li2 Mn2 P2 O8\n1.0\n4.628585 0.000000 0.000000\n-1.320658 5.142043 0.000000\n-1.866401 -0.507547 7.360895\nLi Mn P O\n2 2 2 8\ndirect\n0.725961 0.717463 0.986749 Li\n0.274039 0.282537 0.013251 Li\n0.054393 0.238168 0.394344 Mn\n0.945607 0.761832 0.605656 Mn\n0.647014 0.193810 0.743201 P\n0.352986 0.806190 0.256799 P\n0.840470 0.377110 0.629455 O\n0.686820 0.914375 0.381140 O\n0.159530 0.622890 0.370545 O\n0.313180 0.085625 0.618860 O\n0.204982 0.038024 0.202503 O\n0.637761 0.343091 0.913642 O\n0.362239 0.656909 0.086358 O\n0.795018 0.961976 0.797497 O\n",
"nsites": 14,
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"elements": [
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"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.9733783348167586,
"density_atomic": 0.07991226959221231,
"volume": 175.19212095265456,
"volume_molar": 7.535940088713079,
"formula_full": "Li2 Mn2 P2 O8",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy": -108.70829918,
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"updated_at": "2021-11-28T01:34:56.921000Z",
"spacegroup": 2
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{
"id": "mp-675307",
"created_at": "2022-09-04T14:40:14.046754Z",
"structure_string": "Fe10 Ni14 S32\n1.0\n6.646950 0.000000 0.000000\n3.298561 5.849245 0.000000\n3.184023 1.691490 21.665276\nFe Ni S\n10 14 32\ndirect\n0.843388 0.846609 0.967417 Fe\n0.374897 0.374841 0.874659 Fe\n0.251616 0.246916 0.747199 Fe\n0.125700 0.125304 0.625540 Fe\n0.998049 0.001088 0.501473 Fe\n0.623952 0.125294 0.625276 Fe\n0.874645 0.874955 0.374766 Fe\n0.752504 0.749243 0.248614 Fe\n0.630134 0.625844 0.126279 Fe\n0.117658 0.625926 0.126337 Fe\n0.500727 0.499759 0.000121 Ni\n0.595003 0.593851 0.719323 Ni\n0.875365 0.374925 0.875011 Ni\n0.342485 0.347395 0.467749 Ni\n0.374924 0.875696 0.874798 Ni\n0.907488 0.902696 0.782119 Ni\n0.095435 0.093790 0.219399 Ni\n0.124882 0.625096 0.624967 Ni\n0.655003 0.655562 0.530843 Ni\n0.374874 0.875130 0.374983 Ni\n0.875089 0.374826 0.375009 Ni\n0.407546 0.403096 0.282028 Ni\n0.624335 0.126512 0.124911 Ni\n0.155843 0.153403 0.031628 Ni\n0.681889 0.682839 0.936570 S\n0.558087 0.557884 0.819400 S\n0.200598 0.676199 0.935328 S\n0.675762 0.200913 0.935435 S\n0.430196 0.425392 0.685777 S\n0.079064 0.536515 0.813392 S\n0.537930 0.078392 0.813448 S\n0.311672 0.307255 0.568359 S\n0.191868 0.191050 0.930848 S\n0.958427 0.426670 0.685602 S\n0.431651 0.953215 0.685362 S\n0.074651 0.074283 0.812742 S\n0.175411 0.175816 0.436730 S\n0.819926 0.294119 0.564728 S\n0.290053 0.824885 0.564361 S\n0.938120 0.943038 0.681620 S\n0.057833 0.057804 0.318941 S\n0.710426 0.173485 0.436046 S\n0.172684 0.711740 0.436229 S\n0.819674 0.825358 0.564103 S\n0.928802 0.926866 0.185803 S\n0.576166 0.039685 0.313844 S\n0.040586 0.575540 0.313994 S\n0.459840 0.927042 0.185578 S\n0.692140 0.691942 0.431089 S\n0.813021 0.807143 0.066100 S\n0.930907 0.453607 0.186255 S\n0.574485 0.574036 0.313295 S\n0.321619 0.789917 0.066282 S\n0.791245 0.325948 0.065676 S\n0.436553 0.446949 0.181366 S\n0.317174 0.326717 0.065245 S\n",
"nsites": 56,
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"elements": [
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"S"
],
"chemical_system": "Fe-Ni-S",
"density": 4.743524585692669,
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