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{
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"results": [
{
"id": "mp-1228156",
"created_at": "2022-09-04T14:43:22.477451Z",
"structure_string": "Ba2 Al5 Ag5\n1.0\n4.404568 -5.566506 0.000000\n4.404568 5.566506 0.000000\n0.000000 0.000000 5.578130\nBa Al Ag\n2 5 5\ndirect\n0.832495 0.832495 0.000000 Ba\n0.175556 0.175556 0.500000 Ba\n0.290440 0.700906 0.250113 Al\n0.290440 0.700906 0.749887 Al\n0.700906 0.290440 0.250113 Al\n0.700906 0.290440 0.749887 Al\n0.577047 0.577047 0.500000 Al\n0.420189 0.024058 0.000000 Ag\n0.963705 0.582379 0.500000 Ag\n0.582379 0.963705 0.500000 Ag\n0.024058 0.420189 0.000000 Ag\n0.441878 0.441878 0.000000 Ag\n",
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{
"id": "mp-1212296",
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"structure_string": "Ho6 Fe4 Si6\n1.0\n2.034006 -5.249524 0.000000\n2.034006 5.249524 0.000000\n0.000000 0.000000 13.561993\nHo Fe Si\n6 4 6\ndirect\n0.638290 0.361710 0.250000 Ho\n0.361710 0.638290 0.750000 Ho\n0.921497 0.078503 0.112929 Ho\n0.078503 0.921497 0.887071 Ho\n0.078503 0.921497 0.612929 Ho\n0.921497 0.078503 0.387071 Ho\n0.785151 0.214849 0.580270 Fe\n0.214849 0.785151 0.419730 Fe\n0.214849 0.785151 0.080270 Fe\n0.785151 0.214849 0.919730 Fe\n0.327241 0.672759 0.250000 Si\n0.672759 0.327241 0.750000 Si\n0.623999 0.376001 0.038829 Si\n0.376001 0.623999 0.961171 Si\n0.376001 0.623999 0.538829 Si\n0.623999 0.376001 0.461171 Si\n",
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"elements": [
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],
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"formula_full": "Ho6 Fe4 Si6",
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"spacegroup": 63
},
{
"id": "mp-1186928",
"created_at": "2022-09-04T14:43:22.486282Z",
"structure_string": "Sb1 Pd3\n1.0\n4.062220 0.000000 0.000000\n0.000000 4.062220 0.000000\n0.000000 0.000000 4.062220\nSb Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n",
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"elements": [
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],
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"density": 10.924889733086399,
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"volume": 67.03325681485305,
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"formula_full": "Sb1 Pd3",
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"updated_at": "2021-11-28T01:36:20.143000Z",
"spacegroup": 221
},
{
"id": "mp-1214299",
"created_at": "2022-09-04T14:43:22.493905Z",
"structure_string": "Ca8 Al8 Fe24 O56\n1.0\n10.524169 0.000000 0.000000\n-3.728188 10.042145 0.000000\n-4.335689 -2.520582 10.877602\nCa Al Fe O\n8 8 24 56\ndirect\n0.045498 0.400500 0.084576 Ca\n0.954502 0.599500 0.915424 Ca\n0.594095 0.153456 0.169701 Ca\n0.405905 0.846544 0.830299 Ca\n0.027546 0.887357 0.079238 Ca\n0.972454 0.112643 0.920762 Ca\n0.578916 0.681387 0.167140 Ca\n0.421084 0.318613 0.832860 Ca\n0.252164 0.024697 0.924082 Al\n0.747836 0.975303 0.075918 Al\n0.329733 0.808757 0.073402 Al\n0.670267 0.191243 0.926598 Al\n0.741208 0.480490 0.082018 Al\n0.258792 0.519510 0.917982 Al\n0.339873 0.316782 0.086414 Al\n0.660127 0.683218 0.913586 Al\n0.673401 0.462026 0.346149 Fe\n0.326599 0.537974 0.653851 Fe\n0.123191 0.679235 0.227575 Fe\n0.876809 0.320765 0.772425 Fe\n0.873051 0.020893 0.365092 Fe\n0.126949 0.979107 0.634908 Fe\n0.508506 0.089487 0.636676 Fe\n0.491494 0.910513 0.363324 Fe\n0.997194 0.406929 0.369629 Fe\n0.002806 0.593071 0.630371 Fe\n0.069570 0.287402 0.644816 Fe\n0.930430 0.712598 0.355184 Fe\n0.423705 0.214209 0.352915 Fe\n0.576295 0.785791 0.647085 Fe\n0.104492 0.186573 0.227994 Fe\n0.895508 0.813427 0.772006 Fe\n0.257032 0.255693 0.513088 Fe\n0.742968 0.744307 0.486912 Fe\n0.813080 0.031400 0.628432 Fe\n0.186920 0.968600 0.371568 Fe\n0.743228 0.249252 0.487063 Fe\n0.256772 0.750748 0.512937 Fe\n0.373030 0.528749 0.370433 Fe\n0.626970 0.471251 0.629567 Fe\n0.375256 0.476036 0.044958 O\n0.624744 0.523964 0.955042 O\n0.170487 0.263365 0.103285 O\n0.829513 0.736635 0.896715 O\n0.239759 0.567639 0.245070 O\n0.760241 0.432361 0.754930 O\n0.187987 0.173817 0.638078 O\n0.812013 0.826183 0.361922 O\n0.308074 0.330998 0.374042 O\n0.691926 0.669002 0.625958 O\n0.792642 0.341436 0.358210 O\n0.207358 0.658564 0.641790 O\n0.620690 0.366907 0.481039 O\n0.379310 0.633093 0.518961 O\n0.698965 0.156609 0.624464 O\n0.301035 0.843391 0.375536 O\n0.139710 0.376636 0.518282 O\n0.860290 0.623364 0.481718 O\n0.743918 0.031193 0.217473 O\n0.256082 0.968807 0.782527 O\n0.316867 0.203392 0.959613 O\n0.683133 0.796608 0.040387 O\n0.065254 0.606174 0.373747 O\n0.934746 0.393826 0.626253 O\n0.369564 0.131912 0.500293 O\n0.630436 0.868088 0.499707 O\n0.549876 0.104205 0.359445 O\n0.450124 0.895795 0.640555 O\n0.071987 0.457172 0.901705 O\n0.928013 0.542828 0.098295 O\n0.482105 0.309252 0.225265 O\n0.517895 0.690748 0.774735 O\n0.370514 0.970222 0.036010 O\n0.629486 0.029778 0.963990 O\n0.868383 0.132106 0.499676 O\n0.131617 0.867894 0.500324 O\n0.932110 0.045216 0.090244 O\n0.067890 0.954784 0.909756 O\n0.230108 0.067738 0.246378 O\n0.769892 0.932262 0.753622 O\n0.000999 0.305836 0.241721 O\n0.999001 0.694164 0.758279 O\n0.434679 0.412483 0.641185 O\n0.565321 0.587517 0.358815 O\n0.017075 0.805184 0.249049 O\n0.982925 0.194816 0.750951 O\n0.074735 0.095035 0.375035 O\n0.925265 0.904965 0.624965 O\n0.257997 0.445053 0.775682 O\n0.742003 0.554947 0.224318 O\n0.661713 0.298966 0.041859 O\n0.338287 0.701034 0.958141 O\n0.530362 0.180443 0.783263 O\n0.469638 0.819557 0.216737 O\n0.160090 0.752601 0.089704 O\n0.839910 0.247399 0.910296 O\n",
"nsites": 96,
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"elements": [
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"Al",
"Fe",
"O"
],
"chemical_system": "Al-Ca-Fe-O",
"density": 4.005051186903918,
"density_atomic": 0.08350717023781043,
"volume": 1149.6018812110706,
"volume_molar": 7.21152536105611,
"formula_full": "Ca8 Al8 Fe24 O56",
"formula_reduced": "CaAlFe3O7",
"formula_anonymous": "ABC3D7",
"energy": -749.31233175,
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"updated_at": "2021-11-28T01:36:21.198000Z",
"spacegroup": 2
},
{
"id": "mp-867801",
"created_at": "2022-09-04T14:43:22.498809Z",
"structure_string": "La2 Ag1 Sn1\n1.0\n0.000000 3.905854 3.905854\n3.905854 0.000000 3.905854\n3.905854 3.905854 0.000000\nLa Ag Sn\n2 1 1\ndirect\n0.750000 0.750000 0.750000 La\n0.250000 0.250000 0.250000 La\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ag-La-Sn",
"density": 7.028081883140392,
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"volume": 119.17303834321956,
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"formula_full": "La2 Ag1 Sn1",
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"energy": -18.87820626,
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"updated_at": "2021-11-28T01:36:08.668000Z",
"spacegroup": 225
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{
"id": "mp-555825",
"created_at": "2022-09-04T14:43:22.499370Z",
"structure_string": "Na16 Sc8 Si16 O52\n1.0\n5.355489 0.000000 0.000000\n0.000000 14.365990 0.000000\n0.000000 0.000000 14.591535\nNa Sc Si O\n16 8 16 52\ndirect\n0.807229 0.948853 0.211542 Na\n0.176197 0.422341 0.914978 Na\n0.780107 0.301702 0.835242 Na\n0.219893 0.698298 0.335242 Na\n0.826051 0.670483 0.622179 Na\n0.692771 0.448853 0.211542 Na\n0.173949 0.329517 0.122179 Na\n0.307229 0.551147 0.711542 Na\n0.676197 0.077659 0.414978 Na\n0.323803 0.922341 0.914978 Na\n0.823803 0.577659 0.414978 Na\n0.280107 0.198298 0.335242 Na\n0.719893 0.801702 0.835242 Na\n0.192771 0.051147 0.711542 Na\n0.673949 0.170483 0.622179 Na\n0.326051 0.829517 0.122179 Na\n0.690019 0.330232 0.420573 Sc\n0.809981 0.830232 0.420573 Sc\n0.349878 0.079259 0.127149 Sc\n0.190019 0.169768 0.920573 Sc\n0.150122 0.579259 0.127149 Sc\n0.650122 0.920741 0.627149 Sc\n0.849878 0.420741 0.627149 Sc\n0.309981 0.669768 0.920573 Sc\n0.350674 0.522513 0.500058 Si\n0.298910 0.941534 0.320024 Si\n0.327253 0.726851 0.545867 Si\n0.701090 0.058466 0.820024 Si\n0.149326 0.022513 0.500058 Si\n0.649326 0.477487 0.000058 Si\n0.672747 0.273149 0.045867 Si\n0.172747 0.226851 0.545867 Si\n0.825373 0.193606 0.227785 Si\n0.827253 0.773149 0.045867 Si\n0.201090 0.441534 0.320024 Si\n0.674627 0.693606 0.227785 Si\n0.798910 0.558466 0.820024 Si\n0.174627 0.806394 0.727785 Si\n0.325373 0.306394 0.727785 Si\n0.850674 0.977487 0.000058 Si\n0.887068 0.144862 0.841142 O\n0.481440 0.626575 0.524189 O\n0.567558 0.771012 0.989071 O\n0.792456 0.967498 0.887317 O\n0.683175 0.724372 0.336099 O\n0.316825 0.275628 0.836099 O\n0.207544 0.032502 0.387317 O\n0.707544 0.467498 0.887317 O\n0.110861 0.173488 0.193929 O\n0.633586 0.106971 0.216539 O\n0.755275 0.531367 0.711942 O\n0.962572 0.308104 0.530734 O\n0.432442 0.228988 0.489071 O\n0.932442 0.271012 0.989071 O\n0.591336 0.925384 0.347055 O\n0.074517 0.053502 0.015550 O\n0.925483 0.946498 0.515550 O\n0.091336 0.574616 0.847055 O\n0.729200 0.282573 0.159000 O\n0.067558 0.728988 0.489071 O\n0.389139 0.673488 0.193929 O\n0.462572 0.191896 0.030734 O\n0.574517 0.446498 0.515550 O\n0.244725 0.468633 0.211942 O\n0.596175 0.985248 0.058134 O\n0.018560 0.126575 0.524189 O\n0.889139 0.826512 0.693929 O\n0.425483 0.553502 0.015550 O\n0.903825 0.485248 0.058134 O\n0.112932 0.855138 0.341142 O\n0.366414 0.893029 0.716539 O\n0.408664 0.074616 0.847055 O\n0.270800 0.717427 0.659000 O\n0.908664 0.425384 0.347055 O\n0.096175 0.514752 0.558134 O\n0.610861 0.326512 0.693929 O\n0.744725 0.031367 0.711942 O\n0.183175 0.775628 0.836099 O\n0.770800 0.782573 0.159000 O\n0.229200 0.217427 0.659000 O\n0.387068 0.355138 0.341142 O\n0.255275 0.968633 0.211942 O\n0.816825 0.224372 0.336099 O\n0.866414 0.606971 0.216539 O\n0.981440 0.873425 0.024189 O\n0.133586 0.393029 0.716539 O\n0.537428 0.808104 0.530734 O\n0.037428 0.691896 0.030734 O\n0.403825 0.014752 0.558134 O\n0.612932 0.644862 0.841142 O\n0.518560 0.373425 0.024189 O\n0.292456 0.532502 0.387317 O\n",
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"volume": 1122.6274898484933,
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"formula_full": "Na16 Sc8 Si16 O52",
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"spacegroup": 33
},
{
"id": "mp-1228913",
"created_at": "2022-09-04T14:43:51.665059Z",
"structure_string": "Al2 Co1 Ni1\n1.0\n2.865951 0.000000 0.000000\n0.000000 2.865951 0.000000\n0.000000 0.000000 5.783699\nAl Co Ni\n2 1 1\ndirect\n0.000000 0.000000 0.753492 Al\n0.000000 0.000000 0.246508 Al\n0.500000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 Ni\n",
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{
"id": "mp-770835",
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"structure_string": "Na3 Li3 Mn2 P2 C2 O14\n1.0\n5.105161 0.000000 0.000000\n-0.039487 6.635437 0.000000\n-0.049013 -0.115070 8.813588\nNa Li Mn P C O\n3 3 2 2 2 14\ndirect\n0.241146 0.256732 0.082813 Na\n0.753255 0.000791 0.254881 Na\n0.758500 0.747208 0.915663 Na\n0.766479 0.485632 0.268657 Li\n0.233805 0.512721 0.733347 Li\n0.232548 0.988193 0.732933 Li\n0.222011 0.746573 0.361587 Mn\n0.778475 0.249067 0.641131 Mn\n0.301020 0.253950 0.415269 P\n0.703221 0.744852 0.589113 P\n0.263520 0.747701 0.052027 C\n0.733469 0.257092 0.944861 C\n0.713987 0.271151 0.091446 O\n0.036227 0.749096 0.117787 O\n0.473426 0.743889 0.136264 O\n0.217391 0.061681 0.324805 O\n0.187965 0.432411 0.324039 O\n0.606870 0.269318 0.419198 O\n0.799360 0.734340 0.422403 O\n0.202312 0.251843 0.582417 O\n0.395318 0.747932 0.587570 O\n0.802275 0.563969 0.682940 O\n0.809847 0.934528 0.674751 O\n0.524322 0.248386 0.859000 O\n0.963037 0.251016 0.881012 O\n0.280213 0.749934 0.904087 O\n",
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"formula_full": "Na3 Li3 Mn2 P2 C2 O14",
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