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{
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"structure_string": "Fe16 Si16 N32\n1.0\n5.111820 0.000000 0.000000\n0.000000 10.193107 0.000000\n0.000000 0.000000 13.150975\nFe Si N\n16 16 32\ndirect\n0.689556 0.962727 0.434391 Fe\n0.189556 0.537273 0.565609 Fe\n0.310444 0.462727 0.065609 Fe\n0.810444 0.037273 0.934391 Fe\n0.310444 0.037273 0.565609 Fe\n0.810444 0.462727 0.434391 Fe\n0.689556 0.537273 0.934391 Fe\n0.189556 0.962727 0.065609 Fe\n0.790219 0.280097 0.312378 Fe\n0.290218 0.219903 0.687622 Fe\n0.209782 0.780097 0.187622 Fe\n0.709781 0.719903 0.812378 Fe\n0.209782 0.719903 0.687622 Fe\n0.709781 0.780097 0.312378 Fe\n0.790219 0.219903 0.812378 Fe\n0.290218 0.280097 0.187622 Fe\n0.661041 0.037808 0.186308 Si\n0.161041 0.462192 0.813692 Si\n0.338959 0.537808 0.313692 Si\n0.838959 0.962192 0.686308 Si\n0.338959 0.962192 0.813692 Si\n0.838959 0.537808 0.186308 Si\n0.661041 0.462192 0.686308 Si\n0.161041 0.037808 0.313692 Si\n0.786848 0.289109 0.061558 Si\n0.286848 0.210891 0.938442 Si\n0.213152 0.789109 0.438442 Si\n0.713152 0.710891 0.561558 Si\n0.213152 0.710891 0.938442 Si\n0.713152 0.789109 0.061558 Si\n0.786848 0.210891 0.561558 Si\n0.286848 0.289109 0.438442 Si\n0.664852 0.491513 0.294968 N\n0.164852 0.008487 0.705032 N\n0.335148 0.991513 0.205032 N\n0.835148 0.508487 0.794968 N\n0.335148 0.508487 0.705032 N\n0.835148 0.991513 0.294968 N\n0.664852 0.008487 0.794968 N\n0.164852 0.491513 0.205032 N\n0.626539 0.270621 0.453564 N\n0.126539 0.229379 0.546436 N\n0.373461 0.770621 0.046436 N\n0.873461 0.729379 0.953564 N\n0.373461 0.729379 0.546436 N\n0.873461 0.770621 0.453564 N\n0.626539 0.229379 0.953564 N\n0.126539 0.270621 0.046436 N\n0.719452 0.456897 0.078183 N\n0.219452 0.043103 0.921817 N\n0.280548 0.956897 0.421817 N\n0.780548 0.543103 0.578183 N\n0.280548 0.543103 0.921817 N\n0.780548 0.956897 0.078183 N\n0.719452 0.043103 0.578183 N\n0.219452 0.456897 0.421817 N\n0.673935 0.208641 0.170931 N\n0.173935 0.291359 0.829069 N\n0.326065 0.708641 0.329069 N\n0.826065 0.791359 0.670931 N\n0.326065 0.791359 0.829069 N\n0.826065 0.708641 0.170931 N\n0.673935 0.291359 0.670931 N\n0.173935 0.208641 0.329069 N\n",
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"formula_full": "Fe16 Si16 N32",
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{
"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",
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],
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"formula_full": "Ca8 Al8 Fe24 O56",
"formula_reduced": "CaAlFe3O7",
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"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",
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"density": 7.028081883140392,
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"formula_full": "La2 Ag1 Sn1",
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"updated_at": "2021-11-28T01:36:08.668000Z",
"spacegroup": 225
},
{
"id": "mp-568983",
"created_at": "2022-09-04T14:43:36.750990Z",
"structure_string": "Mn1 Sb1 Rh1\n1.0\n0.000000 3.014747 3.014747\n3.014747 0.000000 3.014747\n3.014747 3.014747 0.000000\nMn Sb Rh\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Rh\n",
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],
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{
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"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",
"created_at": "2022-09-04T14:43:22.507470Z",
"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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{
"id": "mp-773108",
"created_at": "2022-09-04T14:43:22.509035Z",
"structure_string": "Li10 V6 P16 O58\n1.0\n9.770686 0.000000 0.000000\n-4.847649 8.495775 0.000000\n-0.030726 -0.080307 14.016617\nLi V P O\n10 6 16 58\ndirect\n0.676563 0.907966 0.562638 Li\n0.347552 0.668672 0.887010 Li\n0.089482 0.324853 0.059542 Li\n0.230136 0.912834 0.060761 Li\n0.916712 0.223517 0.440908 Li\n0.093053 0.772487 0.560517 Li\n0.893787 0.661738 0.941707 Li\n0.771015 0.677576 0.438648 Li\n0.319336 0.092724 0.444890 Li\n0.953123 0.002360 0.990343 Li\n0.000141 0.430794 0.251788 V\n0.998249 0.566696 0.746276 V\n0.570730 0.003917 0.757520 V\n0.436797 0.001858 0.247458 V\n0.561660 0.566100 0.243366 V\n0.430954 0.425099 0.748384 V\n0.691106 0.777041 0.841551 P\n0.680758 0.911096 0.341152 P\n0.234040 0.316897 0.345323 P\n0.328186 0.663501 0.126055 P\n0.339111 0.670374 0.629991 P\n0.092665 0.316446 0.841354 P\n0.911830 0.228449 0.658243 P\n0.223714 0.906693 0.843834 P\n0.777383 0.084084 0.156929 P\n0.091269 0.769716 0.341192 P\n0.911149 0.683175 0.159475 P\n0.666758 0.336392 0.368938 P\n0.668081 0.338801 0.872890 P\n0.764969 0.681959 0.655059 P\n0.317411 0.084036 0.661092 P\n0.307020 0.225437 0.157437 P\n0.751402 0.754804 0.563885 O\n0.661824 0.744136 0.338291 O\n0.802407 0.005879 0.074186 O\n0.658759 0.915658 0.842949 O\n0.530312 0.622434 0.834615 O\n0.480480 0.669065 0.172606 O\n0.383755 0.477214 0.322024 O\n0.210979 0.219963 0.073642 O\n0.262661 0.341446 0.833049 O\n0.488511 0.819407 0.672202 O\n0.519661 0.900035 0.320053 O\n0.340826 0.525885 0.680395 O\n0.333566 0.659499 0.019324 O\n0.344000 0.666000 0.524245 O\n0.185414 0.509295 0.163516 O\n0.371696 0.888198 0.830833 O\n0.320944 0.810381 0.162917 O\n0.086412 0.337073 0.343259 O\n0.002711 0.210269 0.749638 O\n0.994389 0.241775 0.567703 O\n0.016246 0.229354 0.930650 O\n0.106729 0.480234 0.830283 O\n0.187023 0.673299 0.666365 O\n0.917128 0.257705 0.165267 O\n0.102835 0.620156 0.321110 O\n0.256223 0.917818 0.341404 O\n0.795674 0.005114 0.255189 O\n0.753209 0.996148 0.433021 O\n0.236369 0.997500 0.571357 O\n0.746470 0.082162 0.663180 O\n0.901515 0.379948 0.681059 O\n0.076618 0.738384 0.836181 O\n0.815287 0.328666 0.332250 O\n0.907742 0.526865 0.171818 O\n0.993152 0.771408 0.070561 O\n0.000547 0.754712 0.430685 O\n0.001217 0.792942 0.251192 O\n0.915384 0.666241 0.656350 O\n0.668236 0.189749 0.830682 O\n0.619203 0.081292 0.165587 O\n0.814984 0.489231 0.833568 O\n0.658866 0.344376 0.978009 O\n0.665739 0.345397 0.475028 O\n0.669152 0.485786 0.322997 O\n0.475919 0.092200 0.677272 O\n0.515621 0.186585 0.328426 O\n0.741604 0.658935 0.165986 O\n0.783788 0.796746 0.741643 O\n0.800037 0.789982 0.920646 O\n0.618144 0.522633 0.676399 O\n0.520224 0.336400 0.822096 O\n0.467187 0.382466 0.170285 O\n0.339433 0.085207 0.159442 O\n0.217385 0.983933 0.933864 O\n0.206904 0.995891 0.751770 O\n0.338774 0.252469 0.664501 O\n0.247480 0.237357 0.431259 O\n0.209596 0.206750 0.252851 O\n",
"nsites": 90,
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"formula_full": "Li10 V6 P16 O58",
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}