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{
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{
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"created_at": "2022-09-04T14:40:16.004149Z",
"structure_string": "Mg4 Fe4 O10\n1.0\n-2.660135 2.708557 6.879473\n2.660135 -2.708557 6.879473\n2.660135 2.708557 -6.879473\nMg Fe O\n4 4 10\ndirect\n0.340729 0.893142 0.469206 Mg\n0.576064 0.106858 0.447586 Mg\n0.840729 0.371523 0.447586 Mg\n0.076064 0.628477 0.469206 Mg\n0.013039 0.000000 0.013039 Fe\n0.513039 0.500000 0.013039 Fe\n0.693164 0.716738 0.909902 Fe\n0.193164 0.283262 0.976426 Fe\n0.311963 0.298558 0.526066 O\n0.227508 0.701442 0.013406 O\n0.811963 0.285897 0.013406 O\n0.727508 0.714103 0.526066 O\n0.940535 0.994582 0.220751 O\n0.226169 0.005418 0.945953 O\n0.440535 0.219784 0.945953 O\n0.726169 0.780216 0.220751 O\n0.334829 0.622638 0.457468 O\n0.834829 0.377362 0.712191 O\n",
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"formula_full": "Mg4 Fe4 O10",
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{
"id": "mp-1246560",
"created_at": "2022-09-04T14:40:16.006632Z",
"structure_string": "La3 Mg2 V1 S8\n1.0\n6.994141 -0.007967 4.025801\n2.327107 6.416145 4.019941\n-0.006001 -0.011601 8.062036\nLa Mg V S\n3 2 1 8\ndirect\n0.500052 0.500063 0.499973 La\n0.500025 0.499954 0.999997 La\n0.999959 0.500034 0.500019 La\n0.874780 0.877020 0.873832 Mg\n0.125216 0.122975 0.126167 Mg\n0.499995 0.999996 0.500010 V\n0.727087 0.779792 0.727204 S\n0.273356 0.219636 0.734046 S\n0.250682 0.745810 0.251545 S\n0.735780 0.221879 0.271336 S\n0.749294 0.254168 0.748450 S\n0.264206 0.778119 0.728663 S\n0.272904 0.220187 0.272816 S\n0.726666 0.780362 0.265944 S\n",
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"formula_full": "La3 Mg2 V1 S8",
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{
"id": "mp-1335753",
"created_at": "2022-09-04T14:40:16.009058Z",
"structure_string": "Sr4 Co2 Cu4 O14\n1.0\n-2.569781 2.585921 12.318716\n2.569781 -2.585921 12.318716\n2.569781 2.585921 -12.318716\nSr Co Cu O\n4 2 4 14\ndirect\n0.646317 0.626914 0.977361 Sr\n0.353683 0.331044 0.980597 Sr\n0.149553 0.126914 0.980597 Sr\n0.850447 0.831044 0.977361 Sr\n0.184221 0.771933 0.456154 Co\n0.815779 0.271933 0.587712 Co\n0.559662 0.037796 0.480617 Cu\n0.440338 0.920955 0.478134 Cu\n0.057178 0.537796 0.478134 Cu\n0.942822 0.420955 0.480617 Cu\n0.845288 0.639061 0.984349 O\n0.154712 0.139061 0.793773 O\n0.325969 0.304996 0.481331 O\n0.674031 0.155362 0.979027 O\n0.323666 0.804996 0.979027 O\n0.676334 0.655362 0.481331 O\n0.825374 0.804174 0.478988 O\n0.174626 0.653614 0.978800 O\n0.825186 0.304174 0.978800 O\n0.174814 0.153614 0.478988 O\n0.190089 0.658053 0.485343 O\n0.809911 0.295253 0.467964 O\n0.672711 0.158053 0.467964 O\n0.327289 0.795253 0.485343 O\n",
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],
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"density": 4.800019530958946,
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"formula_full": "Sr4 Co2 Cu4 O14",
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{
"id": "mp-1099086",
"created_at": "2022-09-04T14:40:16.035832Z",
"structure_string": "Mg14 Fe1 W1\n1.0\n2.996325 -5.467160 0.000000\n2.996325 5.467160 0.000000\n0.000000 0.000000 9.909125\nMg Fe W\n14 1 1\ndirect\n0.833441 0.166559 0.000000 Mg\n0.333745 0.666255 0.000000 Mg\n0.327962 0.166141 0.500000 Mg\n0.331568 0.169960 0.000000 Mg\n0.833859 0.672038 0.500000 Mg\n0.830040 0.668432 0.000000 Mg\n0.163070 0.335639 0.270928 Mg\n0.163070 0.335639 0.729072 Mg\n0.664361 0.836930 0.270928 Mg\n0.664361 0.836930 0.729072 Mg\n0.677828 0.322172 0.264265 Mg\n0.677828 0.322172 0.735735 Mg\n0.174241 0.825759 0.254704 Mg\n0.174241 0.825759 0.745296 Mg\n0.828030 0.171970 0.500000 Fe\n0.322358 0.677642 0.500000 W\n",
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"formula_full": "Mg14 Fe1 W1",
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{
"id": "mp-20476",
"created_at": "2022-09-04T14:40:16.065698Z",
"structure_string": "In2 Cu1 O4\n1.0\n-1.921753 1.921753 5.673775\n1.921753 -1.921753 5.673775\n1.921753 1.921753 -5.673775\nIn Cu O\n2 1 4\ndirect\n0.346614 0.346614 0.000000 In\n0.653386 0.653386 0.000000 In\n0.000000 0.000000 0.000000 Cu\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
"id": "mp-1043176",
"created_at": "2022-09-04T14:40:16.011670Z",
"structure_string": "Mg4 Ni4 Sb4 P8 O36\n1.0\n6.490832 0.000000 0.000000\n0.000000 7.314082 0.000000\n0.000000 0.000000 14.566983\nMg Ni Sb P O\n4 4 4 8 36\ndirect\n0.250000 0.444780 0.303602 Mg\n0.250000 0.055220 0.803602 Mg\n0.750000 0.555220 0.696398 Mg\n0.750000 0.944780 0.196398 Mg\n0.000000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.250000 0.866359 0.381426 Sb\n0.750000 0.133641 0.618574 Sb\n0.750000 0.366359 0.118574 Sb\n0.250000 0.633641 0.881426 Sb\n0.750000 0.864322 0.418793 P\n0.250000 0.135678 0.581207 P\n0.250000 0.364322 0.081207 P\n0.750000 0.635678 0.918793 P\n0.250000 0.881041 0.187693 P\n0.750000 0.118959 0.812307 P\n0.750000 0.381041 0.312307 P\n0.250000 0.618959 0.687693 P\n0.546411 0.119207 0.868813 O\n0.046411 0.880793 0.131187 O\n0.453589 0.619207 0.631187 O\n0.953589 0.380793 0.368813 O\n0.453589 0.880793 0.131187 O\n0.953589 0.119207 0.868813 O\n0.546411 0.380793 0.368813 O\n0.046411 0.619207 0.631187 O\n0.750000 0.814510 0.974900 O\n0.250000 0.185490 0.025100 O\n0.250000 0.314510 0.525100 O\n0.750000 0.685490 0.474900 O\n0.250000 0.612812 0.430860 O\n0.750000 0.387188 0.569140 O\n0.750000 0.112812 0.069140 O\n0.250000 0.887188 0.930860 O\n0.250000 0.708348 0.253755 O\n0.750000 0.291652 0.746245 O\n0.750000 0.208348 0.246245 O\n0.250000 0.791652 0.753755 O\n0.931995 0.629975 0.848329 O\n0.431995 0.370025 0.151671 O\n0.068005 0.129975 0.651671 O\n0.568005 0.870025 0.348329 O\n0.068005 0.370025 0.151671 O\n0.568005 0.629975 0.848329 O\n0.931995 0.870025 0.348329 O\n0.431995 0.129975 0.651671 O\n0.250000 0.457132 0.757550 O\n0.750000 0.542868 0.242450 O\n0.750000 0.957132 0.742450 O\n0.250000 0.042868 0.257550 O\n0.250000 0.537547 0.023086 O\n0.750000 0.462453 0.976914 O\n0.750000 0.037547 0.476914 O\n0.250000 0.962453 0.523086 O\n",
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{
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{
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"structure_string": "Te4 Mo1 W2 S2\n1.0\n1.712726 -2.966529 0.000000\n1.712726 2.966529 0.000000\n0.000000 0.000000 31.759646\nTe Mo W S\n4 1 2 2\ndirect\n0.000000 0.000000 0.405733 Te\n0.333333 0.666667 0.519539 Te\n0.333333 0.666667 0.637403 Te\n0.000000 0.000000 0.287866 Te\n0.000000 0.000000 0.115655 Mo\n0.000000 0.000000 0.578502 W\n0.333333 0.666667 0.346793 W\n0.333333 0.666667 0.068538 S\n0.333333 0.666667 0.162812 S\n",
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{
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{
"id": "mp-1212005",
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"structure_string": "K12 Li12 W12 O48\n1.0\n9.230302 0.000000 0.000000\n0.000000 9.667967 0.000000\n0.000000 9.608075 16.854406\nK Li W O\n12 12 12 48\ndirect\n0.470561 0.847450 0.912520 K\n0.529439 0.152550 0.087480 K\n0.970561 0.152550 0.587480 K\n0.029439 0.847450 0.412520 K\n0.008079 0.501121 0.751936 K\n0.991921 0.498879 0.248064 K\n0.508079 0.498879 0.748064 K\n0.491921 0.501121 0.251936 K\n0.036639 0.804502 0.929890 K\n0.963361 0.195498 0.070110 K\n0.536639 0.195498 0.570110 K\n0.463361 0.804502 0.429890 K\n0.669560 0.840612 0.590864 Li\n0.330440 0.159388 0.409136 Li\n0.169560 0.159388 0.909136 Li\n0.830440 0.840612 0.090864 Li\n0.170161 0.519222 0.579985 Li\n0.829839 0.480778 0.420015 Li\n0.670161 0.480778 0.920015 Li\n0.329839 0.519222 0.079985 Li\n0.168006 0.822424 0.760642 Li\n0.831994 0.177576 0.239358 Li\n0.668006 0.177576 0.739358 Li\n0.331994 0.822424 0.260642 Li\n0.287177 0.475824 0.918277 W\n0.712823 0.524176 0.081723 W\n0.787177 0.524176 0.581723 W\n0.212823 0.475824 0.418277 W\n0.285127 0.841022 0.592572 W\n0.714873 0.158978 0.407428 W\n0.785127 0.158978 0.907428 W\n0.214873 0.841022 0.092572 W\n0.782941 0.813456 0.763336 W\n0.217059 0.186544 0.236664 W\n0.282941 0.186544 0.736664 W\n0.717059 0.813456 0.263336 W\n0.267154 0.614661 0.812959 O\n0.732846 0.385339 0.187041 O\n0.767154 0.385339 0.687041 O\n0.232846 0.614661 0.312959 O\n0.254254 0.579076 0.973981 O\n0.745746 0.420924 0.026019 O\n0.754254 0.420924 0.526019 O\n0.245746 0.579076 0.473981 O\n0.157664 0.896708 0.646269 O\n0.842336 0.103292 0.353731 O\n0.657664 0.103292 0.853731 O\n0.342336 0.896708 0.146269 O\n0.252214 0.950857 0.986470 O\n0.747786 0.049143 0.013530 O\n0.752214 0.049143 0.513530 O\n0.247786 0.950857 0.486470 O\n0.161242 0.310743 0.949675 O\n0.838758 0.689257 0.050325 O\n0.661242 0.689257 0.550325 O\n0.338758 0.310743 0.449675 O\n0.249565 0.973124 0.789640 O\n0.750435 0.026876 0.210360 O\n0.749565 0.026876 0.710360 O\n0.250435 0.973124 0.289640 O\n0.765445 0.737070 0.694895 O\n0.234555 0.262930 0.305105 O\n0.265445 0.262930 0.805105 O\n0.734555 0.737070 0.194895 O\n0.158100 0.288107 0.653934 O\n0.841900 0.711893 0.346066 O\n0.658100 0.711893 0.846066 O\n0.341900 0.288107 0.153934 O\n0.468422 0.883399 0.610151 O\n0.531578 0.116601 0.389849 O\n0.968422 0.116601 0.889849 O\n0.031578 0.883399 0.110151 O\n0.967308 0.774443 0.801294 O\n0.032692 0.225557 0.198706 O\n0.467308 0.225557 0.698706 O\n0.532692 0.774443 0.301294 O\n0.275020 0.628964 0.626653 O\n0.724980 0.371036 0.373347 O\n0.775020 0.371036 0.873347 O\n0.224980 0.628964 0.126653 O\n0.970935 0.600478 0.563941 O\n0.029065 0.399522 0.436059 O\n0.470935 0.399522 0.936059 O\n0.529065 0.600478 0.063941 O\n",
"nsites": 84,
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"elements": [
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],
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"formula_full": "K12 Li12 W12 O48",
"formula_reduced": "KLiWO4",
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"updated_at": "2021-11-28T01:34:50.552000Z",
"spacegroup": 14
},
{
"id": "mp-867783",
"created_at": "2022-09-04T14:40:16.046607Z",
"structure_string": "Li6 Fe5 Cu1 O12\n1.0\n4.485290 2.579189 0.000000\n-4.485290 2.579189 0.000000\n0.000000 0.068643 10.160917\nLi Fe Cu O\n6 5 1 12\ndirect\n0.984742 0.662949 0.274811 Li\n0.662949 0.984743 0.274811 Li\n0.694122 0.694122 0.721797 Li\n0.305878 0.305878 0.278203 Li\n0.337051 0.015257 0.725189 Li\n0.015257 0.337051 0.725189 Li\n0.500000 0.500000 0.000000 Fe\n0.663455 0.336545 0.500000 Fe\n0.336545 0.663455 0.500000 Fe\n0.832486 0.167514 0.000000 Fe\n0.167514 0.832486 0.000000 Fe\n0.000000 0.000000 0.500000 Cu\n0.843865 0.843865 0.894947 O\n0.841438 0.510235 0.101797 O\n0.510235 0.841438 0.101797 O\n0.992087 0.329292 0.388991 O\n0.329292 0.992087 0.388991 O\n0.635397 0.635397 0.379183 O\n0.364603 0.364603 0.620817 O\n0.670708 0.007913 0.611009 O\n0.007913 0.670708 0.611009 O\n0.489765 0.158562 0.898203 O\n0.158562 0.489765 0.898203 O\n0.156135 0.156135 0.105053 O\n",
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}
]
}