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{
"id": "mp-757605",
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"structure_string": "Li2 V3 Co1 O8\n1.0\n5.160810 -2.966006 0.000000\n5.160810 2.966006 0.000000\n3.456196 0.000000 4.846222\nLi V Co O\n2 3 1 8\ndirect\n0.879160 0.879160 0.879160 Li\n0.498466 0.498466 0.498466 Li\n0.502127 0.502127 0.992657 V\n0.502127 0.992657 0.502127 V\n0.992657 0.502127 0.502127 V\n0.121586 0.121586 0.121586 Co\n0.741234 0.741234 0.741234 O\n0.288567 0.751049 0.751049 O\n0.751049 0.288567 0.751049 O\n0.751049 0.751049 0.288567 O\n0.249570 0.249570 0.714358 O\n0.249570 0.714358 0.249570 O\n0.714358 0.249570 0.249570 O\n0.258481 0.258481 0.258481 O\n",
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{
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"structure_string": "Mg1 Au4 Se4 Cl4 O12\n1.0\n5.255013 0.212361 0.404760\n0.966892 9.933195 1.594917\n0.724760 -0.084663 11.396044\nMg Au Se Cl O\n1 4 4 4 12\ndirect\n0.528712 0.524489 0.933528 Mg\n0.017129 0.593832 0.159012 Au\n0.959794 0.016979 0.004622 Au\n0.185745 0.373856 0.733252 Au\n0.016538 0.969242 0.501560 Au\n0.777095 0.883884 0.275339 Se\n0.023387 0.742132 0.882386 Se\n0.866532 0.293149 0.124608 Se\n0.223450 0.084249 0.717672 Se\n0.431246 0.542001 0.729655 Cl\n0.769861 0.520270 0.329981 Cl\n0.273630 0.141596 0.447733 Cl\n0.767808 0.794903 0.552539 Cl\n0.697394 0.004056 0.153521 O\n0.642764 0.360635 0.032927 O\n0.033736 0.775268 0.212460 O\n0.085891 0.186181 0.038263 O\n0.090011 0.414202 0.096665 O\n0.821772 0.853340 0.968461 O\n0.228140 0.656271 -0.003721 O\n0.978687 0.216596 0.731025 O\n0.981127 0.979627 0.325328 O\n0.810733 0.634439 0.885909 O\n0.242613 0.005663 0.865173 O\n0.046206 0.964393 0.677103 O\n",
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"formula_full": "Mg1 Au4 Se4 Cl4 O12",
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},
{
"id": "mp-6748",
"created_at": "2022-09-04T14:40:41.536928Z",
"structure_string": "Cs4 Ti2 Si12 O30\n1.0\n3.818985 6.594783 0.000000\n-3.818985 6.594783 0.000000\n0.000000 4.202017 14.877371\nCs Ti Si O\n4 2 12 30\ndirect\n0.855101 0.580744 0.306558 Cs\n0.580744 0.855101 0.806558 Cs\n0.112710 0.371249 0.981194 Cs\n0.371249 0.112710 0.481194 Cs\n0.702902 0.221273 0.900557 Ti\n0.221273 0.702902 0.400557 Ti\n0.588851 0.451834 0.539597 Si\n0.451834 0.588851 0.039597 Si\n0.018550 0.345068 0.740659 Si\n0.345068 0.018550 0.240659 Si\n0.866416 0.628985 0.553328 Si\n0.628985 0.866416 0.053328 Si\n0.361151 0.470211 0.743667 Si\n0.470211 0.361151 0.243667 Si\n0.980693 0.918450 0.062597 Si\n0.918450 0.980693 0.562597 Si\n0.065814 0.933561 0.749554 Si\n0.933561 0.065814 0.249554 Si\n0.567398 0.054848 0.973280 O\n0.054848 0.567398 0.473280 O\n0.516852 0.312448 0.812718 O\n0.312448 0.516852 0.312718 O\n0.902706 0.975672 0.839378 O\n0.975672 0.902706 0.339378 O\n0.510042 0.457008 0.960785 O\n0.457008 0.510042 0.460785 O\n0.788069 0.225925 0.530539 O\n0.225925 0.788069 0.030539 O\n0.843241 0.372804 0.825871 O\n0.372804 0.843241 0.325871 O\n0.154778 0.102955 0.722931 O\n0.102955 0.154778 0.222931 O\n0.673576 0.619259 0.527875 O\n0.619259 0.673576 0.027875 O\n0.923987 0.480770 0.648685 O\n0.480770 0.923987 0.148685 O\n0.882279 0.124989 0.994037 O\n0.124989 0.882279 0.494037 O\n0.709097 0.270866 0.258920 O\n0.270866 0.709097 0.758920 O\n0.443764 0.460001 0.139217 O\n0.460001 0.443764 0.639217 O\n0.947822 0.960192 0.165769 O\n0.960192 0.947822 0.665769 O\n0.774317 0.868714 0.570049 O\n0.868714 0.774317 0.070049 O\n0.420666 0.167432 0.262794 O\n0.167432 0.420666 0.762794 O\n",
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"elements": [
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],
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"density_atomic": 0.06405257389333022,
"volume": 749.3844053782549,
"volume_molar": 9.401871609451566,
"formula_full": "Cs4 Ti2 Si12 O30",
"formula_reduced": "Cs2Ti(Si2O5)3",
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"updated_at": "2021-11-28T01:35:03.868000Z",
"spacegroup": 9
},
{
"id": "mp-1224835",
"created_at": "2022-09-04T14:40:39.973935Z",
"structure_string": "Fe2 Pb3 W1 O9\n1.0\n4.021153 -0.000025 4.021126\n0.000011 4.021295 4.021090\n-4.031917 -4.032132 4.031915\nFe Pb W O\n2 3 1 9\ndirect\n0.666670 0.666648 0.166655 Fe\n0.999984 0.000013 0.499993 Fe\n0.333185 0.333214 0.333401 Pb\n0.666657 0.666683 0.623338 Pb\n0.000073 0.000000 0.043329 Pb\n0.333377 0.333396 0.833351 W\n0.333340 0.833350 0.333341 O\n0.833317 0.833338 0.333328 O\n0.833384 0.333358 0.333316 O\n0.655784 0.172081 0.670057 O\n0.010898 0.494541 0.996621 O\n0.172135 0.172126 0.670037 O\n0.494554 0.494573 0.996577 O\n0.172133 0.655758 0.670049 O\n0.494511 0.010920 0.996609 O\n",
"nsites": 15,
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"elements": [
"Fe",
"Pb",
"W",
"O"
],
"chemical_system": "Fe-O-Pb-W",
"density": 9.008786846277925,
"density_atomic": 0.07669059196799867,
"volume": 195.5911359539274,
"volume_molar": 7.8525156808189855,
"formula_full": "Fe2 Pb3 W1 O9",
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"formula_anonymous": "AB2C3D9",
"energy": -111.78538757,
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"updated_at": "2021-11-28T01:35:08.146000Z",
"spacegroup": 164
},
{
"id": "mp-761952",
"created_at": "2022-09-04T14:40:38.510362Z",
"structure_string": "Li10 Sb2 P8 O28\n1.0\n7.251559 0.000000 0.000000\n3.099931 7.997033 0.000000\n2.240313 1.431026 9.501733\nLi Sb P O\n10 2 8 28\ndirect\n0.337770 0.184501 0.276559 Li\n0.314578 0.251685 0.587256 Li\n0.752543 0.263501 0.099412 Li\n0.032886 0.462386 0.141052 Li\n0.446249 0.483770 0.356579 Li\n0.553751 0.516230 0.643421 Li\n0.967114 0.537614 0.858948 Li\n0.247457 0.736499 0.900588 Li\n0.685422 0.748315 0.412744 Li\n0.662230 0.815499 0.723441 Li\n0.875721 0.147201 0.759688 Sb\n0.124279 0.852799 0.240312 Sb\n0.162474 0.144594 0.962391 P\n0.690204 0.099495 0.452264 P\n0.415460 0.341136 0.943759 P\n0.877116 0.362991 0.428758 P\n0.122884 0.637009 0.571242 P\n0.584540 0.658864 0.056241 P\n0.309796 0.900505 0.547736 P\n0.837526 0.855406 0.037609 P\n0.216205 0.058588 0.621280 O\n0.076454 0.205014 0.104474 O\n0.795232 0.041422 0.038588 O\n0.656607 0.062940 0.613412 O\n0.023046 0.260826 0.850316 O\n0.501046 0.228509 0.397455 O\n0.372029 0.181874 0.905233 O\n0.074622 0.370045 0.340293 O\n0.460510 0.301863 0.092675 O\n0.862119 0.189823 0.399313 O\n0.600583 0.349414 0.827455 O\n0.867304 0.342929 0.592017 O\n0.230862 0.497314 0.922931 O\n0.308453 0.486330 0.603169 O\n0.691547 0.513670 0.396831 O\n0.769138 0.502686 0.077069 O\n0.132696 0.657071 0.407983 O\n0.399417 0.650586 0.172545 O\n0.137881 0.810177 0.600687 O\n0.539490 0.698137 0.907325 O\n0.925378 0.629955 0.659707 O\n0.627971 0.818126 0.094767 O\n0.498954 0.771491 0.602545 O\n0.976954 0.739174 0.149684 O\n0.343393 0.937060 0.386588 O\n0.204768 0.958578 0.961412 O\n0.923546 0.794986 0.895526 O\n0.783795 0.941412 0.378720 O\n",
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"formula_full": "Li10 Sb2 P8 O28",
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"spacegroup": 2
},
{
"id": "mp-1031857",
"created_at": "2022-09-04T14:40:38.494113Z",
"structure_string": "Ba1 Ca1 Mg6 O8\n1.0\n9.234802 0.000000 0.000000\n-0.000000 4.681180 0.000000\n0.000000 0.000000 4.681180\nBa Ca Mg O\n1 1 6 8\ndirect\n0.500000 0.000000 -0.000000 Ba\n-0.000000 0.000000 -0.000000 Ca\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.238312 0.000000 0.500000 Mg\n0.761688 0.000000 0.500000 Mg\n0.238312 0.500000 -0.000000 Mg\n0.761688 0.500000 0.000000 Mg\n0.232398 0.000000 -0.000000 O\n0.767602 0.000000 0.000000 O\n0.244682 0.500000 0.500000 O\n0.755318 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
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},
{
"id": "mp-560219",
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"structure_string": "K16 Sb8 N12 O36 F28\n1.0\n8.756563 0.000000 0.000000\n0.000000 9.126692 0.000000\n0.000000 0.000000 20.290974\nK Sb N O F\n16 8 12 36 28\ndirect\n0.676679 0.664682 0.996624 K\n0.812446 0.168834 0.678500 K\n0.823321 0.835318 0.496624 K\n0.176679 0.835318 0.003376 K\n0.323321 0.664682 0.503376 K\n0.312446 0.331166 0.321500 K\n0.823321 0.164682 0.996624 K\n0.312446 0.668834 0.821500 K\n0.812446 0.831166 0.178500 K\n0.187554 0.168834 0.821500 K\n0.187554 0.831166 0.321500 K\n0.687554 0.668834 0.678500 K\n0.687554 0.331166 0.178500 K\n0.176679 0.164682 0.503376 K\n0.323321 0.335318 0.003376 K\n0.676679 0.335318 0.496624 K\n0.386661 0.379817 0.653649 Sb\n0.113339 0.879817 0.653649 Sb\n0.613339 0.379817 0.846351 Sb\n0.613339 0.620183 0.346351 Sb\n0.386661 0.620183 0.153649 Sb\n0.886661 0.120183 0.346351 Sb\n0.886661 0.879817 0.846351 Sb\n0.113339 0.120183 0.153649 Sb\n0.470153 0.986085 0.917549 N\n0.470153 0.013915 0.417549 N\n0.970153 0.513915 0.082451 N\n0.000000 0.509908 0.750000 N\n0.029847 0.513915 0.417549 N\n0.500000 0.990092 0.250000 N\n0.029847 0.486085 0.917549 N\n0.529847 0.013915 0.082451 N\n0.500000 0.009908 0.750000 N\n0.529847 0.986085 0.582451 N\n0.970153 0.486085 0.582451 N\n0.000000 0.490092 0.250000 N\n0.034771 0.651831 0.424759 O\n0.378433 0.941445 0.763966 O\n0.088482 0.546555 0.606519 O\n0.000000 0.649535 0.750000 O\n0.588482 0.046555 0.893481 O\n0.534771 0.151831 0.075241 O\n0.878433 0.441445 0.736034 O\n0.356082 0.063420 0.934470 O\n0.856082 0.563420 0.565530 O\n0.911518 0.453445 0.393481 O\n0.965229 0.348169 0.575241 O\n0.121567 0.558555 0.263966 O\n0.088482 0.453445 0.106519 O\n0.643918 0.063420 0.565530 O\n0.143918 0.563420 0.934470 O\n0.121567 0.441445 0.763966 O\n0.965229 0.651831 0.075241 O\n0.534771 0.848169 0.575241 O\n0.378433 0.058555 0.263966 O\n0.621567 0.058555 0.236034 O\n0.878433 0.558555 0.236034 O\n0.911518 0.546555 0.893481 O\n0.465229 0.151831 0.424759 O\n0.500000 0.850465 0.250000 O\n0.856082 0.436580 0.065530 O\n0.411518 0.953445 0.106519 O\n0.034771 0.348169 0.924759 O\n0.643918 0.936580 0.065530 O\n0.500000 0.149535 0.750000 O\n0.588482 0.953445 0.393481 O\n0.356082 0.936580 0.434470 O\n0.621567 0.941445 0.736034 O\n0.143918 0.436580 0.434470 O\n0.000000 0.350465 0.250000 O\n0.465229 0.848169 0.924759 O\n0.411518 0.046555 0.606519 O\n0.896197 0.094424 0.857132 F\n0.373332 0.377027 0.553742 F\n0.373332 0.622973 0.053742 F\n0.896197 0.905576 0.357132 F\n0.000000 0.041199 0.250000 F\n0.392474 0.629921 0.365758 F\n0.873332 0.877027 0.946258 F\n0.000000 0.958801 0.750000 F\n0.107526 0.129921 0.365758 F\n0.626668 0.622973 0.446258 F\n0.396197 0.594424 0.642868 F\n0.626668 0.377027 0.946258 F\n0.603803 0.594424 0.857132 F\n0.892474 0.129921 0.134242 F\n0.392474 0.370079 0.865758 F\n0.873332 0.122973 0.446258 F\n0.396197 0.405576 0.142868 F\n0.107526 0.870079 0.865758 F\n0.607526 0.370079 0.634242 F\n0.892474 0.870079 0.634242 F\n0.103803 0.094424 0.642868 F\n0.607526 0.629921 0.134242 F\n0.126668 0.122973 0.053742 F\n0.103803 0.905576 0.142868 F\n0.500000 0.458801 0.750000 F\n0.500000 0.541199 0.250000 F\n0.603803 0.405576 0.357132 F\n0.126668 0.877027 0.553742 F\n",
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"formula_full": "K16 Sb8 N12 O36 F28",
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},
{
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