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{
"id": "mp-767091",
"created_at": "2022-09-04T14:48:19.771367Z",
"structure_string": "Li1 Nb1 Sn3 P6 O24\n1.0\n7.858792 -4.386222 0.000000\n7.858792 4.386222 0.000000\n5.410714 0.000000 7.191921\nLi Nb Sn P O\n1 1 3 6 24\ndirect\n0.006712 0.006712 0.006712 Li\n0.855689 0.855689 0.855689 Nb\n0.146194 0.146194 0.146194 Sn\n0.358533 0.358533 0.358533 Sn\n0.643145 0.643145 0.643145 Sn\n0.037914 0.454614 0.752239 P\n0.454614 0.752239 0.037914 P\n0.752239 0.037914 0.454614 P\n0.251628 0.962106 0.540050 P\n0.540050 0.251628 0.962106 P\n0.962106 0.540050 0.251628 P\n0.132191 0.518054 0.272104 O\n0.272104 0.132191 0.518054 O\n0.061316 0.271103 0.920747 O\n0.518054 0.272104 0.132191 O\n0.215686 0.445173 0.581925 O\n0.995163 0.621226 0.798891 O\n0.271103 0.920747 0.061316 O\n0.445173 0.581925 0.215686 O\n0.581925 0.215686 0.445173 O\n0.213897 0.988211 0.378605 O\n0.078764 0.933519 0.722893 O\n0.378605 0.213897 0.988211 O\n0.621226 0.798891 0.995163 O\n0.920747 0.061316 0.271103 O\n0.798891 0.995163 0.621226 O\n0.417046 0.783685 0.565172 O\n0.565172 0.417046 0.783685 O\n0.722893 0.078764 0.933519 O\n0.988211 0.378605 0.213897 O\n0.783685 0.565172 0.417046 O\n0.481943 0.721680 0.872184 O\n0.933519 0.722893 0.078764 O\n0.721680 0.872184 0.481943 O\n0.872184 0.481943 0.721680 O\n",
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"spacegroup": 146
},
{
"id": "mp-1184305",
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"structure_string": "Gd2 Ga1 Ag1\n1.0\n0.000000 3.659476 3.659476\n3.659476 0.000000 3.659476\n3.659476 3.659476 0.000000\nGd Ga Ag\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Gd\n0.250000 0.250000 0.250000 Gd\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n",
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"formula_full": "Gd2 Ga1 Ag1",
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{
"id": "mp-1245236",
"created_at": "2022-09-04T14:48:16.294051Z",
"structure_string": "Zn50 S50\n1.0\n13.581037 0.050392 0.460622\n0.038832 13.318602 -0.312198\n0.456497 -0.282759 13.252382\nZn S\n50 50\ndirect\n0.397645 0.017613 0.073406 Zn\n0.488381 0.306152 0.470371 Zn\n0.739230 0.003166 0.741900 Zn\n0.629447 0.065601 0.982198 Zn\n0.301911 0.295703 0.451046 Zn\n0.679653 0.691299 0.187934 Zn\n0.751323 0.119438 0.253749 Zn\n0.045898 0.124322 0.368167 Zn\n0.856243 0.643218 0.752734 Zn\n0.076285 0.958407 0.178086 Zn\n0.767361 0.223353 0.883363 Zn\n0.767671 0.542667 0.992343 Zn\n0.276846 0.620937 0.619535 Zn\n0.813727 0.871629 0.989923 Zn\n0.628774 0.785363 0.603008 Zn\n0.743506 0.331767 0.106985 Zn\n0.429723 0.581810 0.095809 Zn\n0.072884 0.961851 0.735122 Zn\n0.005407 0.383587 0.997913 Zn\n0.036196 0.671241 0.716061 Zn\n0.115425 0.694079 0.129455 Zn\n0.238798 0.859025 0.970148 Zn\n0.606301 0.274443 0.668593 Zn\n0.199704 0.999391 0.556664 Zn\n0.811133 0.561776 0.505686 Zn\n0.940500 0.783207 0.116287 Zn\n0.575977 0.345394 0.864576 Zn\n0.133511 0.348297 0.622646 Zn\n0.891446 0.209299 0.608578 Zn\n0.437731 0.264798 0.782723 Zn\n0.788181 0.316597 0.393218 Zn\n0.314662 0.011288 0.804684 Zn\n0.877149 0.041767 0.142294 Zn\n0.222923 0.145554 0.127348 Zn\n0.440046 0.659953 0.788530 Zn\n0.506018 0.886870 0.867094 Zn\n0.755132 0.971860 0.467600 Zn\n0.149379 0.535184 0.410935 Zn\n0.234993 0.520320 0.895352 Zn\n0.319251 0.034186 0.323475 Zn\n0.996548 0.651145 0.987202 Zn\n0.555031 0.930486 0.385656 Zn\n0.274415 0.341754 0.719993 Zn\n0.044948 0.793882 0.359616 Zn\n0.173298 0.823472 0.572119 Zn\n0.921488 0.527313 0.241933 Zn\n0.974819 0.493467 0.737625 Zn\n0.204902 0.455674 0.126155 Zn\n0.382714 0.218124 0.611096 Zn\n0.418333 0.718155 0.356162 Zn\n0.537790 0.933524 0.031534 S\n0.690676 0.285267 0.258476 S\n0.889847 0.457554 0.401423 S\n0.263786 0.033804 0.976483 S\n0.304172 0.581452 0.334266 S\n0.785285 0.025557 0.912104 S\n0.204230 0.842984 0.141015 S\n0.058826 0.637465 0.299398 S\n0.469263 0.086058 0.783144 S\n0.977326 0.327594 0.699940 S\n0.064403 0.517313 0.890299 S\n0.839478 0.691623 0.921609 S\n0.100192 0.808831 0.794698 S\n0.325412 0.354879 0.910620 S\n0.766610 0.671046 0.623898 S\n0.041749 0.419330 0.163032 S\n0.977855 0.934701 0.032484 S\n0.621800 0.240174 0.994995 S\n0.354383 0.821126 0.832580 S\n0.099758 0.247350 0.934355 S\n0.670099 0.817821 0.438135 S\n0.839428 0.366810 0.963059 S\n0.371278 0.137964 0.200387 S\n0.988264 0.941871 0.341126 S\n0.216031 0.290429 0.012826 S\n0.207308 0.118896 0.436764 S\n0.511783 0.686580 0.205278 S\n0.635085 0.357756 0.521151 S\n0.393738 0.456036 0.308872 S\n0.127981 0.650510 0.558436 S\n0.769235 0.541223 0.166350 S\n0.638228 0.867250 0.756177 S\n0.516668 0.654415 0.621694 S\n0.197381 0.080729 0.716516 S\n0.850870 0.941192 0.606027 S\n0.888611 0.179930 0.437515 S\n0.969633 0.037519 0.627749 S\n0.777164 0.827367 0.159995 S\n0.148916 0.369273 0.444962 S\n0.400092 0.717091 0.548059 S\n0.521757 0.618892 0.935030 S\n0.394332 0.894932 0.373689 S\n0.745784 0.182597 0.715943 S\n0.257477 0.603273 0.048850 S\n0.381801 0.418383 0.156646 S\n0.646354 0.073666 0.393341 S\n0.504131 0.092229 0.626008 S\n0.632598 0.513271 0.890346 S\n0.327851 0.530950 0.744811 S\n0.066149 0.135259 0.191847 S\n",
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"nelements": 2,
"elements": [
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],
"chemical_system": "S-Zn",
"density": 3.3818512427536533,
"density_atomic": 0.04178752122675067,
"volume": 2393.0589100361394,
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"formula_full": "Zn50 S50",
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"energy": -333.21197957,
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"spacegroup": 1
},
{
"id": "mp-757590",
"created_at": "2022-09-04T14:48:15.713264Z",
"structure_string": "Li8 Sn8 P8 O32\n1.0\n7.390820 0.000000 0.000000\n0.000000 7.721098 0.000000\n0.000000 0.000000 13.566227\nLi Sn P O\n8 8 8 32\ndirect\n0.164826 0.162456 0.230647 Li\n0.664826 0.162456 0.269353 Li\n0.164826 0.337544 0.730647 Li\n0.664826 0.337544 0.769353 Li\n0.335174 0.662456 0.230647 Li\n0.835174 0.662456 0.269353 Li\n0.335174 0.837544 0.730647 Li\n0.835174 0.837544 0.769353 Li\n0.435478 0.190568 0.549756 Sn\n0.935478 0.190568 0.950244 Sn\n0.435478 0.309432 0.049756 Sn\n0.935478 0.309432 0.450244 Sn\n0.064522 0.690568 0.549756 Sn\n0.564522 0.690568 0.950244 Sn\n0.064522 0.809432 0.049756 Sn\n0.564522 0.809432 0.450244 Sn\n0.903822 0.099224 0.637373 P\n0.403822 0.099224 0.862627 P\n0.903822 0.400776 0.137373 P\n0.403822 0.400776 0.362627 P\n0.596178 0.599224 0.637373 P\n0.096178 0.599224 0.862627 P\n0.596178 0.900776 0.137373 P\n0.096178 0.900776 0.362627 P\n0.732635 0.884293 0.048608 O\n0.232635 0.884293 0.451392 O\n0.315177 0.133053 0.762606 O\n0.815177 0.133053 0.737394 O\n0.520182 0.090467 0.142783 O\n0.020182 0.090467 0.357217 O\n0.054566 0.233708 0.609706 O\n0.554566 0.233708 0.890294 O\n0.054566 0.266292 0.109706 O\n0.554566 0.266292 0.390294 O\n0.520182 0.409533 0.642783 O\n0.020182 0.409533 0.857217 O\n0.815177 0.366947 0.237394 O\n0.315177 0.366947 0.262606 O\n0.732635 0.615707 0.548608 O\n0.232635 0.615707 0.951392 O\n0.267365 0.384293 0.451392 O\n0.767365 0.384293 0.048608 O\n0.684823 0.633053 0.737394 O\n0.184823 0.633053 0.762606 O\n0.979818 0.590467 0.142783 O\n0.479818 0.590467 0.357217 O\n0.445434 0.733708 0.609706 O\n0.945434 0.733708 0.890294 O\n0.445434 0.766292 0.109706 O\n0.945434 0.766292 0.390294 O\n0.979818 0.909533 0.642783 O\n0.479818 0.909533 0.857217 O\n0.684823 0.866947 0.237394 O\n0.184823 0.866947 0.262606 O\n0.767365 0.115707 0.548608 O\n0.267365 0.115707 0.951392 O\n",
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"formula_full": "Li8 Sn8 P8 O32",
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{
"id": "mp-1209536",
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"structure_string": "Rb3 As1 F6\n1.0\n-4.391672 -7.584608 1.148789\n-2.641888 6.580054 -0.552520\n0.737330 1.368953 -6.963056\nRb As F\n3 1 6\ndirect\n0.000000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 As\n0.050831 0.265582 0.782525 F\n0.949169 0.734418 0.217475 F\n0.790878 0.719333 0.793546 F\n0.209122 0.280667 0.206454 F\n0.783349 0.995579 0.064080 F\n0.216651 0.004421 0.935920 F\n",
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{
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{
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"structure_string": "K4 Ag4 Ge2 S8\n1.0\n0.000000 6.813274 10.660459\n3.210489 0.000000 10.660459\n3.210489 6.813274 0.000000\nK Ag Ge S\n4 4 2 8\ndirect\n0.312903 0.312903 0.687097 K\n0.687097 0.687097 0.312903 K\n0.562903 0.562903 0.937097 K\n0.937097 0.937097 0.562903 K\n0.175234 0.175234 0.324766 Ag\n0.925234 0.925234 0.074766 Ag\n0.074766 0.074766 0.925234 Ag\n0.324766 0.324766 0.175234 Ag\n0.500000 0.500000 0.500000 Ge\n0.750000 0.750000 0.750000 Ge\n0.902011 0.719288 0.395680 S\n0.983022 0.395680 0.719288 S\n0.530712 0.347989 0.266978 S\n0.395680 0.983022 0.902011 S\n0.266978 0.854320 0.530712 S\n0.719288 0.902011 0.983022 S\n0.854320 0.266978 0.347989 S\n0.347989 0.530712 0.854320 S\n",
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},
{
"id": "mp-22275",
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"structure_string": "Y4 Sn4 Pt4\n1.0\n4.575676 0.000000 0.000000\n0.000000 7.225668 0.000000\n0.000000 0.000000 8.064688\nY Sn Pt\n4 4 4\ndirect\n0.750000 0.990427 0.698131 Y\n0.250000 0.009573 0.301869 Y\n0.750000 0.490427 0.801869 Y\n0.250000 0.509573 0.198131 Y\n0.750000 0.318494 0.415150 Sn\n0.250000 0.181506 0.915150 Sn\n0.250000 0.681506 0.584850 Sn\n0.750000 0.818494 0.084850 Sn\n0.250000 0.785031 0.910162 Pt\n0.250000 0.285031 0.589838 Pt\n0.750000 0.714969 0.410162 Pt\n0.750000 0.214969 0.089838 Pt\n",
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