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{
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"structure_string": "La10 As2 Pb6\n1.0\n4.857198 -8.412915 0.000000\n4.857198 8.412915 0.000000\n0.000000 0.000000 7.376455\nLa As Pb\n10 2 6\ndirect\n0.758482 0.758482 0.750000 La\n0.241518 0.000000 0.750000 La\n0.000000 0.241518 0.750000 La\n0.241518 0.241518 0.250000 La\n0.758482 0.000000 0.250000 La\n0.000000 0.758482 0.250000 La\n0.666667 0.333333 0.000000 La\n0.333333 0.666667 0.000000 La\n0.333333 0.666667 0.500000 La\n0.666667 0.333333 0.500000 La\n0.000000 0.000000 0.000000 As\n0.000000 0.000000 0.500000 As\n0.401069 0.401069 0.750000 Pb\n0.598931 0.000000 0.750000 Pb\n0.000000 0.598931 0.750000 Pb\n0.598931 0.598931 0.250000 Pb\n0.401069 0.000000 0.250000 Pb\n0.000000 0.401069 0.250000 Pb\n",
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{
"id": "mp-860886",
"created_at": "2022-09-04T14:40:09.183475Z",
"structure_string": "Li14 Cu2 Si4 O16\n1.0\n3.173682 7.752283 0.000000\n-3.173682 7.752283 0.000000\n0.000000 0.089657 7.811067\nLi Cu Si O\n14 2 4 16\ndirect\n0.341898 0.827398 0.625961 Li\n0.827398 0.341898 0.625961 Li\n0.072833 0.072833 0.295784 Li\n0.648104 0.648104 0.853315 Li\n0.938767 0.430269 0.158033 Li\n0.430269 0.938767 0.158033 Li\n0.061233 0.569731 0.841967 Li\n0.569731 0.061233 0.841967 Li\n0.351896 0.351896 0.146685 Li\n0.927167 0.927167 0.704216 Li\n0.658102 0.172602 0.374039 Li\n0.172602 0.658102 0.374039 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.267547 0.267547 0.598492 Cu\n0.732453 0.732453 0.401508 Cu\n0.572652 0.572652 0.288009 Si\n0.144850 0.144850 0.850642 Si\n0.855150 0.855150 0.149358 Si\n0.427348 0.427348 0.711991 Si\n0.532242 0.532242 0.737201 O\n0.048393 0.048393 0.762976 O\n0.395114 0.823914 0.384848 O\n0.823914 0.395114 0.384848 O\n0.616493 0.616493 0.092356 O\n0.132421 0.132421 0.060009 O\n0.409582 0.981451 0.779738 O\n0.981451 0.409582 0.779738 O\n0.018549 0.590418 0.220262 O\n0.590418 0.018549 0.220262 O\n0.867579 0.867579 0.939991 O\n0.383507 0.383507 0.907644 O\n0.604886 0.176086 0.615152 O\n0.176086 0.604886 0.615152 O\n0.951607 0.951607 0.237024 O\n0.467758 0.467758 0.262799 O\n",
"nsites": 36,
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"density_atomic": 0.09366322666182862,
"volume": 384.3557528717019,
"volume_molar": 6.429567904747675,
"formula_full": "Li14 Cu2 Si4 O16",
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"updated_at": "2021-11-28T01:34:45.839000Z",
"spacegroup": 12
},
{
"id": "mp-1105247",
"created_at": "2022-09-04T14:40:09.185181Z",
"structure_string": "Sr4 Ca2 W2 O12\n1.0\n5.838793 0.000000 -0.021440\n0.000000 5.945887 0.000000\n-0.006321 0.000000 8.290879\nSr Ca W O\n4 2 2 12\ndirect\n0.490377 0.041631 0.249079 Sr\n0.990377 0.458369 0.749079 Sr\n0.509623 0.958369 0.750921 Sr\n0.009623 0.541631 0.250921 Sr\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.500000 0.500000 0.500000 W\n0.000000 0.000000 0.000000 W\n0.415311 0.528189 0.727127 O\n0.915311 0.971811 0.227127 O\n0.584689 0.471811 0.272873 O\n0.084689 0.028189 0.772873 O\n0.230692 0.311828 0.458488 O\n0.730692 0.188172 0.958488 O\n0.769308 0.688172 0.541512 O\n0.269308 0.811828 0.041512 O\n0.316215 0.769120 0.451325 O\n0.816215 0.730880 0.951325 O\n0.683785 0.230880 0.548675 O\n0.183785 0.269120 0.048675 O\n",
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"formula_full": "Sr4 Ca2 W2 O12",
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"updated_at": "2021-11-28T01:34:55.710000Z",
"spacegroup": 14
},
{
"id": "mp-734274",
"created_at": "2022-09-04T14:40:09.185667Z",
"structure_string": "Ca16 Si8 O40\n1.0\n7.325848 0.000000 0.000000\n0.000000 10.659723 0.000000\n0.000000 0.000000 10.934428\nCa Si O\n16 8 40\ndirect\n0.999351 0.695734 0.760533 Ca\n0.499351 0.804266 0.239467 Ca\n0.000649 0.195734 0.739467 Ca\n0.500649 0.304266 0.260533 Ca\n0.000649 0.304266 0.239467 Ca\n0.500649 0.195734 0.760533 Ca\n0.999351 0.804266 0.260533 Ca\n0.499351 0.695734 0.739467 Ca\n0.755072 0.066405 0.077509 Ca\n0.255072 0.433595 0.922491 Ca\n0.244928 0.566405 0.422491 Ca\n0.744928 0.933595 0.577509 Ca\n0.244928 0.933595 0.922491 Ca\n0.744928 0.566405 0.077509 Ca\n0.755072 0.433595 0.577509 Ca\n0.255072 0.066405 0.422491 Ca\n0.231576 0.316749 0.541407 Si\n0.731576 0.183251 0.458593 Si\n0.768424 0.816749 0.958593 Si\n0.268424 0.683251 0.041407 Si\n0.768424 0.683251 0.458593 Si\n0.268424 0.816749 0.541407 Si\n0.231576 0.183251 0.041407 Si\n0.731576 0.316749 0.958593 Si\n0.973093 0.424723 0.807530 O\n0.473093 0.075277 0.192470 O\n0.026907 0.924723 0.692470 O\n0.526907 0.575277 0.307530 O\n0.026907 0.575277 0.192470 O\n0.526907 0.924723 0.807530 O\n0.973093 0.075277 0.307530 O\n0.473093 0.424723 0.692470 O\n0.050520 0.382788 0.592455 O\n0.550520 0.117212 0.407545 O\n0.949480 0.882788 0.907545 O\n0.449480 0.617212 0.092455 O\n0.949480 0.617212 0.407545 O\n0.449480 0.882788 0.592455 O\n0.050520 0.117212 0.092455 O\n0.550520 0.382788 0.907545 O\n0.264065 0.182255 0.609363 O\n0.764065 0.317745 0.390637 O\n0.735935 0.682255 0.890637 O\n0.235935 0.817745 0.109363 O\n0.735935 0.817745 0.390637 O\n0.235935 0.682255 0.609363 O\n0.264065 0.317745 0.109363 O\n0.764065 0.182255 0.890637 O\n0.416379 0.410551 0.559048 O\n0.916379 0.089449 0.440952 O\n0.583621 0.910551 0.940952 O\n0.083621 0.589449 0.059048 O\n0.583621 0.589449 0.440952 O\n0.083621 0.910551 0.559048 O\n0.416379 0.089449 0.059048 O\n0.916379 0.410551 0.940952 O\n0.235996 0.311456 0.389956 O\n0.735996 0.188544 0.610044 O\n0.764004 0.811456 0.110044 O\n0.264004 0.688544 0.889956 O\n0.764004 0.688544 0.610044 O\n0.264004 0.811456 0.389956 O\n0.235996 0.188544 0.889956 O\n0.735996 0.311456 0.110044 O\n",
"nsites": 64,
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"chemical_system": "Ca-O-Si",
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"volume": 853.885998099877,
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"formula_full": "Ca16 Si8 O40",
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"updated_at": "2021-11-28T01:34:47.182000Z",
"spacegroup": 61
},
{
"id": "mp-1178301",
"created_at": "2022-09-04T14:40:09.193619Z",
"structure_string": "Fe3 Ni1 Sb2 P6 O24\n1.0\n7.640047 -4.353581 0.000000\n7.640047 4.353581 0.000000\n5.159216 0.000000 7.120848\nFe Ni Sb P O\n3 1 2 6 24\ndirect\n0.147920 0.147920 0.147920 Fe\n0.351040 0.351040 0.351040 Fe\n0.649299 0.649299 0.649299 Fe\n0.851285 0.851285 0.851285 Ni\n0.995237 0.995237 0.995237 Sb\n0.497906 0.497906 0.497906 Sb\n0.458966 0.749507 0.041722 P\n0.749507 0.041722 0.458966 P\n0.041722 0.458966 0.749507 P\n0.958926 0.541254 0.252360 P\n0.252360 0.958926 0.541254 P\n0.541254 0.252360 0.958926 P\n0.504711 0.309317 0.114489 O\n0.114489 0.504711 0.309317 O\n0.261763 0.915112 0.060196 O\n0.309317 0.114489 0.504711 O\n0.608876 0.807051 0.013275 O\n0.433861 0.584099 0.236769 O\n0.915112 0.060196 0.261763 O\n0.584099 0.236769 0.433861 O\n0.994965 0.388546 0.190375 O\n0.236769 0.433861 0.584099 O\n0.941245 0.738518 0.086861 O\n0.190375 0.994965 0.388546 O\n0.807051 0.013275 0.608876 O\n0.060196 0.261763 0.915112 O\n0.765434 0.561915 0.415274 O\n0.013275 0.608876 0.807051 O\n0.415274 0.765434 0.561915 O\n0.086861 0.941245 0.738518 O\n0.561915 0.415274 0.765434 O\n0.388546 0.190375 0.994965 O\n0.692709 0.886292 0.492927 O\n0.738518 0.086861 0.941245 O\n0.886292 0.492927 0.692709 O\n0.492927 0.692709 0.886292 O\n",
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"formula_full": "Fe3 Ni1 Sb2 P6 O24",
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{
"id": "mp-1214120",
"created_at": "2022-09-04T14:40:09.198253Z",
"structure_string": "Ca12 Si4 O26\n1.0\n5.090269 -8.816605 0.000000\n5.090269 8.816605 0.000000\n0.000000 0.000000 7.580399\nCa Si O\n12 4 26\ndirect\n0.666067 0.620940 0.621681 Ca\n0.954873 0.333933 0.621681 Ca\n0.379060 0.045127 0.621681 Ca\n0.333933 0.379060 0.378319 Ca\n0.045127 0.666067 0.378319 Ca\n0.620940 0.954873 0.378319 Ca\n0.334682 0.382062 0.870087 Ca\n0.047381 0.665318 0.870087 Ca\n0.617938 0.952619 0.870087 Ca\n0.382062 0.047381 0.129913 Ca\n0.665318 0.617938 0.129913 Ca\n0.952619 0.334682 0.129913 Ca\n0.333333 0.666667 0.655560 Si\n0.666667 0.333333 0.344440 Si\n0.333333 0.666667 0.094464 Si\n0.666667 0.333333 0.905536 Si\n0.412158 0.565347 0.147276 O\n0.153189 0.587842 0.147276 O\n0.434653 0.846811 0.147276 O\n0.586483 0.433058 0.396618 O\n0.846575 0.413517 0.396618 O\n0.566942 0.153425 0.396618 O\n0.413517 0.566942 0.603382 O\n0.153425 0.586483 0.603382 O\n0.433058 0.846575 0.603382 O\n0.235717 0.917419 0.880742 O\n0.681702 0.764283 0.880742 O\n0.082581 0.318298 0.880742 O\n0.228613 0.928016 0.369255 O\n0.699403 0.771387 0.369255 O\n0.071984 0.300597 0.369255 O\n0.318298 0.235717 0.119258 O\n0.917419 0.681702 0.119258 O\n0.764283 0.082581 0.119258 O\n0.333333 0.666667 0.874826 O\n0.666667 0.333333 0.125174 O\n0.300597 0.228613 0.630745 O\n0.928016 0.699403 0.630745 O\n0.771387 0.071984 0.630745 O\n0.587842 0.434653 0.852724 O\n0.846811 0.412158 0.852724 O\n0.565347 0.153189 0.852724 O\n",
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"formula_full": "Ca12 Si4 O26",
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{
"id": "mp-556508",
"created_at": "2022-09-04T14:40:09.199244Z",
"structure_string": "K16 Th2 Mo12 O48\n1.0\n10.506195 0.000000 0.000000\n4.982406 9.261686 0.000000\n1.762664 3.156900 14.303217\nK Th Mo O\n16 2 12 48\ndirect\n0.995365 0.355788 0.456583 K\n0.666320 0.504176 0.949826 K\n0.990436 0.154285 0.041340 K\n0.333680 0.495824 0.050174 K\n0.009564 0.845715 0.958660 K\n0.323740 0.982908 0.552818 K\n0.310890 0.205160 0.951488 K\n0.689110 0.794840 0.048512 K\n0.004635 0.644212 0.543417 K\n0.016328 0.248850 0.748060 K\n0.983672 0.751150 0.251940 K\n0.676260 0.017092 0.447182 K\n0.332977 0.576467 0.751591 K\n0.669353 0.321920 0.541393 K\n0.667023 0.423533 0.248409 K\n0.330647 0.678080 0.458607 K\n0.308563 0.068538 0.248797 Th\n0.691437 0.931462 0.751203 Th\n0.670462 0.111848 0.155905 Mo\n0.348363 0.270403 0.646556 Mo\n0.990709 0.949257 0.645529 Mo\n0.331035 0.390919 0.343108 Mo\n0.668965 0.609081 0.656892 Mo\n0.001560 0.446169 0.149658 Mo\n0.329538 0.888152 0.844095 Mo\n0.334237 0.803357 0.143676 Mo\n0.998440 0.553831 0.850342 Mo\n0.651637 0.729597 0.353444 Mo\n0.665763 0.196643 0.856324 Mo\n0.009291 0.050743 0.354471 Mo\n0.372024 0.432100 0.602271 O\n0.202460 0.281704 0.588241 O\n0.498630 0.099808 0.166073 O\n0.358821 0.706301 0.901211 O\n0.007422 0.616963 0.103479 O\n0.175192 0.807173 0.110135 O\n0.797540 0.718296 0.411759 O\n0.992578 0.383037 0.896521 O\n0.642493 0.509487 0.767415 O\n0.852843 0.193155 0.394918 O\n0.803736 0.983390 0.092260 O\n0.512544 0.096371 0.633538 O\n0.965730 0.429558 0.271260 O\n0.305696 0.257149 0.767359 O\n0.822841 0.482679 0.603008 O\n0.488909 0.321484 0.411093 O\n0.696480 0.764819 0.670752 O\n0.501370 0.900192 0.833927 O\n0.303520 0.235181 0.329248 O\n0.053248 0.093716 0.230764 O\n0.177159 0.517321 0.396992 O\n0.660793 0.196301 0.733041 O\n0.857699 0.448617 0.094268 O\n0.627976 0.567900 0.397729 O\n0.034270 0.570442 0.728740 O\n0.010854 0.876147 0.393850 O\n0.511091 0.678516 0.588907 O\n0.946752 0.906284 0.769236 O\n0.196264 0.016610 0.907740 O\n0.339207 0.803699 0.266959 O\n0.744004 0.071718 0.268067 O\n0.171380 0.038479 0.398011 O\n0.672176 0.015276 0.899777 O\n0.828620 0.961521 0.601989 O\n0.989146 0.123853 0.606150 O\n0.357507 0.490513 0.232585 O\n0.824808 0.192827 0.889865 O\n0.487456 0.903629 0.366462 O\n0.147157 0.806845 0.605082 O\n0.142301 0.551383 0.905732 O\n0.327824 0.984724 0.100223 O\n0.255996 0.928282 0.731933 O\n0.179882 0.289255 0.132244 O\n0.494877 0.668497 0.100718 O\n0.694304 0.742851 0.232641 O\n0.641179 0.293699 0.098789 O\n0.505123 0.331503 0.899282 O\n0.820118 0.710745 0.867756 O\n",
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