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{
"id": "mp-1225089",
"created_at": "2022-09-04T14:42:12.070483Z",
"structure_string": "Ga1 Fe2 Co4 Si1\n1.0\n6.656088 -2.007139 0.000000\n6.656088 2.007139 0.000000\n6.050837 0.000000 3.423374\nGa Fe Co Si\n1 2 4 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.251042 0.251042 0.251042 Fe\n0.748958 0.748958 0.748958 Fe\n0.871463 0.871463 0.871463 Co\n0.378790 0.378790 0.378790 Co\n0.128537 0.128537 0.128537 Co\n0.621210 0.621210 0.621210 Co\n0.500000 0.500000 0.500000 Si\n",
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{
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"formula_full": "Li14 I2 N4",
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{
"id": "mp-1182855",
"created_at": "2022-09-04T14:42:12.100048Z",
"structure_string": "Ce4 Cu16 Sn4\n1.0\n5.131322 0.000000 0.000000\n0.000000 7.303367 0.000000\n0.000000 0.000000 11.055656\nCe Cu Sn\n4 16 4\ndirect\n0.161905 0.678306 0.993299 Ce\n0.661905 0.321694 0.506701 Ce\n0.338095 0.178306 0.006701 Ce\n0.838095 0.821694 0.493299 Ce\n0.068403 0.958100 0.803845 Cu\n0.931597 0.541900 0.303845 Cu\n0.568403 0.041900 0.696155 Cu\n0.853738 0.638805 0.748190 Cu\n0.611845 0.859069 0.884572 Cu\n0.858035 0.027160 0.040102 Cu\n0.353738 0.361195 0.751810 Cu\n0.141965 0.472840 0.540102 Cu\n0.388155 0.640931 0.384572 Cu\n0.641965 0.527160 0.959898 Cu\n0.646262 0.138805 0.251810 Cu\n0.146262 0.861195 0.248190 Cu\n0.358034 0.972840 0.459898 Cu\n0.431597 0.458100 0.196155 Cu\n0.888155 0.359069 0.115428 Cu\n0.111845 0.140931 0.615428 Cu\n0.636611 0.789847 0.182395 Sn\n0.363389 0.710153 0.682395 Sn\n0.136611 0.210153 0.317605 Sn\n0.863389 0.289847 0.817605 Sn\n",
"nsites": 24,
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"elements": [
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"volume": 414.32096560838994,
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"formula_full": "Ce4 Cu16 Sn4",
"formula_reduced": "CeCu4Sn",
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},
{
"id": "mp-1522181",
"created_at": "2022-09-04T14:42:12.103974Z",
"structure_string": "Na1 La1 Se4 O12\n1.0\n0.000000 -3.703474 -4.915947\n0.000000 -3.703474 4.915947\n-7.408508 0.000000 0.000000\nNa La Se O\n1 1 4 12\ndirect\n0.978505 0.021495 0.500000 Na\n0.432576 0.567424 -0.000000 La\n0.474977 0.052080 0.254485 Se\n0.474977 0.052080 0.745515 Se\n0.947920 0.525023 0.745515 Se\n0.947920 0.525023 0.254485 Se\n0.333080 0.247395 0.235564 O\n0.752605 0.666920 0.235564 O\n0.752605 0.666920 0.764436 O\n0.333080 0.247395 0.764436 O\n0.242761 0.757239 0.216268 O\n0.780724 0.219276 0.282878 O\n0.780724 0.219276 0.717122 O\n0.242761 0.757239 0.783732 O\n0.538914 -0.003702 -0.000000 O\n0.443910 0.971742 0.500000 O\n0.003702 0.461086 -0.000000 O\n0.028258 0.556090 0.500000 O\n",
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"formula_full": "Na1 La1 Se4 O12",
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"spacegroup": 38
},
{
"id": "mp-1179154",
"created_at": "2022-09-04T14:42:12.193244Z",
"structure_string": "Tl8 O8\n1.0\n2.420599 2.631846 -0.317983\n-2.420599 2.631846 0.317983\n-1.945690 0.000000 22.217993\nTl O\n8 8\ndirect\n0.053097 0.673061 0.939337 Tl\n0.673061 0.053097 0.060663 Tl\n0.339160 0.722178 0.560744 Tl\n0.722178 0.339160 0.439256 Tl\n0.027976 0.908687 0.811568 Tl\n0.908687 0.027976 0.188432 Tl\n0.412050 0.526870 0.690338 Tl\n0.526870 0.412050 0.309662 Tl\n0.877111 0.952267 0.710526 O\n0.952267 0.877111 0.289474 O\n0.447550 0.363102 0.791349 O\n0.363102 0.447550 0.208651 O\n0.758547 0.179852 0.540649 O\n0.179852 0.758547 0.459351 O\n0.640056 0.219037 0.959481 O\n0.219037 0.640056 0.040519 O\n",
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"formula_full": "Tl8 O8",
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{
"id": "mp-776757",
"created_at": "2022-09-04T14:42:10.428541Z",
"structure_string": "Li4 Co2 Ni3 Sn1 P6 O24\n1.0\n8.407678 0.000000 0.000000\n3.855166 7.591995 0.000000\n3.851370 2.423031 7.196681\nLi Co Ni Sn P O\n4 2 3 1 6 24\ndirect\n0.746667 0.147904 0.352083 Li\n0.294949 0.844388 0.640174 Li\n0.636179 0.294664 0.848210 Li\n0.848948 0.636940 0.297863 Li\n0.016581 0.001162 0.998814 Co\n0.487749 0.503463 0.498840 Co\n0.142939 0.147563 0.145081 Ni\n0.355639 0.355867 0.352533 Ni\n0.646089 0.646847 0.650180 Ni\n0.852756 0.847924 0.851913 Sn\n0.250437 0.542824 0.953508 P\n0.551568 0.954290 0.251668 P\n0.944876 0.248309 0.542910 P\n0.057041 0.744683 0.440883 P\n0.439217 0.055365 0.747438 P\n0.746287 0.440803 0.054433 P\n0.109895 0.303665 0.498552 O\n0.314107 0.515175 0.105643 O\n0.056394 0.910463 0.257832 O\n0.545309 0.101911 0.309861 O\n0.021158 0.809698 0.603222 O\n0.251283 0.595862 0.427289 O\n0.248622 0.075514 0.901785 O\n0.446351 0.240596 0.586396 O\n0.173022 0.398351 0.987629 O\n0.599497 0.424584 0.250727 O\n0.100453 0.752075 0.919518 O\n0.393459 0.004575 0.183727 O\n0.600458 0.015656 0.819508 O\n0.898214 0.246822 0.076967 O\n0.404906 0.565332 0.754921 O\n0.812667 0.601042 0.020638 O\n0.565184 0.757073 0.407492 O\n0.757587 0.915321 0.098751 O\n0.748782 0.406142 0.569978 O\n0.956295 0.178209 0.401855 O\n0.475800 0.895927 0.686029 O\n0.921424 0.096601 0.749889 O\n0.682618 0.477186 0.896581 O\n0.898585 0.676218 0.481678 O\n",
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"formula_full": "Li4 Co2 Ni3 Sn1 P6 O24",
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{
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"structure_string": "Rb4 Sr4 P12 H24 O48\n1.0\n8.262353 0.000000 0.000000\n0.000000 9.277802 0.000000\n0.000000 0.000000 15.481220\nRb Sr P H O\n4 4 12 24 48\ndirect\n0.250000 0.401578 0.805892 Rb\n0.250000 0.901578 0.694108 Rb\n0.750000 0.598422 0.194108 Rb\n0.750000 0.098422 0.305892 Rb\n0.250000 0.594320 0.475302 Sr\n0.250000 0.094320 0.024698 Sr\n0.750000 0.405680 0.524698 Sr\n0.750000 0.905680 0.975302 Sr\n0.250000 0.989295 0.435363 P\n0.250000 0.489295 0.064637 P\n0.750000 0.010705 0.564637 P\n0.750000 0.510705 0.935363 P\n0.075174 0.824210 0.306465 P\n0.424826 0.324210 0.193535 P\n0.575174 0.175790 0.693535 P\n0.924826 0.675790 0.806465 P\n0.924826 0.175790 0.693535 P\n0.575174 0.675790 0.806465 P\n0.424826 0.824210 0.306465 P\n0.075174 0.324210 0.193535 P\n0.011600 0.876890 0.127056 H\n0.488400 0.376890 0.372944 H\n0.511600 0.123110 0.872944 H\n0.988400 0.623110 0.627056 H\n0.988400 0.123110 0.872944 H\n0.511600 0.623110 0.627056 H\n0.488400 0.876890 0.127056 H\n0.011600 0.376890 0.372944 H\n0.098792 0.783323 0.055896 H\n0.401208 0.283323 0.444104 H\n0.598792 0.216677 0.944104 H\n0.901208 0.716677 0.555896 H\n0.901208 0.216677 0.944104 H\n0.598792 0.716677 0.555896 H\n0.401208 0.783323 0.055896 H\n0.098792 0.283323 0.444104 H\n0.152302 0.868195 0.888812 H\n0.347698 0.368195 0.611188 H\n0.652302 0.131805 0.111188 H\n0.847698 0.631805 0.388812 H\n0.847698 0.131805 0.111188 H\n0.652302 0.631805 0.388812 H\n0.347698 0.868195 0.888812 H\n0.152302 0.368195 0.611188 H\n0.250000 0.817250 0.258433 O\n0.250000 0.317250 0.241567 O\n0.750000 0.182750 0.741567 O\n0.750000 0.682750 0.758433 O\n0.052564 0.692725 0.362146 O\n0.447436 0.192725 0.137854 O\n0.552564 0.307275 0.637854 O\n0.947436 0.807275 0.862146 O\n0.947436 0.307275 0.637854 O\n0.552564 0.807275 0.862146 O\n0.447436 0.692725 0.362146 O\n0.052564 0.192725 0.137854 O\n0.548198 0.858425 0.238966 O\n0.951802 0.358425 0.261034 O\n0.048198 0.141575 0.761034 O\n0.451802 0.641575 0.738966 O\n0.451802 0.141575 0.761034 O\n0.048198 0.641575 0.738966 O\n0.951802 0.858425 0.238966 O\n0.548198 0.358425 0.261034 O\n0.097377 0.966164 0.368174 O\n0.402623 0.466164 0.131826 O\n0.597377 0.033836 0.631826 O\n0.902623 0.533836 0.868174 O\n0.902623 0.033836 0.631826 O\n0.597377 0.533836 0.868174 O\n0.402623 0.966164 0.368174 O\n0.097377 0.466164 0.131826 O\n0.250000 0.371282 0.998249 O\n0.250000 0.871282 0.501751 O\n0.750000 0.628718 0.001751 O\n0.750000 0.128718 0.498249 O\n0.250000 0.644005 0.037763 O\n0.250000 0.144005 0.462237 O\n0.750000 0.355995 0.962237 O\n0.750000 0.855995 0.537763 O\n0.037894 0.874558 0.064505 O\n0.462106 0.374558 0.435495 O\n0.537894 0.125442 0.935495 O\n0.962106 0.625442 0.564505 O\n0.962106 0.125442 0.935495 O\n0.537894 0.625442 0.564505 O\n0.462106 0.874558 0.064505 O\n0.037894 0.374558 0.435495 O\n0.250000 0.928602 0.895426 O\n0.250000 0.428602 0.604574 O\n0.750000 0.071398 0.104574 O\n0.750000 0.571398 0.395426 O\n",
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{
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{
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"structure_string": "Ce1 Cd1 Hg2\n1.0\n0.000000 3.688031 3.688031\n3.688031 0.000000 3.688031\n3.688031 3.688031 0.000000\nCe Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
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]
}