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{
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{
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{
"id": "mp-13452",
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{
"id": "mp-999052",
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"structure_string": "Ti2 Mn1 Al1\n1.0\n0.000000 3.123795 3.123795\n3.123795 0.000000 3.123795\n3.123795 3.123795 0.000000\nTi Mn Al\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Ti\n0.500000 0.500000 0.500000 Mn\n0.750000 0.750000 0.750000 Al\n",
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"formula_full": "Ti2 Mn1 Al1",
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{
"id": "mp-1184175",
"created_at": "2022-09-04T14:45:26.715272Z",
"structure_string": "Er2 As6\n1.0\n2.991277 -5.181044 0.000000\n2.991277 5.181044 0.000000\n0.000000 0.000000 5.467685\nEr As\n2 6\ndirect\n0.333333 0.666667 0.750000 Er\n0.666667 0.333333 0.250000 Er\n0.181638 0.363276 0.250000 As\n0.636724 0.818362 0.250000 As\n0.181638 0.818362 0.250000 As\n0.818362 0.636724 0.750000 As\n0.363276 0.181638 0.750000 As\n0.818362 0.181638 0.750000 As\n",
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{
"id": "mp-759602",
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"structure_string": "Sb16 O20 F8\n1.0\n5.622155 0.000000 0.000000\n0.000000 10.940878 0.000000\n0.000000 2.002450 13.986499\nSb O F\n16 20 8\ndirect\n0.638100 0.604618 0.039759 Sb\n0.678702 0.267122 0.093080 Sb\n0.270878 0.792696 0.179274 Sb\n0.171530 0.416892 0.225575 Sb\n0.230017 0.098827 0.295644 Sb\n0.767277 0.643538 0.309974 Sb\n0.681927 0.302434 0.372613 Sb\n0.729075 0.934123 0.424120 Sb\n0.229075 0.065877 0.575880 Sb\n0.181927 0.697566 0.627387 Sb\n0.267277 0.356462 0.690026 Sb\n0.730017 0.901173 0.704356 Sb\n0.671530 0.583108 0.774425 Sb\n0.770878 0.207304 0.820726 Sb\n0.178702 0.732878 0.906920 Sb\n0.138100 0.395382 0.960241 Sb\n0.311384 0.696812 0.044500 O\n0.998231 0.392227 0.100006 O\n0.492967 0.428539 0.079450 O\n0.008872 0.674122 0.207734 O\n0.520765 0.662828 0.209126 O\n0.010331 0.254453 0.288400 O\n0.464160 0.268218 0.263799 O\n0.815269 0.463498 0.294662 O\n0.020941 0.039926 0.414094 O\n0.499996 0.075407 0.396094 O\n0.999996 0.924593 0.603906 O\n0.520941 0.960074 0.585906 O\n0.315269 0.536502 0.705338 O\n0.964160 0.731782 0.736201 O\n0.510331 0.745547 0.711600 O\n0.020765 0.337172 0.790874 O\n0.508872 0.325878 0.792266 O\n0.992967 0.571461 0.920550 O\n0.498231 0.607773 0.899994 O\n0.811384 0.303188 0.955500 O\n0.361415 0.197846 0.042913 F\n0.753011 0.920294 0.281037 F\n0.279769 0.809247 0.323953 F\n0.407700 0.418428 0.404621 F\n0.907700 0.581572 0.595379 F\n0.779769 0.190753 0.676047 F\n0.253011 0.079706 0.718963 F\n0.861415 0.802154 0.957087 F\n",
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{
"id": "mp-1074475",
"created_at": "2022-09-04T14:44:41.072172Z",
"structure_string": "Mg8 Si6\n1.0\n6.109395 0.000000 0.000000\n-1.545382 6.823558 0.000000\n-2.006925 -3.320560 6.413783\nMg Si\n8 6\ndirect\n0.567905 0.256740 0.168637 Mg\n0.871870 0.143858 0.914128 Mg\n0.824321 0.665251 0.611452 Mg\n0.752331 0.908261 0.293959 Mg\n0.432095 0.743260 0.831363 Mg\n0.128130 0.856142 0.085872 Mg\n0.247669 0.091739 0.706041 Mg\n0.175679 0.334749 0.388548 Mg\n0.683048 0.477973 0.908476 Si\n0.455972 0.816722 0.495637 Si\n0.007772 0.629583 0.295662 Si\n0.992228 0.370417 0.704338 Si\n0.316952 0.522027 0.091524 Si\n0.544028 0.183278 0.504363 Si\n",
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"formula_full": "Mg8 Si6",
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{
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"structure_string": "Ti12 O24\n1.0\n3.010424 -5.214208 0.000000\n3.010424 5.214208 0.000000\n0.000000 0.000000 14.784196\nTi O\n12 24\ndirect\n0.977921 0.488961 0.163726 Ti\n0.170947 0.829053 0.494184 Ti\n0.333333 0.666667 0.318480 Ti\n0.511039 0.022079 0.163726 Ti\n0.658106 0.829053 0.494184 Ti\n0.511039 0.488961 0.163726 Ti\n0.000000 0.000000 0.652362 Ti\n0.170947 0.341894 0.494184 Ti\n0.323108 0.161554 0.831303 Ti\n0.838446 0.676892 0.831303 Ti\n0.838446 0.161554 0.831303 Ti\n0.333333 0.666667 0.955250 Ti\n0.356971 0.178485 0.104301 O\n0.821515 0.643029 0.104301 O\n0.666667 0.333333 0.237782 O\n0.821515 0.178485 0.104301 O\n0.037780 0.518890 0.426881 O\n0.191068 0.808932 0.245917 O\n0.333333 0.666667 0.082773 O\n0.191068 0.382136 0.245917 O\n0.481110 0.962220 0.426881 O\n0.333333 0.666667 0.566580 O\n0.481110 0.518890 0.426881 O\n0.617864 0.808932 0.245917 O\n0.713191 0.856595 0.759374 O\n0.855441 0.144559 0.580023 O\n0.000000 0.000000 0.434598 O\n0.855441 0.710882 0.580023 O\n0.000000 0.000000 0.902885 O\n0.143405 0.286809 0.759374 O\n0.143405 0.856595 0.759374 O\n0.289118 0.144559 0.580023 O\n0.494401 0.505599 0.903499 O\n0.494401 0.988802 0.903499 O\n0.666667 0.333333 0.775685 O\n0.011198 0.505599 0.903499 O\n",
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"structure_string": "Ta24 Si8\n1.0\n10.233559 0.000000 0.000000\n0.000000 10.233559 0.000000\n0.000000 0.000000 5.215387\nTa Si\n24 8\ndirect\n0.517495 0.646408 0.273098 Ta\n0.400444 0.085842 0.029468 Ta\n0.713338 0.812143 0.513063 Ta\n0.900444 0.585842 0.470532 Ta\n0.853592 0.017495 0.773098 Ta\n0.017495 0.146408 0.226902 Ta\n0.786662 0.687857 0.986937 Ta\n0.286662 0.187857 0.513063 Ta\n0.687857 0.213338 0.013063 Ta\n0.414158 0.900444 0.529468 Ta\n0.812143 0.286662 0.486937 Ta\n0.353592 0.517495 0.726902 Ta\n0.646408 0.482505 0.726902 Ta\n0.146408 0.982505 0.773098 Ta\n0.213338 0.312143 0.986937 Ta\n0.914158 0.400444 0.970532 Ta\n0.312143 0.786662 0.013063 Ta\n0.599556 0.914158 0.029468 Ta\n0.085842 0.599556 0.970532 Ta\n0.099556 0.414158 0.470532 Ta\n0.982505 0.853592 0.226902 Ta\n0.187857 0.713338 0.486937 Ta\n0.482505 0.353592 0.273098 Ta\n0.585842 0.099556 0.529468 Ta\n0.970885 0.794818 0.720646 Si\n0.205182 0.970885 0.279354 Si\n0.794818 0.029115 0.279354 Si\n0.470885 0.294818 0.779354 Si\n0.294818 0.529115 0.220646 Si\n0.029115 0.205182 0.720646 Si\n0.705182 0.470885 0.220646 Si\n0.529115 0.705182 0.779354 Si\n",
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"formula_full": "Li4 Ti8 V12 O48",
"formula_reduced": "LiTi2V3O12",
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},
{
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"created_at": "2022-09-04T14:45:18.055965Z",
"structure_string": "K2 Li1 In1 Cl6\n1.0\n0.000000 5.115235 5.115235\n5.115235 0.000000 5.115235\n5.115235 5.115235 0.000000\nK Li In Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 In\n0.751796 0.248204 0.248204 Cl\n0.248204 0.248204 0.751795 Cl\n0.248204 0.751795 0.751795 Cl\n0.248204 0.751796 0.248204 Cl\n0.751796 0.248204 0.751796 Cl\n0.751796 0.751796 0.248204 Cl\n",
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"formula_full": "K2 Li1 In1 Cl6",
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},
{
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"created_at": "2022-09-04T14:43:40.566974Z",
"structure_string": "Rb2 Sm2 Mo4 O16\n1.0\n5.332841 5.454569 0.000000\n-5.332841 5.454569 0.000000\n0.000000 5.171618 5.909968\nRb Sm Mo O\n2 2 4 16\ndirect\n0.199306 0.800694 0.750000 Rb\n0.800694 0.199306 0.250000 Rb\n0.770273 0.229727 0.750000 Sm\n0.229727 0.770273 0.250000 Sm\n0.693862 0.695859 0.762245 Mo\n0.306138 0.304141 0.237755 Mo\n0.304141 0.306138 0.737755 Mo\n0.695859 0.693862 0.262245 Mo\n0.615942 0.764174 0.562895 O\n0.384058 0.235826 0.437105 O\n0.235826 0.384058 0.937105 O\n0.764174 0.615942 0.062895 O\n0.384203 0.072003 0.870979 O\n0.615797 0.927997 0.129021 O\n0.927997 0.615797 0.629021 O\n0.072003 0.384203 0.370979 O\n0.582385 0.368692 0.972941 O\n0.417615 0.631308 0.027059 O\n0.631308 0.417615 0.527059 O\n0.368692 0.582385 0.472941 O\n0.792882 0.948221 0.691782 O\n0.207118 0.051779 0.308218 O\n0.051779 0.207118 0.808218 O\n0.948221 0.792882 0.191782 O\n",
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}