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{
"id": "mp-1219631",
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"structure_string": "Rb4 Ta4 Ti4 O20\n1.0\n3.841445 0.000000 0.000000\n0.000000 6.546564 0.000000\n0.000000 0.000000 19.326361\nRb Ta Ti O\n4 4 4 20\ndirect\n0.250000 0.796549 0.195859 Rb\n0.250000 0.296549 0.304141 Rb\n0.750000 0.203451 0.804141 Rb\n0.750000 0.703451 0.695859 Rb\n0.250000 0.769214 0.895267 Ta\n0.250000 0.269214 0.604733 Ta\n0.750000 0.230786 0.104733 Ta\n0.750000 0.730786 0.395267 Ta\n0.250000 0.314389 0.966287 Ti\n0.250000 0.814389 0.533713 Ti\n0.750000 0.685611 0.033713 Ti\n0.750000 0.185611 0.466287 Ti\n0.250000 0.064712 0.927729 O\n0.250000 0.564712 0.572271 O\n0.750000 0.935288 0.072271 O\n0.750000 0.435288 0.427729 O\n0.250000 0.464763 0.885236 O\n0.250000 0.964763 0.614764 O\n0.750000 0.535237 0.114764 O\n0.750000 0.035237 0.385236 O\n0.250000 0.237928 0.077092 O\n0.250000 0.737928 0.422908 O\n0.750000 0.762072 0.922908 O\n0.750000 0.262072 0.577092 O\n0.250000 0.650308 0.008831 O\n0.250000 0.150308 0.491169 O\n0.750000 0.349692 0.991169 O\n0.750000 0.849692 0.508831 O\n0.250000 0.827988 0.803620 O\n0.250000 0.327988 0.696380 O\n0.750000 0.172012 0.196380 O\n0.750000 0.672012 0.303620 O\n",
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{
"id": "mp-570566",
"created_at": "2022-09-04T14:44:18.847061Z",
"structure_string": "Rb20 Ta4 Tl8 As16\n1.0\n8.020344 0.000000 0.000000\n0.000000 11.257784 0.000000\n0.000000 0.000000 19.487843\nRb Ta Tl As\n20 4 8 16\ndirect\n0.893275 0.750000 0.477853 Rb\n0.692796 0.024644 0.578084 Rb\n0.480109 0.945091 0.748505 Rb\n0.980109 0.054909 0.751495 Rb\n0.019891 0.945091 0.248505 Rb\n0.980109 0.445091 0.751495 Rb\n0.106725 0.250000 0.522147 Rb\n0.807204 0.475356 0.078084 Rb\n0.519891 0.054909 0.251495 Rb\n0.692796 0.475356 0.578084 Rb\n0.307204 0.524644 0.421916 Rb\n0.393275 0.250000 0.022147 Rb\n0.307204 0.975356 0.421916 Rb\n0.519891 0.445091 0.251495 Rb\n0.606725 0.750000 0.977853 Rb\n0.192796 0.524644 0.921916 Rb\n0.807204 0.024644 0.078084 Rb\n0.480109 0.554909 0.748505 Rb\n0.192796 0.975356 0.921916 Rb\n0.019891 0.554909 0.248505 Rb\n0.417316 0.750000 0.163119 Ta\n0.582684 0.250000 0.836881 Ta\n0.917316 0.250000 0.336881 Ta\n0.082684 0.750000 0.663119 Ta\n0.673931 0.750000 0.312602 Tl\n0.417560 0.750000 0.554473 Tl\n0.917560 0.250000 0.945527 Tl\n0.582440 0.250000 0.445527 Tl\n0.326069 0.250000 0.687398 Tl\n0.826069 0.750000 0.812602 Tl\n0.082440 0.750000 0.054473 Tl\n0.173931 0.250000 0.187398 Tl\n0.195552 0.930424 0.602608 As\n0.167831 0.750000 0.788748 As\n0.332169 0.750000 0.288748 As\n0.304448 0.930424 0.102608 As\n0.771244 0.750000 0.663876 As\n0.304448 0.569576 0.102608 As\n0.804448 0.069576 0.397392 As\n0.228756 0.250000 0.336124 As\n0.804448 0.430424 0.397392 As\n0.832169 0.250000 0.211252 As\n0.695552 0.069576 0.897392 As\n0.728756 0.750000 0.163876 As\n0.667831 0.250000 0.711252 As\n0.271244 0.250000 0.836124 As\n0.195552 0.569576 0.602608 As\n0.695552 0.430424 0.897392 As\n",
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"formula_full": "Rb20 Ta4 Tl8 As16",
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"updated_at": "2021-11-28T01:36:33.522000Z",
"spacegroup": 62
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{
"id": "mp-1113852",
"created_at": "2022-09-04T14:42:45.083196Z",
"structure_string": "Rb2 Ta1 Tl1 F6\n1.0\n0.000000 4.800600 4.800600\n4.800600 0.000000 4.800600\n4.800600 4.800600 0.000000\nRb Ta Tl F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Tl\n0.785349 0.214651 0.214651 F\n0.214651 0.214651 0.785349 F\n0.214651 0.785349 0.785349 F\n0.214651 0.785349 0.214651 F\n0.785349 0.214651 0.785349 F\n0.785349 0.785349 0.214651 F\n",
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"elements": [
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"density": 5.030069976415272,
"density_atomic": 0.04519427687945205,
"volume": 221.26695436843204,
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"formula_full": "Rb2 Ta1 Tl1 F6",
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"updated_at": "2021-11-28T01:35:56.943000Z",
"spacegroup": 225
},
{
"id": "mp-1194597",
"created_at": "2022-09-04T14:44:44.777064Z",
"structure_string": "Rb4 Ta4 V8 O32\n1.0\n5.686335 0.000000 0.000000\n0.000000 9.209233 0.000000\n0.000000 0.000000 15.202708\nRb Ta V O\n4 4 8 32\ndirect\n0.250000 0.447543 0.613794 Rb\n0.250000 0.052457 0.113794 Rb\n0.750000 0.552457 0.386206 Rb\n0.750000 0.947543 0.886206 Rb\n0.250000 0.995961 0.658789 Ta\n0.250000 0.504039 0.158789 Ta\n0.750000 0.004039 0.341211 Ta\n0.750000 0.495961 0.841211 Ta\n0.250000 0.247359 0.837926 V\n0.250000 0.252641 0.337926 V\n0.750000 0.752641 0.162074 V\n0.750000 0.747359 0.662074 V\n0.250000 0.819366 0.438359 V\n0.250000 0.680634 0.938359 V\n0.750000 0.180634 0.561641 V\n0.750000 0.319366 0.061641 V\n0.997289 0.350809 0.809392 O\n0.502711 0.149191 0.309392 O\n0.497289 0.649191 0.190608 O\n0.002711 0.850809 0.690608 O\n0.002711 0.649191 0.190608 O\n0.497289 0.850809 0.690608 O\n0.502711 0.350809 0.809392 O\n0.997289 0.149191 0.309392 O\n0.996125 0.861326 0.374489 O\n0.503875 0.638674 0.874489 O\n0.496125 0.138674 0.625511 O\n0.003875 0.361326 0.125511 O\n0.003875 0.138674 0.625511 O\n0.496125 0.361326 0.125511 O\n0.503875 0.861326 0.374489 O\n0.996125 0.638674 0.874489 O\n0.250000 0.077205 0.780389 O\n0.250000 0.422795 0.280389 O\n0.750000 0.922795 0.219611 O\n0.750000 0.577205 0.719611 O\n0.250000 0.921027 0.536666 O\n0.250000 0.578973 0.036666 O\n0.750000 0.078973 0.463334 O\n0.750000 0.421027 0.963334 O\n0.250000 0.213705 0.943932 O\n0.250000 0.286295 0.443932 O\n0.750000 0.786295 0.056068 O\n0.750000 0.713705 0.556068 O\n0.250000 0.643465 0.459589 O\n0.250000 0.856535 0.959589 O\n0.750000 0.356535 0.540411 O\n0.750000 0.143465 0.040411 O\n",
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],
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"formula_full": "Rb4 Ta4 V8 O32",
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"updated_at": "2021-11-28T01:36:44.061000Z",
"spacegroup": 62
},
{
"id": "mp-1111724",
"created_at": "2022-09-04T14:47:10.359920Z",
"structure_string": "Rb2 Tb1 Ag1 Cl6\n1.0\n0.000000 5.399203 5.399203\n5.399203 0.000000 5.399203\n5.399203 5.399203 0.000000\nRb Tb Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Ag\n0.754825 0.245175 0.245175 Cl\n0.245175 0.245175 0.754825 Cl\n0.245175 0.754825 0.754825 Cl\n0.245175 0.754825 0.245175 Cl\n0.754825 0.245175 0.754825 Cl\n0.754825 0.754825 0.245175 Cl\n",
"nsites": 10,
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"elements": [
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],
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"density_atomic": 0.03176735344305289,
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"formula_full": "Rb2 Tb1 Ag1 Cl6",
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},
{
"id": "mp-1190149",
"created_at": "2022-09-04T14:41:17.478619Z",
"structure_string": "Rb2 Tb4 Ag6 Te10\n1.0\n4.589617 0.000000 0.000000\n-2.294809 8.156025 0.000000\n0.000000 0.000000 18.543275\nRb Tb Ag Te\n2 4 6 10\ndirect\n0.442302 0.884604 0.250000 Rb\n0.557698 0.115396 0.750000 Rb\n0.309191 0.618381 0.905551 Tb\n0.690809 0.381619 0.094449 Tb\n0.309191 0.618381 0.594449 Tb\n0.690809 0.381619 0.405551 Tb\n0.163774 0.327547 0.250000 Ag\n0.836226 0.672453 0.750000 Ag\n0.915206 0.830412 0.469015 Ag\n0.084794 0.169588 0.530985 Ag\n0.915206 0.830412 0.030985 Ag\n0.084794 0.169588 0.969015 Ag\n0.937811 0.875621 0.878379 Te\n0.062189 0.124379 0.121621 Te\n0.937811 0.875621 0.621621 Te\n0.062189 0.124379 0.378379 Te\n0.676118 0.352237 0.927555 Te\n0.323882 0.647763 0.072445 Te\n0.676118 0.352237 0.572445 Te\n0.323882 0.647763 0.427555 Te\n0.760553 0.521107 0.250000 Te\n0.239447 0.478893 0.750000 Te\n",
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},
{
"id": "mp-559737",
"created_at": "2022-09-04T14:45:16.816880Z",
"structure_string": "Rb4 Tb6 Al2 F32\n1.0\n3.905407 -6.764363 0.000000\n3.905407 6.764363 0.000000\n0.000000 0.000000 12.765746\nRb Tb Al F\n4 6 2 32\ndirect\n0.333333 0.666667 0.435792 Rb\n0.666667 0.333333 0.564208 Rb\n0.666667 0.333333 0.935792 Rb\n0.333333 0.666667 0.064208 Rb\n0.167180 0.832820 0.750000 Tb\n0.832820 0.167180 0.250000 Tb\n0.167180 0.334359 0.750000 Tb\n0.334359 0.167180 0.250000 Tb\n0.665641 0.832820 0.750000 Tb\n0.832820 0.665641 0.250000 Tb\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.182686 0.817314 0.250000 F\n0.549924 0.099848 0.154309 F\n0.099848 0.549924 0.654309 F\n0.224234 0.112117 0.079852 F\n0.224234 0.112117 0.420148 F\n0.182686 0.365373 0.250000 F\n0.450076 0.900152 0.654309 F\n0.549924 0.450076 0.345691 F\n0.112117 0.224234 0.579852 F\n0.775766 0.887883 0.579852 F\n0.817314 0.182686 0.750000 F\n0.887883 0.112117 0.420148 F\n0.549924 0.099848 0.345691 F\n0.900152 0.450076 0.345691 F\n0.112117 0.887883 0.579852 F\n0.112117 0.887883 0.920148 F\n0.634627 0.817314 0.250000 F\n0.900152 0.450076 0.154309 F\n0.775766 0.887883 0.920148 F\n0.112117 0.224234 0.920148 F\n0.450076 0.549924 0.845691 F\n0.887883 0.775766 0.079852 F\n0.099848 0.549924 0.845691 F\n0.450076 0.900152 0.845691 F\n0.450076 0.549924 0.654309 F\n0.365373 0.182686 0.750000 F\n0.887883 0.112117 0.079852 F\n0.549924 0.450076 0.154309 F\n0.817314 0.634627 0.750000 F\n0.000000 0.000000 0.750000 F\n0.887883 0.775766 0.420148 F\n0.000000 0.000000 0.250000 F\n",
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},
{
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"structure_string": "Rb4 Tb6 Al2 F32\n1.0\n3.785547 -6.556760 0.000000\n3.785547 6.556760 0.000000\n0.000000 0.000000 13.118971\nRb Tb Al F\n4 6 2 32\ndirect\n0.333333 0.666667 0.441198 Rb\n0.666667 0.333333 0.558802 Rb\n0.666667 0.333333 0.941198 Rb\n0.333333 0.666667 0.058802 Rb\n0.172016 0.827984 0.750000 Tb\n0.827984 0.172016 0.250000 Tb\n0.172016 0.344031 0.750000 Tb\n0.344031 0.172016 0.250000 Tb\n0.655969 0.827984 0.750000 Tb\n0.827984 0.655969 0.250000 Tb\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.188451 0.811549 0.250000 F\n0.885820 0.771641 0.578830 F\n0.449077 0.550923 0.652594 F\n0.114180 0.228359 0.078830 F\n0.114180 0.228359 0.421170 F\n0.376902 0.188451 0.750000 F\n0.000000 0.000000 0.250000 F\n0.771641 0.885820 0.421170 F\n0.101846 0.550923 0.652594 F\n0.449077 0.898154 0.652594 F\n0.228359 0.114180 0.578830 F\n0.811549 0.188451 0.750000 F\n0.550923 0.101846 0.347406 F\n0.771641 0.885820 0.078830 F\n0.885820 0.114180 0.921170 F\n0.885820 0.114180 0.578830 F\n0.623098 0.811549 0.250000 F\n0.550923 0.101846 0.152594 F\n0.114180 0.885820 0.421170 F\n0.114180 0.885820 0.078830 F\n0.898154 0.449077 0.347406 F\n0.550923 0.449077 0.347406 F\n0.228359 0.114180 0.921170 F\n0.898154 0.449077 0.152594 F\n0.101846 0.550923 0.847406 F\n0.449077 0.898154 0.847406 F\n0.188451 0.376902 0.250000 F\n0.449077 0.550923 0.847406 F\n0.885820 0.771641 0.921170 F\n0.811549 0.623098 0.750000 F\n0.000000 0.000000 0.750000 F\n0.550923 0.449077 0.152594 F\n",
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{
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{
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{
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},
{
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"structure_string": "Rb4 Tb4 P8 O28\n1.0\n-7.621926 0.000000 2.079263\n0.039716 0.000000 -8.856638\n0.000000 -11.135928 0.000000\nRb Tb P O\n4 4 8 28\ndirect\n0.818466 0.943542 0.317981 Rb\n0.181534 0.056458 0.682019 Rb\n0.181534 0.556458 0.817981 Rb\n0.818466 0.443542 0.182019 Rb\n0.761977 0.742530 0.900685 Tb\n0.238023 0.257470 0.099315 Tb\n0.238023 0.757470 0.400685 Tb\n0.761977 0.242530 0.599315 Tb\n0.566760 0.808222 0.633164 P\n0.433240 0.191778 0.366836 P\n0.433240 0.691778 0.133164 P\n0.566760 0.308222 0.866836 P\n0.867546 0.676953 0.598200 P\n0.132454 0.323047 0.401800 P\n0.132454 0.823047 0.098200 P\n0.867546 0.176953 0.901800 P\n0.385550 0.765670 0.574322 O\n0.614450 0.234330 0.425678 O\n0.614450 0.734330 0.074322 O\n0.385550 0.265670 0.925678 O\n0.918640 0.741506 0.725172 O\n0.081360 0.258494 0.274828 O\n0.081360 0.758494 0.225172 O\n0.918640 0.241506 0.774828 O\n0.552520 0.761099 0.765841 O\n0.447480 0.238901 0.234159 O\n0.447480 0.738901 0.265841 O\n0.552520 0.261099 0.734159 O\n0.670723 0.977404 0.608293 O\n0.329277 0.022596 0.391707 O\n0.329277 0.522596 0.108293 O\n0.670723 0.477404 0.891707 O\n0.849703 0.002111 0.909985 O\n0.150297 0.997889 0.090015 O\n0.150297 0.497889 0.409985 O\n0.849703 0.502111 0.590015 O\n0.673833 0.698037 0.565343 O\n0.326167 0.301963 0.434657 O\n0.326167 0.801963 0.065343 O\n0.673833 0.198037 0.934657 O\n0.008342 0.726886 0.003212 O\n0.991658 0.273114 0.996788 O\n0.991658 0.773114 0.503212 O\n0.008342 0.226886 0.496788 O\n",
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]
}