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{
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{
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{
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{
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"structure_string": "Na2 P8 N14\n1.0\n4.301333 6.219092 0.000000\n-4.301333 6.219092 0.000000\n0.000000 1.119282 5.060143\nNa P N\n2 8 14\ndirect\n0.793595 0.206405 0.250000 Na\n0.206405 0.793595 0.750000 Na\n0.295537 0.459619 0.287326 P\n0.540381 0.704463 0.212674 P\n0.096680 0.250501 0.697069 P\n0.749499 0.903320 0.802931 P\n0.903320 0.749499 0.302931 P\n0.250501 0.096680 0.197069 P\n0.459619 0.295537 0.787326 P\n0.704463 0.540381 0.712674 P\n0.268477 0.363865 0.608082 N\n0.636135 0.731523 0.891918 N\n0.731523 0.636135 0.391918 N\n0.363865 0.268477 0.108082 N\n0.894730 0.392059 0.808356 N\n0.607941 0.105270 0.691644 N\n0.105270 0.607941 0.191644 N\n0.392059 0.894730 0.308356 N\n0.916544 0.821008 0.570827 N\n0.178992 0.083456 0.929173 N\n0.476768 0.523232 0.250000 N\n0.523232 0.476768 0.750000 N\n0.821008 0.916544 0.070827 N\n0.083456 0.178992 0.429173 N\n",
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{
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"structure_string": "Mg1 Ag1 Sb1\n1.0\n0.000000 3.284398 3.284398\n3.284398 0.000000 3.284398\n3.284398 3.284398 0.000000\nMg Ag Sb\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Ag\n0.000000 0.000000 0.000000 Sb\n",
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{
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"structure_string": "Ti6 Ga2\n1.0\n2.849224 -4.935001 0.000000\n2.849224 4.935001 0.000000\n0.000000 0.000000 4.651062\nTi Ga\n6 2\ndirect\n0.169797 0.339594 0.750000 Ti\n0.830203 0.169797 0.250000 Ti\n0.830203 0.660406 0.250000 Ti\n0.169797 0.830203 0.750000 Ti\n0.660406 0.830203 0.750000 Ti\n0.339594 0.169797 0.250000 Ti\n0.666667 0.333333 0.750000 Ga\n0.333333 0.666667 0.250000 Ga\n",
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{
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{
"id": "mp-1202513",
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"structure_string": "V4 C16 N8 O44\n1.0\n8.746951 0.000000 0.000000\n0.000000 11.151748 0.000000\n0.000000 7.105890 14.257857\nV C N O\n4 16 8 44\ndirect\n0.546794 0.642549 0.680965 V\n0.046794 0.357451 0.819035 V\n0.453206 0.357451 0.319035 V\n0.953206 0.642549 0.180965 V\n0.519420 0.429771 0.900024 C\n0.019420 0.570229 0.599976 C\n0.480580 0.570229 0.099976 C\n0.980580 0.429771 0.400024 C\n0.816729 0.625951 0.859685 C\n0.316729 0.374049 0.640315 C\n0.183271 0.374049 0.140315 C\n0.683271 0.625951 0.359685 C\n0.697294 0.947127 0.562967 C\n0.197294 0.052873 0.937033 C\n0.302706 0.052873 0.437033 C\n0.802706 0.947127 0.062967 C\n0.446760 0.901539 0.728072 C\n0.946760 0.098461 0.771928 C\n0.553240 0.098461 0.271928 C\n0.053240 0.901539 0.228072 C\n0.653534 0.265300 0.627307 N\n0.153534 0.734700 0.872693 N\n0.346466 0.734700 0.372693 N\n0.846466 0.265300 0.127307 N\n0.590552 0.919841 0.915609 N\n0.090552 0.080159 0.584391 N\n0.409448 0.080159 0.084391 N\n0.909448 0.919841 0.415609 N\n0.377779 0.652614 0.632757 O\n0.877779 0.347386 0.867243 O\n0.622221 0.347386 0.367243 O\n0.122221 0.652614 0.132757 O\n0.668283 0.560142 0.647563 O\n0.168283 0.439858 0.852437 O\n0.331717 0.439858 0.352437 O\n0.831717 0.560142 0.147563 O\n0.500469 0.496441 0.818824 O\n0.000469 0.503559 0.681176 O\n0.499531 0.503559 0.181176 O\n0.999531 0.496441 0.318824 O\n0.536798 0.367896 0.980501 O\n0.036798 0.632104 0.519499 O\n0.463202 0.632104 0.019499 O\n0.963202 0.367896 0.480501 O\n0.853529 0.579438 0.938399 O\n0.353529 0.420562 0.561601 O\n0.146471 0.420562 0.061601 O\n0.646471 0.579438 0.438399 O\n0.775585 0.674292 0.780550 O\n0.275585 0.325708 0.719450 O\n0.224415 0.325708 0.219450 O\n0.724415 0.674292 0.280550 O\n0.644554 0.844069 0.571777 O\n0.144554 0.155931 0.928223 O\n0.355446 0.155931 0.428223 O\n0.855446 0.844069 0.071777 O\n0.741274 0.050202 0.555139 O\n0.241274 0.949798 0.944861 O\n0.258726 0.949798 0.444861 O\n0.758726 0.050202 0.055139 O\n0.417682 0.013856 0.705386 O\n0.917682 0.986144 0.794614 O\n0.582318 0.986144 0.294614 O\n0.082318 0.013856 0.205386 O\n0.478264 0.788442 0.749355 O\n0.978264 0.211558 0.750645 O\n0.521736 0.211558 0.250645 O\n0.021736 0.788442 0.249355 O\n0.555830 0.163310 0.871538 O\n0.055830 0.836690 0.628462 O\n0.444170 0.836690 0.128462 O\n0.944170 0.163310 0.371538 O\n",
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{
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{
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"structure_string": "Ba2 Pb4 I2 F10\n1.0\n6.130211 0.000000 0.000000\n0.000000 6.130211 0.000000\n0.000000 0.000000 10.120162\nBa Pb I F\n2 4 2 10\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.500000 0.000000 0.693553 Pb\n0.000000 0.500000 0.735634 Pb\n0.500000 0.000000 0.264366 Pb\n0.000000 0.500000 0.306447 Pb\n0.500000 0.500000 0.500000 I\n0.000000 0.000000 0.500000 I\n0.500000 0.000000 0.035374 F\n0.763979 0.263979 0.180162 F\n0.263979 0.236021 0.819838 F\n0.763979 0.736021 0.180162 F\n0.736021 0.763979 0.819838 F\n0.236021 0.263979 0.180162 F\n0.000000 0.500000 0.964626 F\n0.736021 0.236021 0.819838 F\n0.263979 0.763979 0.819838 F\n0.236021 0.736021 0.180162 F\n",
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"density": 6.755701128668031,
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"formula_full": "Ba2 Pb4 I2 F10",
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{
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"created_at": "2022-09-04T14:42:47.379111Z",
"structure_string": "Ba2 Br4 O12\n1.0\n0.000000 6.217872 6.883654\n4.040721 0.000000 6.883654\n4.040721 6.217872 0.000000\nBa Br O\n2 4 12\ndirect\n0.749210 0.250790 0.250790 Ba\n0.999210 0.500790 0.500790 Ba\n0.483115 0.474308 0.905837 Br\n0.136740 0.905837 0.474308 Br\n0.344163 0.113260 0.766885 Br\n0.775692 0.766885 0.113260 Br\n0.548271 0.346023 0.698875 O\n0.406832 0.698875 0.346023 O\n0.551125 0.843168 0.701729 O\n0.903977 0.701729 0.843168 O\n0.125423 0.135464 0.834231 O\n0.904883 0.834231 0.135464 O\n0.860891 0.524259 0.217613 O\n0.397237 0.217613 0.524259 O\n0.032387 0.852763 0.389109 O\n0.725741 0.389109 0.852763 O\n0.114536 0.124577 0.345117 O\n0.415769 0.345117 0.124577 O\n",
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{
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"structure_string": "Yb4 Mn2 S8\n1.0\n0.000000 5.446609 5.446609\n5.446609 0.000000 5.446609\n5.446609 5.446609 0.000000\nYb Mn S\n4 2 8\ndirect\n0.125000 0.125000 0.625000 Yb\n0.125000 0.625000 0.125000 Yb\n0.625000 0.125000 0.125000 Yb\n0.125000 0.125000 0.125000 Yb\n0.750000 0.750000 0.750000 Mn\n0.500000 0.500000 0.500000 Mn\n0.868024 0.395929 0.868024 S\n0.381976 0.381976 0.854071 S\n0.381976 0.381976 0.381976 S\n0.854071 0.381976 0.381976 S\n0.868024 0.868024 0.868024 S\n0.395929 0.868024 0.868024 S\n0.381976 0.854071 0.381976 S\n0.868024 0.868024 0.395929 S\n",
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]
}