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{
"id": "jvasp-111315",
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"structure_string": "Ba2 Lu1 U1 O6\n1.0\n5.316068 0.000000 3.069233\n1.772023 5.012037 3.069233\n-0.000000 -0.000000 6.138467\nBa Lu U O\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 U\n0.751989 0.751990 0.248010 O\n0.248011 0.248011 0.751989 O\n0.751989 0.248011 0.751989 O\n0.248010 0.751990 0.248010 O\n0.248010 0.751990 0.751989 O\n0.751989 0.248011 0.248010 O\n",
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{
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"structure_string": "Ba4 Mg6 F20\n1.0\n5.697595 0.000000 -1.832872\n-0.902879 7.260793 -2.806652\n0.004954 0.010640 9.787492\nBa Mg F\n4 6 20\ndirect\n0.717436 0.315029 0.434875 Ba\n0.282562 0.684971 0.565124 Ba\n0.614027 0.719592 0.228056 Ba\n0.385972 0.280408 0.771944 Ba\n0.253734 -0.000000 0.000000 Mg\n0.177197 0.016179 0.354395 Mg\n0.746265 -0.000000 0.000000 Mg\n0.073825 0.453853 0.147651 Mg\n0.926173 0.546147 0.852348 Mg\n0.822801 0.983821 0.645605 Mg\n0.866345 0.256602 0.732691 F\n0.780513 0.500000 0.000000 F\n0.219486 0.500000 0.000000 F\n0.517107 0.180965 0.034215 F\n0.482891 0.819035 0.965785 F\n0.236520 0.281027 0.473041 F\n0.763478 0.718973 0.526959 F\n0.133653 0.743397 0.267309 F\n0.021788 0.181971 0.043576 F\n0.089840 0.526911 0.704154 F\n0.614313 0.526911 0.704154 F\n0.910158 0.473089 0.295845 F\n0.385686 0.473089 0.295845 F\n-0.000000 -0.000000 0.500000 F\n0.636347 0.973910 0.778625 F\n0.857722 0.026090 0.221374 F\n0.363651 0.026090 0.221374 F\n0.142276 0.973910 0.778625 F\n0.978210 0.818028 0.956424 F\n0.499999 -0.000000 0.500000 F\n",
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"formula_full": "Ba4 Mg6 F20",
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{
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"created_at": "2022-09-04T14:37:42.420922Z",
"updated_at": "2022-09-04T14:37:42.420942Z",
"structure_string": "Ba2 Mg1 B6 O12\n1.0\n3.562082 2.056467 5.527140\n-3.562000 2.056470 5.527084\n0.000044 -4.113222 5.527218\nBa Mg B O\n2 1 6 12\ndirect\n0.212853 0.212854 0.212851 Ba\n0.787147 0.787147 0.787147 Ba\n0.000000 0.000000 0.000000 Mg\n0.363369 0.644964 0.756828 B\n0.644963 0.756830 0.363368 B\n0.756828 0.363371 0.644963 B\n0.636631 0.355037 0.243171 B\n0.355036 0.243171 0.636631 B\n0.243171 0.636630 0.355036 B\n0.464647 0.572827 0.196407 O\n0.803591 0.535353 0.427173 O\n0.427171 0.803592 0.535350 O\n0.535353 0.427174 0.803592 O\n0.312082 0.084251 0.841886 O\n0.158115 0.687915 0.915749 O\n0.084250 0.841886 0.312082 O\n0.687917 0.915750 0.158113 O\n0.572828 0.196409 0.464649 O\n0.915750 0.158115 0.687917 O\n0.841885 0.312086 0.084250 O\n0.196409 0.464648 0.572826 O\n",
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"formula_full": "Ba2 Mg1 B6 O12",
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{
"id": "jvasp-10501",
"created_at": "2022-09-04T14:36:51.051831Z",
"updated_at": "2022-09-04T14:36:51.051843Z",
"structure_string": "Ba2 Mg1 B2 O6\n1.0\n4.872991 -0.010905 4.055829\n1.894721 4.489564 4.055829\n-0.016477 -0.010905 6.339993\nBa Mg B O\n2 1 2 6\ndirect\n0.776649 0.776651 0.776650 Ba\n0.223350 0.223351 0.223350 Ba\n0.000000 0.000000 0.000000 Mg\n0.410185 0.410186 0.410185 B\n0.589814 0.589815 0.589815 B\n0.292266 0.739971 0.739971 O\n0.739970 0.739971 0.292267 O\n0.739970 0.292268 0.739971 O\n0.260029 0.707733 0.260029 O\n0.260028 0.260030 0.707733 O\n0.707733 0.260030 0.260029 O\n",
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"density": 4.967015537548166,
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"volume": 139.26734106898226,
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"formula_full": "Ba2 Mg1 B2 O6",
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{
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"created_at": "2022-09-04T14:37:58.766414Z",
"updated_at": "2022-09-04T14:37:58.766436Z",
"structure_string": "Ba2 Mg1 Cd1\n1.0\n-17.743189 -0.000001 -10.244034\n-10.295996 -0.489325 -2.654880\n-9.115726 2.848986 -4.699169\nBa Mg Cd\n2 1 1\ndirect\n0.663344 0.000001 0.000000 Ba\n0.336655 0.000000 0.000000 Ba\n0.000000 0.000000 0.000000 Mg\n0.499999 0.000001 0.000000 Cd\n",
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{
"id": "jvasp-81146",
"created_at": "2022-09-04T14:36:47.304978Z",
"updated_at": "2022-09-04T14:36:47.305008Z",
"structure_string": "Ba2 Mg1 Cd1\n1.0\n-17.201793 -0.000000 -9.931458\n-10.031101 -0.489620 -2.488541\n-8.846822 2.860027 -4.539773\nBa Mg Cd\n2 1 1\ndirect\n0.664816 -0.000001 -0.000000 Ba\n0.335184 -0.000000 -0.000000 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 -0.000001 -0.000000 Cd\n",
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{
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"structure_string": "Ba2 Mg1 Ga1\n1.0\n0.000000 4.187741 4.187741\n4.187741 0.000000 4.187741\n4.187741 4.187741 -0.000000\nBa Mg Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ga\n",
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{
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"structure_string": "Ba2 Mg1 H6\n1.0\n5.717813 0.000016 0.000046\n-2.858894 4.951832 0.000009\n0.000035 0.000029 4.529616\nBa Mg H\n2 1 6\ndirect\n0.666667 0.333333 0.267215 Ba\n0.333335 0.666668 0.732787 Ba\n0.000000 0.000000 0.000000 Mg\n0.829307 0.658612 0.773261 H\n0.829307 0.170695 0.773260 H\n0.341389 0.170694 0.773258 H\n0.170695 0.341389 0.226741 H\n0.170695 0.829306 0.226742 H\n0.658613 0.829306 0.226744 H\n",
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{
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"structure_string": "Ba2 Mg1 In1\n1.0\n5.235917 -0.000000 3.022958\n1.745306 4.936470 3.022958\n-0.000000 -0.000000 6.045917\nBa Mg In\n2 1 1\ndirect\n0.750001 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Mg\n0.500001 0.500000 0.500000 In\n",
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{
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"structure_string": "Ba2 Mg1 In1\n1.0\n-12.161893 0.000000 -7.021672\n-7.766608 -0.573264 -0.591185\n-6.372595 3.369602 -3.005687\nBa Mg In\n2 1 1\ndirect\n0.750832 0.000000 -0.000000 Ba\n0.249167 0.000000 -0.000000 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 -0.000000 In\n",
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{
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"structure_string": "Ba2 Mg1 Mn1\n1.0\n-0.000000 4.192380 4.192380\n4.192380 -0.000000 4.192380\n4.192380 4.192380 -0.000000\nBa Mg Mn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mn\n",
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