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{
"id": "mp-1247242",
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"structure_string": "Li12 S2 N8\n1.0\n6.312755 0.000000 0.000000\n0.000000 6.312755 0.000000\n0.000000 0.000000 4.875139\nLi S N\n12 2 8\ndirect\n0.000000 0.500000 0.652876 Li\n0.500000 0.000000 0.847124 Li\n0.500000 0.000000 0.347124 Li\n0.000000 0.500000 0.152876 Li\n0.211928 0.211928 0.500000 Li\n0.788072 0.788072 0.500000 Li\n0.711928 0.711928 0.000000 Li\n0.288072 0.288072 0.000000 Li\n0.788072 0.211928 0.500000 Li\n0.211928 0.788072 0.500000 Li\n0.288072 0.711928 0.000000 Li\n0.711928 0.288072 0.000000 Li\n0.500000 0.500000 0.500000 S\n0.000000 0.000000 0.000000 S\n0.283513 0.500000 0.321840 N\n0.716487 0.500000 0.321840 N\n0.783513 0.000000 0.178160 N\n0.216487 0.000000 0.178160 N\n0.500000 0.283513 0.678160 N\n0.500000 0.716487 0.678160 N\n0.000000 0.783513 0.821840 N\n0.000000 0.216487 0.821840 N\n",
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{
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{
"id": "mp-1209269",
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"structure_string": "Rb1 Lu1 W2 O8\n1.0\n3.025000 -5.239453 0.000000\n3.025000 5.239453 0.000000\n0.000000 0.000000 8.015710\nRb Lu W O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Lu\n0.333333 0.666667 0.266052 W\n0.666667 0.333333 0.733948 W\n0.167629 0.832371 0.337038 O\n0.832371 0.167629 0.662962 O\n0.167629 0.335258 0.337038 O\n0.832371 0.664742 0.662962 O\n0.664742 0.832371 0.337038 O\n0.335258 0.167629 0.662962 O\n0.333333 0.666667 0.044790 O\n0.666667 0.333333 0.955210 O\n",
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{
"id": "mp-1214567",
"created_at": "2022-09-04T14:47:16.166713Z",
"structure_string": "Ba6 Sr4 As6 Cl2 O24\n1.0\n5.291105 -9.164463 0.000000\n5.291105 9.164463 0.000000\n0.000000 0.000000 7.685226\nBa Sr As Cl O\n6 4 6 2 24\ndirect\n0.742340 0.989197 0.750000 Ba\n0.257660 0.010803 0.250000 Ba\n0.246857 0.257660 0.750000 Ba\n0.753143 0.742340 0.250000 Ba\n0.010803 0.753143 0.750000 Ba\n0.989197 0.246857 0.250000 Ba\n0.666667 0.333333 0.000110 Sr\n0.333333 0.666667 0.999890 Sr\n0.333333 0.666667 0.500110 Sr\n0.666667 0.333333 0.499890 Sr\n0.966434 0.379832 0.750000 As\n0.033566 0.620168 0.250000 As\n0.413398 0.033566 0.750000 As\n0.586602 0.966434 0.250000 As\n0.620168 0.586602 0.750000 As\n0.379832 0.413398 0.250000 As\n0.000000 0.000000 0.000000 Cl\n0.000000 0.000000 0.500000 Cl\n0.497783 0.649573 0.750000 O\n0.502217 0.350427 0.250000 O\n0.151790 0.502217 0.750000 O\n0.848210 0.497783 0.250000 O\n0.350427 0.848210 0.750000 O\n0.649573 0.151790 0.250000 O\n0.911838 0.268370 0.929519 O\n0.088162 0.731630 0.070481 O\n0.356532 0.088162 0.929519 O\n0.088162 0.731630 0.429519 O\n0.643468 0.911838 0.070481 O\n0.911838 0.268370 0.570481 O\n0.731630 0.643468 0.929519 O\n0.643468 0.911838 0.429519 O\n0.268370 0.356532 0.070481 O\n0.356532 0.088162 0.570481 O\n0.268370 0.356532 0.429519 O\n0.731630 0.643468 0.570481 O\n0.863850 0.466267 0.750000 O\n0.136150 0.533733 0.250000 O\n0.602418 0.136150 0.750000 O\n0.397582 0.863850 0.250000 O\n0.533733 0.397582 0.750000 O\n0.466267 0.602418 0.250000 O\n",
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"elements": [
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"density": 4.631641831571945,
"density_atomic": 0.056351988957682175,
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"formula_full": "Ba6 Sr4 As6 Cl2 O24",
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{
"id": "mp-14213",
"created_at": "2022-09-04T14:47:12.215420Z",
"structure_string": "Sr32 Ge8 P32\n1.0\n12.576535 0.000000 0.000000\n0.000000 12.576535 0.000000\n0.000000 0.000000 12.576535\nSr Ge P\n32 8 32\ndirect\n0.904163 0.867394 0.644822 Sr\n0.904163 0.132606 0.355178 Sr\n0.867394 0.644822 0.904163 Sr\n0.132606 0.644822 0.095837 Sr\n0.644822 0.904163 0.867394 Sr\n0.355178 0.095837 0.867394 Sr\n0.595837 0.855178 0.367394 Sr\n0.595837 0.144822 0.632606 Sr\n0.404163 0.855178 0.632606 Sr\n0.144822 0.632606 0.595837 Sr\n0.632606 0.404163 0.855178 Sr\n0.632606 0.595837 0.144822 Sr\n0.855178 0.367394 0.595837 Sr\n0.367394 0.595837 0.855178 Sr\n0.855178 0.632606 0.404163 Sr\n0.144822 0.367394 0.404163 Sr\n0.367394 0.404163 0.144822 Sr\n0.355178 0.904163 0.132606 Sr\n0.644822 0.095837 0.132606 Sr\n0.867394 0.355178 0.095837 Sr\n0.132606 0.355178 0.904163 Sr\n0.095837 0.132606 0.644822 Sr\n0.095837 0.867394 0.355178 Sr\n0.404163 0.144822 0.367394 Sr\n0.145116 0.145116 0.145116 Sr\n0.354884 0.645116 0.354884 Sr\n0.645116 0.354884 0.354884 Sr\n0.354884 0.354884 0.645116 Sr\n0.145116 0.854884 0.854884 Sr\n0.854884 0.854884 0.145116 Sr\n0.854884 0.145116 0.854884 Sr\n0.645116 0.645116 0.645116 Sr\n0.750000 0.000000 0.500000 Ge\n0.500000 0.750000 0.000000 Ge\n0.500000 0.250000 0.000000 Ge\n0.000000 0.500000 0.250000 Ge\n0.000000 0.500000 0.750000 Ge\n0.250000 0.000000 0.500000 Ge\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.647441 0.893094 0.617684 P\n0.647441 0.106906 0.382316 P\n0.893094 0.617684 0.647441 P\n0.106906 0.617684 0.352559 P\n0.617684 0.647441 0.893094 P\n0.382316 0.352559 0.893094 P\n0.852559 0.882316 0.393094 P\n0.852559 0.117684 0.606906 P\n0.147441 0.882316 0.606906 P\n0.117684 0.606906 0.852559 P\n0.606906 0.147441 0.882316 P\n0.606906 0.852559 0.117684 P\n0.882316 0.393094 0.852559 P\n0.393094 0.852559 0.882316 P\n0.882316 0.606906 0.147441 P\n0.117684 0.393094 0.147441 P\n0.393094 0.147441 0.117684 P\n0.382316 0.647441 0.106906 P\n0.617684 0.352559 0.106906 P\n0.893094 0.382316 0.352559 P\n0.106906 0.382316 0.647441 P\n0.352559 0.106906 0.617684 P\n0.352559 0.893094 0.382316 P\n0.147441 0.117684 0.393094 P\n0.891277 0.891277 0.891277 P\n0.608723 0.391277 0.608723 P\n0.391277 0.608723 0.608723 P\n0.608723 0.608723 0.391277 P\n0.891277 0.108723 0.108723 P\n0.108723 0.108723 0.891277 P\n0.108723 0.891277 0.108723 P\n0.391277 0.391277 0.391277 P\n",
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"formula_full": "Sr32 Ge8 P32",
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{
"id": "mp-1236334",
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"structure_string": "Li1 Al2 H4 Pb2 O4 F6\n1.0\n7.210374 -0.298297 -1.503589\n-2.657985 6.850889 -0.443792\n0.290409 -0.185670 4.943535\nLi Al H Pb O F\n1 2 4 2 4 6\ndirect\n0.500000 0.000000 0.500000 Li\n0.168297 0.683831 0.155237 Al\n0.831703 0.316169 0.844763 Al\n0.159418 0.494961 0.680118 H\n0.840582 0.505039 0.319882 H\n0.125590 0.845860 0.750649 H\n0.874410 0.154140 0.249351 H\n0.741160 0.769045 0.902933 Pb\n0.258840 0.230955 0.097067 Pb\n0.110596 0.469359 0.854148 O\n0.889404 0.530641 0.145852 O\n0.091794 0.852465 0.937359 O\n0.908206 0.147535 0.062641 O\n0.209675 0.871584 0.461552 F\n0.790325 0.128416 0.538449 F\n0.244490 0.537286 0.393128 F\n0.755510 0.462714 0.606872 F\n0.430169 0.817992 0.143667 F\n0.569831 0.182008 0.856333 F\n",
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{
"id": "mp-1202632",
"created_at": "2022-09-04T14:47:12.371407Z",
"structure_string": "Tm16 B4 Cl4 O28\n1.0\n7.957108 0.000000 0.000000\n0.000000 8.490831 0.000000\n0.000000 5.912320 10.535012\nTm B Cl O\n16 4 4 28\ndirect\n0.624696 0.795837 0.222400 Tm\n0.875304 0.795837 0.722400 Tm\n0.375304 0.204163 0.777600 Tm\n0.124696 0.204163 0.277600 Tm\n0.617389 0.426293 0.907799 Tm\n0.882611 0.426293 0.407799 Tm\n0.382611 0.573707 0.092201 Tm\n0.117389 0.573707 0.592201 Tm\n0.639303 0.567714 0.581799 Tm\n0.860697 0.567714 0.081799 Tm\n0.360697 0.432286 0.418201 Tm\n0.139303 0.432286 0.918201 Tm\n0.614739 0.182719 0.278293 Tm\n0.885261 0.182719 0.778293 Tm\n0.385261 0.817281 0.721707 Tm\n0.114739 0.817281 0.221707 Tm\n0.869367 0.869802 0.413890 B\n0.630633 0.869802 0.913890 B\n0.130633 0.130198 0.586110 B\n0.369367 0.130198 0.086110 B\n0.848414 0.119351 0.030650 Cl\n0.651586 0.119351 0.530650 Cl\n0.151586 0.880649 0.969350 Cl\n0.348414 0.880649 0.469350 Cl\n0.622430 0.540044 0.402835 O\n0.877570 0.540044 0.902835 O\n0.377570 0.459956 0.597165 O\n0.122430 0.459956 0.097165 O\n0.637273 0.310617 0.772946 O\n0.862727 0.310617 0.272946 O\n0.362727 0.689383 0.227054 O\n0.137273 0.689383 0.727054 O\n0.617125 0.679810 0.717563 O\n0.882875 0.679810 0.217563 O\n0.382875 0.320190 0.282437 O\n0.117125 0.320190 0.782437 O\n0.621139 0.425462 0.092652 O\n0.878861 0.425462 0.592652 O\n0.378861 0.574538 0.907348 O\n0.121139 0.574538 0.407348 O\n0.890802 0.771921 0.544179 O\n0.609198 0.771921 0.044179 O\n0.109198 0.228079 0.455821 O\n0.390802 0.228079 0.955821 O\n0.004425 0.939124 0.333311 O\n0.495575 0.939124 0.833311 O\n0.995575 0.060876 0.666689 O\n0.504425 0.060876 0.166689 O\n0.708984 0.886730 0.365940 O\n0.791016 0.886730 0.865940 O\n0.291016 0.113270 0.634060 O\n0.208984 0.113270 0.134060 O\n",
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{
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{
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{
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{
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}