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{
"id": "jvasp-9113",
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"structure_string": "Si6 N8\n1.0\n4.776644 0.000000 2.757796\n1.592215 4.503463 2.757796\n-0.000000 -0.000000 5.515594\nSi N\n6 8\ndirect\n0.500000 0.000000 0.500000 Si\n0.000001 0.500000 0.500000 Si\n0.500000 0.500000 0.000001 Si\n0.500000 0.500000 0.500000 Si\n0.125000 0.125000 0.125000 Si\n0.875000 0.874999 0.875001 Si\n0.742564 0.742563 0.742564 N\n0.257437 0.257436 0.727689 N\n0.257437 0.727689 0.257437 N\n0.727689 0.257436 0.257437 N\n0.742563 0.272311 0.742564 N\n0.272311 0.742563 0.742563 N\n0.257437 0.257436 0.257437 N\n0.742564 0.742563 0.272312 N\n",
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{
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"structure_string": "B3 As3 O12\n1.0\n2.288196 -3.963271 0.000000\n2.288196 3.963271 -0.000000\n0.000000 -0.000000 10.472896\nB As O\n3 3 12\ndirect\n0.000001 0.541793 0.166667 B\n0.458209 0.458209 0.500000 B\n0.541793 0.000001 0.833333 B\n0.000001 0.545101 0.666667 As\n0.545101 0.000001 0.333333 As\n0.454900 0.454900 0.000000 As\n0.315718 0.922911 0.721928 O\n0.607194 0.684284 0.388595 O\n0.878158 0.279528 0.796475 O\n0.401370 0.121843 0.463142 O\n0.598632 0.720474 0.870192 O\n0.922911 0.315718 0.278073 O\n0.279528 0.878158 0.203526 O\n0.077090 0.392807 0.055261 O\n0.392807 0.077090 0.944739 O\n0.121843 0.401370 0.536859 O\n0.720474 0.598632 0.129809 O\n0.684284 0.607194 0.611406 O\n",
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{
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"structure_string": "Al3 Ga1 N4\n1.0\n4.437897 -0.000000 -0.000000\n-0.000000 4.437897 -0.000000\n0.000000 0.000000 4.437897\nAl Ga N\n3 1 4\ndirect\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Ga\n0.743950 0.743950 0.256051 N\n0.743950 0.256051 0.743950 N\n0.256051 0.743950 0.743950 N\n0.256051 0.256051 0.256051 N\n",
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{
"id": "jvasp-90115",
"created_at": "2022-09-04T14:35:48.864210Z",
"updated_at": "2022-09-04T14:35:48.864235Z",
"structure_string": "Zn2 Ga2 S5\n1.0\n-1.869664 3.238352 -0.000000\n-3.739327 -0.000000 -0.000000\n-1.869664 1.079451 15.034906\nZn Ga S\n2 2 5\ndirect\n0.311441 0.311441 0.065678 Zn\n0.482475 0.482475 0.552574 Zn\n0.896435 0.896435 0.310695 Ga\n0.076343 0.076342 0.770972 Ga\n0.995010 0.995011 0.014967 S\n0.532332 0.532332 0.403003 S\n0.389788 0.389788 0.830634 S\n0.256390 0.256390 0.230828 S\n0.127783 0.127783 0.616649 S\n",
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"formula_full": "Zn2 Ga2 S5",
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{
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"created_at": "2022-09-04T14:35:40.719381Z",
"updated_at": "2022-09-04T14:35:40.719402Z",
"structure_string": "Ba1 Ga1 Br1\n1.0\n-0.000000 3.929240 3.929240\n3.929240 0.000000 3.929240\n3.929240 3.929240 -0.000000\nBa Ga Br\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Br\n",
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{
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"structure_string": "Hf1 Mg6 Fe1\n1.0\n6.335436 -0.156559 0.000000\n-3.303302 5.408368 0.000000\n0.000000 0.000000 4.762833\nHf Mg Fe\n1 6 1\ndirect\n0.304200 0.195801 0.749999 Hf\n0.176447 0.838421 0.250000 Mg\n0.661580 0.323553 0.250000 Mg\n0.673788 0.826213 0.250000 Mg\n0.317274 0.669951 0.749999 Mg\n0.830050 0.182727 0.749999 Mg\n0.832649 0.667352 0.749999 Mg\n0.204017 0.295983 0.250000 Fe\n",
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"formula_full": "Hf1 Mg6 Fe1",
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{
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"created_at": "2022-09-04T14:38:45.591550Z",
"updated_at": "2022-09-04T14:38:45.591577Z",
"structure_string": "Ti4 Cr4 Cu4 S16\n1.0\n5.862843 -0.000000 0.000000\n0.000000 6.826013 0.000000\n0.000000 -0.000000 12.325099\nTi Cr Cu S\n4 4 4 16\ndirect\n0.500000 0.250000 0.250000 Ti\n0.500000 0.750000 0.750000 Ti\n0.500000 0.750000 0.250000 Ti\n0.500000 0.250000 0.750000 Ti\n0.998150 0.000000 0.247059 Cr\n0.998150 0.000000 0.752941 Cr\n0.001849 0.500000 0.252941 Cr\n0.001849 0.500000 0.747059 Cr\n0.967038 0.500000 -0.000000 Cu\n0.032961 0.000000 0.500000 Cu\n0.639895 0.500000 0.500000 Cu\n0.360105 0.000000 -0.000000 Cu\n0.327198 0.000000 0.636366 S\n0.327198 0.000000 0.363634 S\n0.334967 0.500000 0.635320 S\n0.334967 0.500000 0.364680 S\n0.665032 0.000000 0.864680 S\n0.665032 0.000000 0.135320 S\n0.838921 0.252568 0.634437 S\n0.838921 0.747431 0.634437 S\n0.161079 0.752568 0.865563 S\n0.161079 0.247431 0.134437 S\n0.161079 0.247431 0.865563 S\n0.161079 0.752568 0.134437 S\n0.672802 0.500000 0.136366 S\n0.838921 0.252568 0.365563 S\n0.838921 0.747431 0.365563 S\n0.672802 0.500000 0.863634 S\n",
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"formula_full": "Ti4 Cr4 Cu4 S16",
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{
"id": "jvasp-30315",
"created_at": "2022-09-04T14:37:59.911030Z",
"updated_at": "2022-09-04T14:37:59.911041Z",
"structure_string": "Mn6 P24\n1.0\n4.819766 0.000000 -0.011639\n0.000000 13.711430 0.000000\n-1.471053 0.000000 6.867963\nMn P\n6 24\ndirect\n0.000000 0.500000 0.500000 Mn\n0.130140 0.335666 0.857490 Mn\n0.000000 0.000000 0.000000 Mn\n0.130140 0.164334 0.357490 Mn\n0.869861 0.835666 0.642509 Mn\n0.869861 0.664334 0.142509 Mn\n0.489977 0.278539 0.446831 P\n0.641985 0.890990 0.868951 P\n0.737453 0.113846 0.791649 P\n0.510024 0.778539 0.053169 P\n0.788349 0.448740 0.748114 P\n0.641985 0.609010 0.368951 P\n0.630423 0.556605 0.936745 P\n0.737453 0.386154 0.291649 P\n0.788349 0.051260 0.248115 P\n0.630423 0.943395 0.436745 P\n0.369578 0.443395 0.063255 P\n0.262548 0.886154 0.208351 P\n0.358016 0.109010 0.131049 P\n0.921125 0.224892 0.616197 P\n0.489977 0.221461 0.946831 P\n0.369578 0.056605 0.563255 P\n0.358017 0.390990 0.631048 P\n0.211652 0.551260 0.251885 P\n0.262549 0.613846 0.708350 P\n0.211652 0.948740 0.751885 P\n0.078876 0.775108 0.383803 P\n0.078877 0.724892 0.883803 P\n0.510024 0.721461 0.553168 P\n0.921125 0.275108 0.116197 P\n",
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{
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"created_at": "2022-09-04T14:38:53.693832Z",
"updated_at": "2022-09-04T14:38:53.693854Z",
"structure_string": "Rb1 In1 Br2\n1.0\n4.760562 0.000000 0.000000\n0.000000 4.760562 0.000000\n0.000000 -0.000000 6.717193\nRb In Br\n1 1 2\ndirect\n0.500000 0.500000 0.504572 Rb\n0.000000 0.000000 0.003887 In\n0.000000 0.000000 0.496824 Br\n0.500000 0.500000 0.004715 Br\n",
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{
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"created_at": "2022-09-04T14:36:03.010745Z",
"updated_at": "2022-09-04T14:36:03.010771Z",
"structure_string": "Rb3 Re1\n1.0\n5.719652 -0.000000 0.000000\n-0.000000 5.719652 -0.000000\n-0.000000 -0.000000 5.719652\nRb Re\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.500000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Re\n",
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{
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"structure_string": "Rb3 Re1\n1.0\n5.719652 -0.000000 0.000000\n-0.000000 5.719652 -0.000000\n-0.000000 -0.000000 5.719652\nRb Re\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.500000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Re\n",
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{
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"structure_string": "Li4 Cr4 Si4 O16\n1.0\n5.655344 0.000000 -0.000000\n0.000000 5.655344 0.000000\n-0.000000 0.000000 7.984505\nLi Cr Si O\n4 4 4 16\ndirect\n0.000000 0.221540 0.000000 Li\n0.000000 0.778459 0.500000 Li\n0.221540 0.000000 0.250000 Li\n0.778459 0.000000 0.750000 Li\n0.234763 0.500000 0.250000 Cr\n0.500000 0.234763 0.000000 Cr\n0.500000 0.765237 0.500000 Cr\n0.765237 0.500000 0.750000 Cr\n0.745088 0.745088 0.125000 Si\n0.745088 0.254911 0.375000 Si\n0.254911 0.745088 0.875001 Si\n0.254911 0.254911 0.625000 Si\n0.739681 0.987198 0.010343 O\n0.739681 0.012802 0.489657 O\n0.739933 0.503332 0.999575 O\n0.739933 0.496667 0.500426 O\n0.496667 0.739933 0.749575 O\n0.496667 0.260066 0.750426 O\n0.503332 0.739933 0.250426 O\n0.987198 0.739681 0.239657 O\n0.260066 0.503332 0.000425 O\n0.260066 0.496667 0.499575 O\n0.260319 0.012802 0.510343 O\n0.260319 0.987198 0.989658 O\n0.012802 0.260319 0.739658 O\n0.987198 0.260319 0.260343 O\n0.503332 0.260066 0.249575 O\n0.012802 0.739681 0.760343 O\n",
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}