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{
"id": "jvasp-116461",
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{
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{
"id": "jvasp-49847",
"created_at": "2022-09-04T14:36:12.375595Z",
"updated_at": "2022-09-04T14:36:12.375620Z",
"structure_string": "Zn12 N8\n1.0\n3.400632 -0.000000 0.000000\n-0.000000 5.890641 0.000000\n0.000000 0.000000 12.043658\nZn N\n12 8\ndirect\n0.749999 0.583338 0.079202 Zn\n0.250000 0.083338 0.420798 Zn\n0.250000 0.416647 0.579198 Zn\n0.250000 0.750070 0.249993 Zn\n0.250000 0.416662 0.920798 Zn\n0.250000 0.083353 0.079198 Zn\n0.250000 0.749930 0.749993 Zn\n0.749999 0.249930 0.750007 Zn\n0.749999 0.583353 0.420802 Zn\n0.749999 0.250070 0.250007 Zn\n0.749999 0.916662 0.579202 Zn\n0.749999 0.916647 0.920802 Zn\n0.250000 0.749998 0.500003 N\n0.749999 0.583391 0.250001 N\n0.749999 0.249998 -0.000003 N\n0.749999 0.916609 0.750001 N\n0.749999 0.250002 0.499997 N\n0.250000 0.083391 0.249999 N\n0.250000 0.416609 0.749999 N\n0.250000 0.750002 0.000003 N\n",
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{
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"updated_at": "2022-09-04T14:38:28.769889Z",
"structure_string": "Zn24 N16\n1.0\n8.032756 -0.000000 -2.840008\n-4.016377 6.956570 -2.840008\n-0.000000 -0.000000 8.520024\nZn N\n24 16\ndirect\n0.449904 0.479295 0.228462 Zn\n0.221441 0.271537 0.750831 Zn\n0.020705 0.470609 0.749168 Zn\n0.470609 0.749168 0.020705 Zn\n0.750832 0.221441 0.271537 Zn\n0.029391 0.050096 0.278559 Zn\n0.479295 0.228463 0.449903 Zn\n0.979295 0.529391 0.250831 Zn\n0.278559 0.029391 0.050096 Zn\n0.778559 0.728462 0.249168 Zn\n0.771538 0.550096 0.520704 Zn\n0.550096 0.520705 0.771537 Zn\n0.250831 0.979295 0.529391 Zn\n0.728463 0.249168 0.778558 Zn\n0.949904 0.721441 0.970608 Zn\n0.529392 0.250832 0.979294 Zn\n0.249168 0.778559 0.728462 Zn\n0.721441 0.970609 0.949903 Zn\n0.228462 0.449904 0.479295 Zn\n0.520705 0.771537 0.550096 Zn\n0.749169 0.020705 0.470608 Zn\n0.271537 0.750832 0.221441 Zn\n0.050096 0.278559 0.029391 Zn\n0.970609 0.949904 0.721440 Zn\n0.018295 0.750000 0.768294 N\n0.768295 0.018295 0.750000 N\n0.481705 0.250000 0.731704 N\n0.731705 0.481705 0.250000 N\n0.750000 0.768295 0.018295 N\n0.750000 0.268295 0.518295 N\n0.981705 0.250000 0.231705 N\n0.518295 0.750000 0.268295 N\n0.268295 0.518295 0.749999 N\n0.250000 0.231705 0.981704 N\n-0.000000 0.500000 -0.000000 N\n0.500000 0.000000 -0.000000 N\n0.000000 0.000000 0.500000 N\n0.500000 0.500000 0.500000 N\n0.231705 0.981705 0.249999 N\n0.250000 0.731705 0.481704 N\n",
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{
"id": "jvasp-79370",
"created_at": "2022-09-04T14:37:02.773751Z",
"updated_at": "2022-09-04T14:37:02.773782Z",
"structure_string": "Zn3 Ni1\n1.0\n-1.832128 1.832128 3.923995\n1.832128 -1.832128 3.923995\n1.832128 1.832128 -3.923995\nZn Ni\n3 1\ndirect\n0.750000 0.250000 0.500001 Zn\n0.250000 0.750000 0.500001 Zn\n0.499999 0.499999 0.000000 Zn\n0.000000 0.000000 0.000000 Ni\n",
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},
{
"id": "jvasp-21578",
"created_at": "2022-09-04T14:37:41.022519Z",
"updated_at": "2022-09-04T14:37:41.022538Z",
"structure_string": "Zn3 Ni20 B6\n1.0\n6.447678 0.000000 3.722569\n2.149226 6.078929 3.722569\n0.000000 0.000000 7.445137\nZn Ni B\n3 20 6\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750001 0.750000 0.750000 Zn\n0.250000 0.250000 0.250000 Zn\n0.383212 0.383212 0.850365 Ni\n0.850365 0.383212 0.383212 Ni\n0.383212 0.850365 0.383212 Ni\n0.149635 0.616788 0.616788 Ni\n0.616789 0.616788 0.149635 Ni\n0.383212 0.383212 0.383212 Ni\n0.661882 -0.000000 -0.000000 Ni\n0.616789 0.149635 0.616789 Ni\n0.661882 -0.000000 0.338119 Ni\n0.000000 0.661881 -0.000000 Ni\n0.661882 0.338119 -0.000000 Ni\n-0.000000 -0.000000 0.661882 Ni\n0.338119 -0.000000 0.661882 Ni\n0.000000 0.338119 0.661881 Ni\n0.338119 0.661881 -0.000000 Ni\n-0.000000 -0.000000 0.338119 Ni\n0.338119 -0.000000 -0.000000 Ni\n0.616789 0.616788 0.616788 Ni\n0.000000 0.661881 0.338119 Ni\n0.000000 0.338119 -0.000000 Ni\n0.724895 0.275106 0.275106 B\n0.724895 0.724895 0.275105 B\n0.275106 0.275106 0.724895 B\n0.724895 0.275106 0.724895 B\n0.275106 0.724895 0.275105 B\n0.275106 0.724895 0.724895 B\n",
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{
"id": "jvasp-45907",
"created_at": "2022-09-04T14:38:05.983683Z",
"updated_at": "2022-09-04T14:38:05.983714Z",
"structure_string": "Zn3 Ni7 O10\n1.0\n2.123017 -2.123017 -0.000000\n-2.123017 0.000000 -2.123017\n14.743700 14.743700 -12.620682\nZn Ni O\n3 7 10\ndirect\n0.999392 0.998784 0.998173 Zn\n0.100000 0.200000 0.300000 Zn\n0.200609 0.401217 0.601827 Zn\n0.299010 0.598020 0.897030 Ni\n0.900991 0.801981 0.702970 Ni\n0.500148 0.000294 0.500441 Ni\n0.600001 0.200000 0.800000 Ni\n0.699853 0.399707 0.099559 Ni\n0.399534 0.799070 0.198602 Ni\n0.800467 0.600932 0.401398 Ni\n0.949447 0.898893 0.848338 O\n0.349977 0.699955 0.049931 O\n0.049690 0.099378 0.149069 O\n0.749405 0.498809 0.248213 O\n0.450596 0.901192 0.351787 O\n0.150310 0.300622 0.450931 O\n0.850025 0.700047 0.550069 O\n0.551230 0.102457 0.653687 O\n0.250554 0.501108 0.751662 O\n0.648771 0.297542 0.946313 O\n",
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{
"id": "jvasp-78996",
"created_at": "2022-09-04T14:36:34.124334Z",
"updated_at": "2022-09-04T14:36:34.124363Z",
"structure_string": "Zn3 Os1\n1.0\n-1.843569 1.843569 4.172063\n1.843569 -1.843569 4.172063\n1.843569 1.843569 -4.172063\nZn Os\n3 1\ndirect\n0.750000 0.249999 0.500001 Zn\n0.249999 0.750000 0.500001 Zn\n0.500001 0.500001 0.000000 Zn\n0.000000 0.000000 0.000000 Os\n",
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{
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{
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"created_at": "2022-09-04T14:37:28.244037Z",
"updated_at": "2022-09-04T14:37:28.244057Z",
"structure_string": "Zn6 P4\n1.0\n5.730438 0.000000 0.000000\n0.000000 5.730438 -0.000000\n0.000000 0.000000 5.730438\nZn P\n6 4\ndirect\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.500000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.250000 0.750000 0.750000 P\n0.750000 0.750000 0.250000 P\n0.750000 0.250000 0.750000 P\n0.250000 0.250000 0.250000 P\n",
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"density": 4.556475336786148,
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"formula_full": "Zn6 P4",
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"spacegroup": 224
},
{
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"created_at": "2022-09-04T14:36:47.170595Z",
"updated_at": "2022-09-04T14:36:47.170612Z",
"structure_string": "Zn3 P1 Br3\n1.0\n4.041715 -0.000000 0.000000\n0.000000 6.609176 0.076449\n0.000000 -0.046026 6.920494\nZn P Br\n3 1 3\ndirect\n-0.000000 0.470777 0.692784 Zn\n0.499999 0.505966 0.123161 Zn\n0.499999 0.027027 0.855964 Zn\n0.499999 0.372561 0.818620 P\n-0.000000 0.870131 0.671033 Br\n0.499999 0.872973 0.181200 Br\n-0.000000 0.376564 0.323887 Br\n",
"nsites": 7,
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"elements": [
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],
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"density": 4.193738375253419,
"density_atomic": 0.03786295730032377,
"volume": 184.87726525101996,
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"formula_full": "Zn3 P1 Br3",
"formula_reduced": "Zn3PBr3",
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"spacegroup": 6
},
{
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"created_at": "2022-09-04T14:37:17.162660Z",
"updated_at": "2022-09-04T14:37:17.162688Z",
"structure_string": "Zn3 Pd1\n1.0\n-1.881875 1.881875 4.092049\n1.881875 -1.881875 4.092049\n1.881875 1.881875 -4.092049\nZn Pd\n3 1\ndirect\n0.750000 0.249999 0.500001 Zn\n0.249999 0.750000 0.500001 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Pd\n",
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"density": 8.669680805901807,
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"formula_full": "Zn3 Pd1",
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"spacegroup": 139
}
]
}