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{
"id": "jvasp-99383",
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"updated_at": "2022-09-04T14:36:18.384363Z",
"structure_string": "Ca2 Mg4\n1.0\n5.347818 -0.000000 3.087564\n1.782606 5.041971 3.087564\n-0.000000 -0.000000 6.175128\nCa Mg\n2 4\ndirect\n0.750001 0.750000 0.749999 Ca\n0.500001 0.500000 0.499999 Ca\n0.125001 0.625000 0.124999 Mg\n0.125000 0.125000 0.125000 Mg\n0.625000 0.125000 0.124999 Mg\n0.125000 0.125000 0.625000 Mg\n",
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{
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"structure_string": "Ca3 Mg3\n1.0\n3.688936 0.000000 0.000000\n-1.844468 3.194711 -0.000000\n-0.000000 -0.000000 16.456631\nCa Mg\n3 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666668 0.333333 0.333333 Ca\n0.333333 0.666667 0.666667 Ca\n0.333333 0.666667 0.166667 Mg\n0.000000 0.000000 0.500000 Mg\n0.666668 0.333333 0.833333 Mg\n",
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{
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"structure_string": "Ca4 Mg2\n1.0\n3.780936 -0.000000 -0.000000\n-1.890468 3.274386 0.000000\n-0.000000 0.000000 17.156790\nCa Mg\n4 2\ndirect\n0.333333 0.666668 0.907306 Ca\n0.333333 0.666668 0.592694 Ca\n0.666668 0.333333 0.407306 Ca\n0.666668 0.333333 0.092694 Ca\n0.666668 0.333333 0.750000 Mg\n0.333333 0.666668 0.250000 Mg\n",
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{
"id": "jvasp-90600",
"created_at": "2022-09-04T14:36:12.644138Z",
"updated_at": "2022-09-04T14:36:12.644149Z",
"structure_string": "Ca6 Mg2\n1.0\n5.199041 0.000000 0.000000\n0.000000 5.199041 0.000000\n-0.000000 0.000000 10.466397\nCa Mg\n6 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.500000 0.750000 Ca\n0.500000 0.000000 0.750000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.250000 Ca\n0.000000 0.500000 0.250000 Ca\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n",
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"volume": 282.90699684862733,
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"formula_full": "Ca6 Mg2",
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"spacegroup": 139
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{
"id": "jvasp-93323",
"created_at": "2022-09-04T14:36:17.811343Z",
"updated_at": "2022-09-04T14:36:17.811375Z",
"structure_string": "Ca4 Mg2\n1.0\n3.762704 -0.000000 0.000000\n-1.881352 3.258597 -0.000000\n0.000000 0.000000 17.267411\nCa Mg\n4 2\ndirect\n0.333333 0.666668 0.907539 Ca\n0.666667 0.333333 0.722757 Ca\n0.333333 0.666668 0.277243 Ca\n0.666667 0.333333 0.092461 Ca\n0.333333 0.666668 0.567608 Mg\n0.666667 0.333333 0.432392 Mg\n",
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{
"id": "jvasp-93319",
"created_at": "2022-09-04T14:36:01.068935Z",
"updated_at": "2022-09-04T14:36:01.068945Z",
"structure_string": "Ca2 Mg4\n1.0\n3.558491 0.000000 0.000000\n-1.779246 3.081744 0.000000\n0.000000 0.000000 16.049732\nCa Mg\n2 4\ndirect\n0.000000 0.000000 0.325118 Ca\n0.000000 0.000000 0.674882 Ca\n0.000000 0.000000 0.000000 Mg\n0.666666 0.333333 0.152626 Mg\n0.666666 0.333333 0.500000 Mg\n0.666666 0.333333 0.847374 Mg\n",
"nsites": 6,
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{
"id": "jvasp-116963",
"created_at": "2022-09-04T14:38:47.717465Z",
"updated_at": "2022-09-04T14:38:47.717488Z",
"structure_string": "Ca1 Mn28\n1.0\n7.054808 -0.000000 -2.494251\n-3.527404 6.109643 -2.494251\n-0.000000 -0.000000 7.482754\nCa Mn\n1 28\ndirect\n0.000000 0.000000 0.000000 Ca\n0.621422 0.621421 0.821240 Mn\n0.199819 0.000000 0.378579 Mn\n0.000000 0.199819 0.378579 Mn\n0.800181 0.800180 0.178760 Mn\n0.800181 0.178759 0.800181 Mn\n0.000000 0.378579 0.199819 Mn\n0.199819 0.378579 0.000000 Mn\n0.378579 0.000000 0.199819 Mn\n0.178760 0.800180 0.800181 Mn\n0.378579 0.199819 0.000000 Mn\n0.605849 0.287517 0.605848 Mn\n0.287518 0.605848 0.605848 Mn\n0.821241 0.621421 0.621421 Mn\n0.605849 0.605848 0.287518 Mn\n0.000000 0.681669 0.394151 Mn\n0.318331 0.318331 0.712482 Mn\n0.318331 0.712482 0.318331 Mn\n0.000000 0.394151 0.681669 Mn\n0.681669 0.394151 0.000000 Mn\n0.394152 0.000000 0.681669 Mn\n0.712483 0.318331 0.318331 Mn\n0.394152 0.681669 0.000000 Mn\n0.378004 0.378003 0.378003 Mn\n0.000000 0.000000 0.621996 Mn\n0.000000 0.621996 0.000000 Mn\n0.621997 0.000000 0.000000 Mn\n0.681669 0.000000 0.394151 Mn\n0.621422 0.821240 0.621421 Mn\n",
"nsites": 29,
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"elements": [
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"volume": 322.52434408010464,
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"formula_full": "Ca1 Mn28",
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"spacegroup": 217
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{
"id": "jvasp-11110",
"created_at": "2022-09-04T14:38:32.968493Z",
"updated_at": "2022-09-04T14:38:32.968520Z",
"structure_string": "Ca6 N4\n1.0\n1.945429 -3.369582 0.000000\n1.945429 3.369582 0.000000\n0.000000 0.000000 12.768970\nCa N\n6 4\ndirect\n0.000000 0.000000 0.250000 Ca\n0.000000 0.000000 0.750000 Ca\n0.333333 0.666667 0.412375 Ca\n0.666667 0.333333 0.912375 Ca\n0.666667 0.333333 0.587625 Ca\n0.333333 0.666667 0.087625 Ca\n0.333333 0.666667 0.750000 N\n0.666667 0.333333 0.250000 N\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
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"formula_full": "Ca6 N4",
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"spacegroup": 194
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{
"id": "jvasp-7775",
"created_at": "2022-09-04T14:37:04.389354Z",
"updated_at": "2022-09-04T14:37:04.389374Z",
"structure_string": "Ca3 N2\n1.0\n1.941068 -3.362028 0.000000\n1.941068 3.362028 -0.000000\n0.000000 -0.000000 6.579099\nCa N\n3 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666668 0.333333 0.660508 Ca\n0.333333 0.666668 0.339492 Ca\n0.666668 0.333333 0.235761 N\n0.333333 0.666668 0.764240 N\n",
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{
"id": "jvasp-20340",
"created_at": "2022-09-04T14:38:28.932920Z",
"updated_at": "2022-09-04T14:38:28.932954Z",
"structure_string": "Ca24 N16\n1.0\n9.316271 -0.000000 -3.293799\n-4.658135 8.068127 -3.293799\n0.000000 0.000000 9.881397\nCa N\n24 16\ndirect\n0.455735 0.463207 0.227522 Ca\n0.228213 0.272478 0.735684 Ca\n0.036793 0.492529 0.764316 Ca\n0.492529 0.764316 0.036793 Ca\n0.735684 0.228213 0.272478 Ca\n0.007471 0.044265 0.271787 Ca\n0.463207 0.227522 0.455736 Ca\n0.963207 0.507471 0.235684 Ca\n0.271787 0.007471 0.044265 Ca\n0.771787 0.727522 0.264316 Ca\n0.772478 0.544265 0.536793 Ca\n0.544264 0.536793 0.772478 Ca\n0.235684 0.963208 0.507471 Ca\n0.727522 0.264316 0.771787 Ca\n0.955735 0.728213 0.992529 Ca\n0.507471 0.235684 0.963207 Ca\n0.264316 0.771787 0.727522 Ca\n0.728213 0.992530 0.955736 Ca\n0.227522 0.455736 0.463207 Ca\n0.536793 0.772478 0.544265 Ca\n0.764316 0.036793 0.492529 Ca\n0.272478 0.735684 0.228213 Ca\n0.044264 0.271787 0.007471 Ca\n0.992529 0.955736 0.728213 Ca\n0.039570 0.750000 0.789570 N\n0.789570 0.039570 0.750000 N\n0.460430 0.250000 0.710430 N\n0.710430 0.460430 0.250000 N\n0.750000 0.789570 0.039570 N\n0.750000 0.289570 0.539570 N\n0.960430 0.250000 0.210430 N\n0.539570 0.750000 0.289570 N\n0.289570 0.539570 0.750000 N\n0.250000 0.210430 0.960430 N\n-0.000000 0.500000 -0.000000 N\n0.500000 0.000000 -0.000000 N\n-0.000000 -0.000000 0.500000 N\n0.500000 0.500000 0.500000 N\n0.210430 0.960431 0.250000 N\n0.250000 0.710430 0.460430 N\n",
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{
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"structure_string": "Ca6 N4\n1.0\n5.437737 -0.006232 3.662536\n1.945718 5.077716 3.662536\n-0.009073 -0.006232 6.556147\nCa N\n6 4\ndirect\n0.750000 0.450446 0.049554 Ca\n0.049554 0.750001 0.450446 Ca\n0.450446 0.049555 0.750000 Ca\n0.950446 0.250001 0.549554 Ca\n0.250000 0.549555 0.950446 Ca\n0.549555 0.950447 0.250000 Ca\n0.853962 0.853962 0.853961 N\n0.646040 0.646040 0.646039 N\n0.146040 0.146040 0.146040 N\n0.353961 0.353961 0.353961 N\n",
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"formula_full": "Ca6 N4",
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{
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"updated_at": "2022-09-04T14:37:04.341358Z",
"structure_string": "Ca2 N12\n1.0\n5.280845 0.000000 2.774878\n2.640422 5.528393 1.387439\n0.034258 0.000000 6.347204\nCa N\n2 12\ndirect\n0.625000 0.750000 0.750000 Ca\n0.375000 0.250000 0.250000 Ca\n0.834459 0.386937 0.497961 N\n0.219356 0.113063 0.002040 N\n0.001174 0.250000 0.997651 N\n0.748825 0.250000 0.502348 N\n0.998825 0.750000 0.002349 N\n0.251174 0.750000 0.497652 N\n0.332419 0.886937 0.502040 N\n0.221396 0.613062 0.997960 N\n0.780643 0.886937 0.997960 N\n0.165541 0.613062 0.502040 N\n0.667580 0.113063 0.497960 N\n0.778603 0.386937 0.002040 N\n",
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]
}