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{
"id": "jvasp-13310",
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"structure_string": "Ca2 Nd4 S8\n1.0\n7.413920 0.024387 -0.000000\n-2.448315 6.998039 0.000000\n-2.482802 -3.511213 6.039360\nCa Nd S\n2 4 8\ndirect\n0.625000 0.375000 0.250000 Ca\n0.875000 0.125001 0.750000 Ca\n0.121594 0.750000 0.871593 Nd\n0.250001 0.621593 0.371593 Nd\n0.378407 0.250000 0.628407 Nd\n0.750001 0.878407 0.128407 Nd\n0.002294 0.857521 0.502525 S\n-0.000231 0.354995 0.497475 S\n0.142480 0.145005 0.144774 S\n0.357521 0.502293 0.002525 S\n0.497707 0.000232 0.855226 S\n0.645006 0.642480 0.644774 S\n0.500232 0.997707 0.355226 S\n0.854996 0.499770 0.997475 S\n",
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"structure_string": "Ca2 Nd4 Te8\n1.0\n8.273805 0.047128 -0.000000\n-2.713503 7.816328 -0.000000\n-2.780151 -3.931728 6.728325\nCa Nd Te\n2 4 8\ndirect\n0.625001 0.375000 0.250000 Ca\n0.875001 0.125000 0.750001 Ca\n0.125446 0.750000 0.875446 Nd\n0.250001 0.625446 0.375446 Nd\n0.374555 0.250000 0.624555 Nd\n0.750001 0.874555 0.124555 Nd\n0.002320 0.857057 0.503049 Te\n-0.000728 0.354009 0.496952 Te\n0.497681 0.000729 0.854738 Te\n0.142943 0.145991 0.145262 Te\n0.357058 0.502320 0.003048 Te\n0.645992 0.642943 0.645263 Te\n0.500730 0.997681 0.354738 Te\n0.854010 0.499272 0.996952 Te\n",
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{
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"updated_at": "2022-09-04T14:37:57.117475Z",
"structure_string": "Ca1 Nd1 Zn2\n1.0\n0.000184 3.655267 3.655267\n3.655267 0.000184 3.655267\n3.655267 3.655267 0.000184\nCa Nd Zn\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Nd\n0.999969 0.999969 0.999969 Zn\n0.500030 0.500030 0.500030 Zn\n",
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"spacegroup": 225
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{
"id": "jvasp-78435",
"created_at": "2022-09-04T14:37:16.119127Z",
"updated_at": "2022-09-04T14:37:16.119162Z",
"structure_string": "Ca1 Ni1\n1.0\n3.398348 -0.000000 0.000000\n0.000000 3.398348 -0.000000\n0.000000 0.000000 3.398348\nCa Ni\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ni\n",
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"elements": [
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"volume": 39.24673647235232,
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{
"id": "jvasp-20660",
"created_at": "2022-09-04T14:38:06.086254Z",
"updated_at": "2022-09-04T14:38:06.086283Z",
"structure_string": "Ca2 Ni4\n1.0\n4.391569 -0.000000 2.535473\n1.463857 4.140410 2.535473\n-0.000000 0.000000 5.070947\nCa Ni\n2 4\ndirect\n0.875001 0.875000 0.874999 Ca\n0.125000 0.125000 0.125000 Ca\n0.500001 0.500000 0.499999 Ni\n0.500001 0.500000 -0.000001 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n",
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"elements": [
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{
"id": "jvasp-20754",
"created_at": "2022-09-04T14:37:38.621353Z",
"updated_at": "2022-09-04T14:37:38.621385Z",
"structure_string": "Ca2 Ni4\n1.0\n4.391569 -0.000000 2.535473\n1.463857 4.140410 2.535473\n0.000000 0.000000 5.070947\nCa Ni\n2 4\ndirect\n0.875001 0.875000 0.874999 Ca\n0.125000 0.125000 0.125000 Ca\n0.500001 0.500000 0.499999 Ni\n0.500001 0.500000 -0.000001 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n",
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"formula_full": "Ca2 Ni4",
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"spacegroup": 227
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{
"id": "jvasp-75526",
"created_at": "2022-09-04T14:35:59.398919Z",
"updated_at": "2022-09-04T14:35:59.398950Z",
"structure_string": "Ca1 Ni2 As1\n1.0\n0.000000 3.171813 3.171813\n3.171813 0.000000 3.171813\n3.171813 3.171813 -0.000000\nCa Ni As\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Ca\n0.000000 0.000000 0.000000 Ni\n0.250000 0.250000 0.250000 Ni\n0.499999 0.499999 0.499999 As\n",
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"spacegroup": 216
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{
"id": "jvasp-61049",
"created_at": "2022-09-04T14:36:08.691394Z",
"updated_at": "2022-09-04T14:36:08.691424Z",
"structure_string": "Ca1 Ni12 B6\n1.0\n3.698776 -4.773642 -0.005882\n3.698776 4.773642 -0.005882\n-2.453304 -0.000000 5.518145\nCa Ni B\n1 12 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.869341 0.130662 0.500001 Ni\n0.544637 0.544637 0.813077 Ni\n0.455366 0.186925 0.455365 Ni\n0.186925 0.455366 0.455365 Ni\n0.455366 0.455366 0.186924 Ni\n0.130662 0.869341 0.500001 Ni\n0.869341 0.500001 0.130661 Ni\n0.500001 0.130662 0.869341 Ni\n0.813078 0.544637 0.544636 Ni\n0.130662 0.500001 0.869341 Ni\n0.500001 0.869341 0.130661 Ni\n0.544637 0.813078 0.544636 Ni\n0.334427 0.764464 0.764464 B\n0.764464 0.334427 0.764464 B\n0.764464 0.764464 0.334426 B\n0.235538 0.665575 0.235538 B\n0.665575 0.235538 0.235538 B\n0.235538 0.235538 0.665575 B\n",
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{
"id": "jvasp-62875",
"created_at": "2022-09-04T14:36:15.002439Z",
"updated_at": "2022-09-04T14:36:15.002467Z",
"structure_string": "Ca1 Ni12 B6\n1.0\n3.698822 -4.773775 -0.005421\n3.698822 4.773775 -0.005421\n-2.454213 0.000000 5.517888\nCa Ni B\n1 12 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.869348 0.130652 Ni\n0.186930 0.455379 0.455380 Ni\n0.544621 0.813070 0.544621 Ni\n0.544621 0.544621 0.813070 Ni\n0.813070 0.544621 0.544621 Ni\n0.500000 0.130652 0.869349 Ni\n0.869348 0.500000 0.130652 Ni\n0.130652 0.869348 0.500000 Ni\n0.455379 0.455379 0.186931 Ni\n0.130652 0.500000 0.869349 Ni\n0.869348 0.130652 0.500000 Ni\n0.455379 0.186930 0.455380 Ni\n0.235529 0.235529 0.665575 B\n0.235529 0.665575 0.235529 B\n0.665575 0.235529 0.235529 B\n0.764471 0.334425 0.764471 B\n0.764471 0.764471 0.334426 B\n0.334425 0.764471 0.764471 B\n",
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{
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"created_at": "2022-09-04T14:37:33.280129Z",
"updated_at": "2022-09-04T14:37:33.280150Z",
"structure_string": "Ca2 Ni8 O12\n1.0\n3.027488 0.000000 0.000000\n-1.513744 4.833384 0.000000\n0.000000 0.000000 14.709895\nCa Ni O\n2 8 12\ndirect\n0.659661 0.319321 0.750000 Ca\n0.340341 0.680679 0.250000 Ca\n0.862606 0.725213 0.041088 Ni\n0.410887 0.821770 0.632739 Ni\n0.137393 0.274785 0.958912 Ni\n0.589115 0.178229 0.367262 Ni\n0.862606 0.725213 0.458912 Ni\n0.137393 0.274785 0.541089 Ni\n0.589115 0.178229 0.132738 Ni\n0.410887 0.821770 0.867262 Ni\n0.776228 0.552455 0.577640 O\n0.223773 0.447545 0.422360 O\n0.223773 0.447545 0.077640 O\n0.776228 0.552455 0.922360 O\n0.042138 0.084274 0.651066 O\n0.499999 0.000000 0.500000 O\n0.957864 0.915726 0.151066 O\n0.042138 0.084274 0.848935 O\n0.499999 0.000000 0.000000 O\n0.332145 0.664290 0.750000 O\n0.957864 0.915726 0.348934 O\n0.667854 0.335709 0.250000 O\n",
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{
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"structure_string": "Ca2 Ni4 O10\n1.0\n3.658714 -0.000000 -0.000000\n-1.829356 5.647666 0.000000\n0.000000 -0.000000 11.059971\nCa Ni O\n2 4 10\ndirect\n0.918045 0.836091 0.750000 Ca\n0.081955 0.163911 0.250000 Ca\n0.228948 0.457899 0.597913 Ni\n0.771050 0.542103 0.402085 Ni\n0.771050 0.542103 0.097914 Ni\n0.228948 0.457899 0.902086 Ni\n0.702861 0.405724 0.250000 O\n0.297139 0.594278 0.750000 O\n0.217616 0.435231 0.071539 O\n0.782384 0.564771 0.928461 O\n0.782384 0.564771 0.571539 O\n0.217616 0.435231 0.428460 O\n0.077913 0.155826 0.633598 O\n0.922086 0.844174 0.366401 O\n0.077913 0.155826 0.866401 O\n0.922086 0.844174 0.133599 O\n",
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{
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"created_at": "2022-09-04T14:38:34.547985Z",
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"structure_string": "Ca2 Ni8 Sn4\n1.0\n6.318246 -0.025831 -2.300357\n-3.213741 5.511464 -2.123247\n-0.015062 0.025831 6.723961\nCa Ni Sn\n2 8 4\ndirect\n-0.000000 0.250000 0.250000 Ca\n-0.000000 0.749999 0.749999 Ca\n0.500000 0.474883 0.694410 Ni\n0.219527 0.694410 0.194410 Ni\n0.780473 0.974883 0.474883 Ni\n0.780474 0.305589 0.805589 Ni\n0.219527 0.025116 0.525116 Ni\n0.500001 0.194411 0.974883 Ni\n0.500000 0.805589 0.025115 Ni\n0.500000 0.525116 0.305589 Ni\n0.500000 0.158428 0.341572 Sn\n0.183144 0.341571 0.841571 Sn\n0.816857 0.658428 0.158427 Sn\n0.500000 0.841571 0.658427 Sn\n",
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]
}