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{
"id": "jvasp-19034",
"created_at": "2022-09-04T14:37:28.817682Z",
"updated_at": "2022-09-04T14:37:28.817710Z",
"structure_string": "Sr2 Te6 O16\n1.0\n6.893352 -0.000000 0.000000\n0.000000 6.893352 0.000000\n0.000000 0.000000 6.850059\nSr Te O\n2 6 16\ndirect\n0.000000 0.000000 0.250000 Sr\n0.000000 0.000000 0.750000 Sr\n0.779982 0.561757 0.000000 Te\n0.561757 0.220017 0.500000 Te\n0.438243 0.779982 0.500000 Te\n0.220017 0.438243 0.000000 Te\n0.500000 0.000000 0.000000 Te\n-0.000000 0.500000 0.500000 Te\n0.589308 0.190436 0.193882 O\n0.809564 0.589308 0.693882 O\n0.809564 0.589308 0.306118 O\n0.589308 0.190436 0.806118 O\n0.410692 0.809564 0.806118 O\n0.190436 0.410692 0.306118 O\n0.242943 0.117227 0.000000 O\n0.045236 0.678426 0.000000 O\n0.882773 0.242943 0.500000 O\n0.757056 0.882773 0.000000 O\n0.410692 0.809564 0.193882 O\n0.678426 0.954764 0.500000 O\n0.321574 0.045236 0.500000 O\n0.954764 0.321574 0.000000 O\n0.117227 0.757056 0.500000 O\n0.190436 0.410692 0.693882 O\n",
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{
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"structure_string": "Sr2 Tc2 N6\n1.0\n1.321804 3.965853 -0.000000\n0.000000 0.000000 5.702115\n6.644536 -0.011397 0.000000\nSr Tc N\n2 2 6\ndirect\n0.370977 0.250000 0.258045 Sr\n0.629021 0.749999 0.741955 Sr\n0.904275 0.749999 0.191448 Tc\n0.095723 0.250000 0.808552 Tc\n0.850284 0.250000 0.604410 N\n0.545305 0.250000 0.604410 N\n0.000000 0.500000 0.000000 N\n0.149714 0.749999 0.395590 N\n0.454693 0.749999 0.395590 N\n0.000000 0.000000 0.000000 N\n",
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"formula_full": "Sr2 Tc2 N6",
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{
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"created_at": "2022-09-04T14:36:15.234786Z",
"updated_at": "2022-09-04T14:36:15.234811Z",
"structure_string": "Sr2 Tc1 O4\n1.0\n3.865749 -0.000000 0.000000\n-0.000000 3.865749 0.000000\n-1.932875 -1.932875 6.494062\nSr Tc O\n2 1 4\ndirect\n0.648950 0.648950 0.297897 Sr\n0.351052 0.351052 0.702102 Sr\n0.000000 0.000000 0.000000 Tc\n0.500000 -0.000000 -0.000000 O\n-0.000000 0.500000 -0.000000 O\n0.836973 0.836973 0.673943 O\n0.163029 0.163029 0.326056 O\n",
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"formula_full": "Sr2 Tc1 O4",
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"spacegroup": 139
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{
"id": "jvasp-25966",
"created_at": "2022-09-04T14:38:33.606003Z",
"updated_at": "2022-09-04T14:38:33.606027Z",
"structure_string": "Sr2 Ta8 O22\n1.0\n3.151655 -5.458826 -0.000000\n3.151655 5.458826 0.000000\n-0.000000 0.000000 12.456677\nSr Ta O\n2 8 22\ndirect\n0.666668 0.333334 0.250000 Sr\n0.333334 0.666668 0.750000 Sr\n0.357358 0.000000 0.000000 Ta\n0.642644 0.642644 0.000000 Ta\n0.357358 0.357358 0.500000 Ta\n0.000000 0.642643 0.500000 Ta\n0.000000 0.357358 0.000000 Ta\n0.666668 0.333334 0.750000 Ta\n0.333334 0.666668 0.250000 Ta\n0.642643 0.000000 0.500000 Ta\n0.629745 0.567530 0.845498 O\n0.370257 0.937786 0.154502 O\n0.629745 0.062216 0.654502 O\n0.432472 0.062216 0.845498 O\n0.937786 0.567530 0.654502 O\n0.432472 0.370256 0.654502 O\n0.370256 0.432472 0.345498 O\n0.062216 0.629745 0.345498 O\n0.937786 0.370257 0.845498 O\n0.567530 0.937786 0.345498 O\n0.245934 0.000000 0.500000 O\n0.754067 0.000000 0.000000 O\n0.245934 0.245934 0.000000 O\n0.754067 0.754067 0.500000 O\n0.567530 0.629745 0.154502 O\n0.000000 0.754067 0.000000 O\n0.333334 0.666668 0.965624 O\n0.666668 0.333334 0.465624 O\n0.666668 0.333334 0.034376 O\n0.333334 0.666668 0.534376 O\n0.000000 0.245934 0.500000 O\n0.062216 0.432472 0.154502 O\n",
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"formula_full": "Sr2 Ta8 O22",
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{
"id": "jvasp-88807",
"created_at": "2022-09-04T14:36:20.722688Z",
"updated_at": "2022-09-04T14:36:20.722711Z",
"structure_string": "Sr2 Ta2 N2 O4\n1.0\n4.974272 -0.164376 -2.997126\n-3.349974 4.742994 0.187714\n-0.115975 0.164262 5.806319\nSr Ta N O\n2 2 2 4\ndirect\n0.499990 0.255515 0.755492 Sr\n0.500022 0.755513 0.255519 Sr\n-0.000007 0.017005 0.017010 Ta\n-0.000002 0.517007 0.517015 Ta\n-0.000015 0.240416 0.240399 N\n0.000014 0.740415 0.740427 N\n0.102463 0.294751 0.794755 O\n0.499994 0.794750 0.692298 O\n0.897532 0.692304 0.192304 O\n0.500000 0.192317 0.294770 O\n",
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"density": 7.817342282074271,
"density_atomic": 0.07482695390185229,
"volume": 133.64168228893328,
"volume_molar": 8.048090221471554,
"formula_full": "Sr2 Ta2 N2 O4",
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"spacegroup": 108
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{
"id": "jvasp-109829",
"created_at": "2022-09-04T14:37:52.818560Z",
"updated_at": "2022-09-04T14:37:52.818581Z",
"structure_string": "Sr2 Ta2 N2 O4\n1.0\n4.003464 -0.000000 0.000000\n0.000000 5.795170 0.000000\n-0.000000 -0.000000 5.785614\nSr Ta N O\n2 2 2 4\ndirect\n0.499999 0.762559 0.516524 Sr\n0.499999 0.237441 0.016524 Sr\n-0.000000 0.734821 0.015130 Ta\n-0.000000 0.265179 0.515130 Ta\n-0.000000 0.485067 0.762163 N\n-0.000000 0.514933 0.262163 N\n0.499999 0.771614 0.988870 O\n-0.000000 0.978685 0.717353 O\n-0.000000 0.021314 0.217353 O\n0.499999 0.228386 0.488870 O\n",
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"density": 7.783044230000614,
"density_atomic": 0.07449865578353608,
"volume": 134.23060986571468,
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"formula_full": "Sr2 Ta2 N2 O4",
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{
"id": "jvasp-97627",
"created_at": "2022-09-04T14:35:53.932848Z",
"updated_at": "2022-09-04T14:35:53.932863Z",
"structure_string": "Sr2 Ta2 F14\n1.0\n4.883474 -0.000465 0.000000\n-0.501539 6.723822 0.000000\n0.000000 0.000000 7.240070\nSr Ta F\n2 2 14\ndirect\n0.968749 0.683014 0.250000 Sr\n0.031250 0.316985 0.750000 Sr\n0.536351 0.216949 0.250000 Ta\n0.463648 0.783050 0.750000 Ta\n0.584771 0.505003 0.750000 F\n0.319721 0.212487 0.473948 F\n0.160006 0.954003 0.750000 F\n0.680278 0.787512 0.973948 F\n0.192084 0.640993 0.574118 F\n0.807915 0.359006 0.425882 F\n0.839993 0.045996 0.250000 F\n0.192084 0.640993 0.925882 F\n0.319721 0.212487 0.026052 F\n0.643792 0.056515 0.750000 F\n0.680278 0.787512 0.526052 F\n0.356207 0.943484 0.250000 F\n0.807915 0.359006 0.074118 F\n0.415227 0.494996 0.250000 F\n",
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"volume": 237.73042579879845,
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{
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"created_at": "2022-09-04T14:38:53.747463Z",
"updated_at": "2022-09-04T14:38:53.747490Z",
"structure_string": "Sr2 Ta1 N2\n1.0\n-1.863524 1.863524 7.054525\n1.863524 -1.863524 7.054525\n1.863524 1.863524 -7.054525\nSr Ta N\n2 1 2\ndirect\n0.660064 0.660064 0.000000 Sr\n0.339936 0.339936 0.000000 Sr\n0.000000 0.000000 0.000000 Ta\n0.859414 0.859414 0.000000 N\n0.140586 0.140586 0.000000 N\n",
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{
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"created_at": "2022-09-04T14:36:59.891655Z",
"updated_at": "2022-09-04T14:36:59.891680Z",
"structure_string": "Sr2 Ta1 Mn1 O6\n1.0\n4.874027 -0.000000 2.814021\n1.624676 4.595277 2.814021\n-0.000000 -0.000000 5.628041\nSr Ta Mn O\n2 1 1 6\ndirect\n0.750001 0.750001 0.749999 Sr\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Ta\n0.500001 0.500000 0.499999 Mn\n0.750218 0.750218 0.249782 O\n0.249783 0.750218 0.249782 O\n0.750218 0.249783 0.249782 O\n0.249783 0.249783 0.750217 O\n0.750218 0.249783 0.750216 O\n0.249783 0.750218 0.750216 O\n",
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{
"id": "jvasp-10974",
"created_at": "2022-09-04T14:37:13.598271Z",
"updated_at": "2022-09-04T14:37:13.598297Z",
"structure_string": "Sr2 Ta1 Ga1 O6\n1.0\n4.847377 -0.000000 -2.796247\n-1.613037 4.571124 -2.796248\n0.016713 0.023622 5.628632\nSr Ta Ga O\n2 1 1 6\ndirect\n0.249999 0.749999 0.499999 Sr\n0.750000 0.250000 0.499999 Sr\n0.500000 0.500000 -0.000001 Ta\n0.000000 0.000000 0.000000 Ga\n0.716158 0.783382 0.999998 O\n0.216616 0.716158 -0.000001 O\n0.783383 0.283841 0.999999 O\n0.283841 0.216617 -0.000000 O\n0.250652 0.250652 0.501304 O\n0.749347 0.749346 0.498694 O\n",
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{
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"created_at": "2022-09-04T14:37:40.098289Z",
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"structure_string": "Sr2 Ta1 Cr1 O6\n1.0\n4.854988 -0.000000 2.803029\n1.618330 4.577327 2.803029\n0.000000 0.000000 5.606058\nSr Ta Cr O\n2 1 1 6\ndirect\n0.250001 0.249999 0.250000 Sr\n0.749999 0.750000 0.749999 Sr\n0.500001 0.500001 0.500000 Ta\n0.000000 0.000000 0.000000 Cr\n0.249022 0.750979 0.750977 O\n0.249022 0.750979 0.249023 O\n0.750978 0.249022 0.750978 O\n0.249023 0.249022 0.750978 O\n0.750978 0.249022 0.249023 O\n0.750977 0.750979 0.249024 O\n",
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"density_atomic": 0.08026797623638822,
"volume": 124.58268501189218,
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"formula_full": "Sr2 Ta1 Cr1 O6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-74421",
"created_at": "2022-09-04T14:36:21.975118Z",
"updated_at": "2022-09-04T14:36:21.975146Z",
"structure_string": "Sr2 Ta1 Be1\n1.0\n-2.397157 2.397157 4.506587\n2.397157 -2.397157 4.506587\n2.397157 2.397157 -4.506587\nSr Ta Be\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750001 0.500001 Sr\n0.500000 0.500000 0.000000 Ta\n0.750001 0.250000 0.500001 Be\n",
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"spacegroup": 119
}
]
}