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{
"id": "jvasp-12975",
"created_at": "2022-09-04T14:37:14.805982Z",
"updated_at": "2022-09-04T14:37:14.806016Z",
"structure_string": "Ba4 S6\n1.0\n5.650368 0.000000 -2.021845\n-0.723468 5.603860 -2.021845\n0.081981 0.093246 9.135458\nBa S\n4 6\ndirect\n0.953360 0.453360 0.906720 Ba\n0.203360 0.203360 0.406720 Ba\n0.552289 0.052289 0.104577 Ba\n0.802289 0.802289 0.604577 Ba\n0.962961 0.640586 0.281172 S\n0.390586 0.212962 0.781173 S\n0.390586 0.568213 0.781173 S\n0.318212 0.640586 0.281173 S\n0.000379 0.000379 0.000757 S\n0.750379 0.250379 0.500757 S\n",
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{
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"structure_string": "Er8 Te12\n1.0\n7.326579 0.002714 -1.362649\n-2.772575 6.781710 -1.362649\n-0.002172 -0.003237 13.600515\nEr Te\n8 12\ndirect\n0.792200 0.042199 0.084401 Er\n0.207801 0.957799 0.915599 Er\n0.042201 0.792200 0.584401 Er\n0.125228 0.375227 0.750457 Er\n0.624773 0.874771 0.749544 Er\n0.874773 0.624772 0.249544 Er\n0.375228 0.125227 0.250456 Er\n0.957800 0.207799 0.415599 Er\n0.871536 0.621535 0.750000 Te\n0.378464 0.128464 0.750000 Te\n0.540626 0.292575 0.083378 Te\n0.957248 0.209196 0.916623 Te\n0.292575 0.540625 0.583378 Te\n0.790803 0.042751 0.583378 Te\n0.459375 0.707424 0.916623 Te\n0.042753 0.790802 0.083378 Te\n0.707425 0.459374 0.416622 Te\n0.209198 0.957247 0.416622 Te\n0.621536 0.871535 0.250000 Te\n0.128465 0.378464 0.250000 Te\n",
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"spacegroup": 70
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{
"id": "jvasp-36469",
"created_at": "2022-09-04T14:37:31.026895Z",
"updated_at": "2022-09-04T14:37:31.026910Z",
"structure_string": "Sr3 P2\n1.0\n5.644409 0.000000 -0.000000\n0.000000 5.644409 0.000000\n-0.000000 0.000000 5.644409\nSr P\n3 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.500000 P\n",
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{
"id": "jvasp-36672",
"created_at": "2022-09-04T14:37:19.856578Z",
"updated_at": "2022-09-04T14:37:19.856601Z",
"structure_string": "Bi2 O3\n1.0\n1.938838 -3.358167 0.000000\n1.938838 3.358167 0.000000\n-0.000000 0.000000 6.014279\nBi O\n2 3\ndirect\n0.333333 0.666668 0.756775 Bi\n0.666668 0.333333 0.243225 Bi\n0.333333 0.666668 0.368012 O\n0.666668 0.333333 0.631989 O\n0.000000 0.000000 0.000000 O\n",
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{
"id": "jvasp-34661",
"created_at": "2022-09-04T14:37:14.699883Z",
"updated_at": "2022-09-04T14:37:14.699904Z",
"structure_string": "Nd6 O9\n1.0\n3.702069 0.000000 -0.000000\n-1.851035 7.122487 -1.254107\n-0.000000 0.023249 9.040829\nNd O\n6 9\ndirect\n0.634767 0.269533 0.488890 Nd\n0.365235 0.730467 0.511110 Nd\n0.309997 0.619992 0.862070 Nd\n0.965896 0.931788 0.188627 Nd\n0.690005 0.380009 0.137930 Nd\n0.034106 0.068213 0.811372 Nd\n0.474072 0.948142 0.344507 O\n0.525930 0.051859 0.655492 O\n0.201911 0.403820 0.627788 O\n0.129442 0.258884 0.286269 O\n0.500000 -0.000000 0.000000 O\n0.870560 0.741117 0.713731 O\n0.824673 0.649344 0.026753 O\n0.175329 0.350657 0.973246 O\n0.798091 0.596181 0.372212 O\n",
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{
"id": "jvasp-41817",
"created_at": "2022-09-04T14:37:37.414535Z",
"updated_at": "2022-09-04T14:37:37.414553Z",
"structure_string": "Ir4 S6\n1.0\n-6.051712 -0.000001 -0.000001\n3.025856 -5.240937 0.000000\n-3.025857 1.746979 5.285744\nIr S\n4 6\ndirect\n0.647964 0.352036 0.056107 Ir\n0.852035 0.147964 0.443894 Ir\n0.147964 0.852035 0.556107 Ir\n0.352035 0.647964 0.943893 Ir\n0.546898 0.750000 0.250000 S\n0.250000 0.046899 0.250000 S\n0.953100 0.453101 0.250000 S\n0.046899 0.546899 0.750000 S\n0.749999 0.953101 0.750000 S\n0.453101 0.249999 0.750000 S\n",
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"volume": 167.64607319822287,
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"formula_full": "Ir4 S6",
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{
"id": "jvasp-85213",
"created_at": "2022-09-04T14:37:19.499684Z",
"updated_at": "2022-09-04T14:37:19.499710Z",
"structure_string": "Nb4 Te6\n1.0\n3.639925 0.000006 0.753199\n1.563643 7.535439 1.615340\n-0.024792 0.306659 9.291726\nNb Te\n4 6\ndirect\n0.668060 0.547630 0.116242 Nb\n0.331940 0.452371 0.883758 Nb\n0.756105 0.113548 0.374242 Nb\n0.243895 0.886453 0.625759 Nb\n0.410547 0.856037 0.322864 Te\n0.872591 0.212032 0.042797 Te\n0.123446 0.404464 0.348644 Te\n0.876555 0.595537 0.651356 Te\n0.589454 0.143964 0.677136 Te\n0.127409 0.787969 0.957203 Te\n",
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"elements": [
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"density": 7.447687708700387,
"density_atomic": 0.03943898808550759,
"volume": 253.55620124732968,
"volume_molar": 15.26951134482307,
"formula_full": "Nb4 Te6",
"formula_reduced": "Nb2Te3",
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"spacegroup": 12
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{
"id": "jvasp-22549",
"created_at": "2022-09-04T14:37:31.113181Z",
"updated_at": "2022-09-04T14:37:31.113205Z",
"structure_string": "Ga4 Te6\n1.0\n8.474904 0.008726 0.006170\n6.367516 10.954432 -0.047498\n4.245012 4.853709 3.432090\nGa Te\n4 6\ndirect\n0.121408 0.993109 0.246179 Ga\n0.125913 0.667464 0.258119 Ga\n0.621408 0.340224 0.225507 Ga\n0.625913 0.665870 0.260511 Ga\n0.977230 0.004873 0.998342 Te\n0.010310 0.321406 0.037930 Te\n0.510309 0.011927 0.002149 Te\n0.015140 0.633789 0.028467 Te\n0.477231 0.328460 0.012961 Te\n0.515139 0.699545 0.929833 Te\n",
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{
"id": "jvasp-39527",
"created_at": "2022-09-04T14:37:37.267588Z",
"updated_at": "2022-09-04T14:37:37.267611Z",
"structure_string": "Ge12 N8\n1.0\n7.097918 0.000000 0.000000\n0.000000 7.097918 0.000000\n-0.000000 -0.000000 7.097918\nGe N\n12 8\ndirect\n0.823699 0.823699 0.500000 Ge\n0.176301 0.500000 0.176301 Ge\n0.823699 0.500000 0.823699 Ge\n0.823699 0.500000 0.176301 Ge\n0.500000 0.823699 0.823699 Ge\n0.500000 0.176301 0.176301 Ge\n0.176301 0.500000 0.823699 Ge\n0.500000 0.823699 0.176301 Ge\n0.823699 0.176301 0.500000 Ge\n0.176301 0.823699 0.500000 Ge\n0.176301 0.176301 0.500000 Ge\n0.500000 0.176301 0.823699 Ge\n0.722581 0.277419 0.277419 N\n0.722583 0.722583 0.277417 N\n0.277417 0.277417 0.277417 N\n0.277417 0.722583 0.722583 N\n0.722583 0.277417 0.722583 N\n0.277419 0.277419 0.722581 N\n0.722581 0.722581 0.722581 N\n0.277419 0.722581 0.277419 N\n",
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{
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"created_at": "2022-09-04T14:37:30.261040Z",
"updated_at": "2022-09-04T14:37:30.261049Z",
"structure_string": "B6 Ru4\n1.0\n1.462516 -2.533152 -0.000000\n1.462516 2.533152 0.000000\n0.000000 0.000000 12.852480\nB Ru\n6 4\ndirect\n0.666668 0.333335 0.250000 B\n0.333335 0.666668 0.750000 B\n0.333335 0.666668 0.530188 B\n0.666668 0.333335 0.030188 B\n0.333335 0.666668 0.969812 B\n0.666668 0.333335 0.469812 B\n0.333335 0.666668 0.359946 Ru\n0.666668 0.333335 0.859946 Ru\n0.666668 0.333335 0.640054 Ru\n0.333335 0.666668 0.140054 Ru\n",
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{
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"created_at": "2022-09-04T14:37:14.127595Z",
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"structure_string": "Ga4 O6\n1.0\n4.450472 -0.012273 3.025593\n1.595214 4.154773 3.025593\n-0.017913 -0.012273 5.381504\nGa O\n4 6\ndirect\n0.856055 0.856057 0.856055 Ga\n0.643943 0.643944 0.643943 Ga\n0.143944 0.143944 0.143944 Ga\n0.356056 0.356056 0.356056 Ga\n0.749999 0.447134 0.052866 O\n0.447133 0.052867 0.749999 O\n0.052866 0.750000 0.447133 O\n0.250000 0.552867 0.947132 O\n0.947133 0.250001 0.552865 O\n0.552866 0.947133 0.250000 O\n",
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{
"id": "jvasp-36468",
"created_at": "2022-09-04T14:37:29.943616Z",
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"structure_string": "Ba3 P2\n1.0\n6.011464 -0.000000 0.000000\n-0.000000 6.011464 0.000000\n-0.000000 -0.000000 6.011464\nBa P\n3 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.500000 P\n",
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}