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{
"id": "jvasp-41380",
"created_at": "2022-09-04T14:37:45.751313Z",
"updated_at": "2022-09-04T14:37:45.751324Z",
"structure_string": "Mg1 Be2 As2\n1.0\n1.896206 -3.284325 -0.000000\n1.896206 3.284325 0.000000\n0.000000 0.000000 6.447354\nMg Be As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666668 0.333334 0.374959 Be\n0.333334 0.666668 0.625040 Be\n0.333334 0.666668 0.263735 As\n0.666668 0.333334 0.736265 As\n",
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{
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"structure_string": "Ba4 Sr1 Mn1\n1.0\n0.000000 5.248237 5.248237\n5.248237 -0.000000 5.248237\n5.248237 5.248237 -0.000000\nBa Sr Mn\n4 1 1\ndirect\n0.130537 0.623155 0.623155 Ba\n0.623155 0.623155 0.623155 Ba\n0.623155 0.130537 0.623155 Ba\n0.623155 0.623155 0.130537 Ba\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Mn\n",
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{
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"structure_string": "Mg2 Ti4 O8\n1.0\n6.034183 -0.025948 -0.089856\n2.994620 5.238729 -0.089856\n2.936233 1.695236 4.794849\nMg Ti O\n2 4 8\ndirect\n0.124999 0.625001 0.625000 Mg\n0.624999 0.125000 0.625000 Mg\n0.997085 0.997085 0.002914 Ti\n0.252915 0.252915 0.247085 Ti\n0.625000 0.625000 0.124999 Ti\n0.624999 0.625001 0.624999 Ti\n0.385682 0.385683 0.373068 O\n0.373350 0.867070 0.379790 O\n0.385681 0.385683 0.855568 O\n0.867069 0.373351 0.379790 O\n0.382930 0.876650 0.870209 O\n0.876649 0.382932 0.870209 O\n0.864317 0.864318 0.394431 O\n0.864317 0.864319 0.876930 O\n",
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{
"id": "jvasp-14267",
"created_at": "2022-09-04T14:36:31.903196Z",
"updated_at": "2022-09-04T14:36:31.903217Z",
"structure_string": "Na1 Mn1 Se2\n1.0\n1.995450 -3.456220 -0.000000\n1.995450 3.456220 0.000000\n0.000000 0.000000 7.144509\nNa Mn Se\n1 1 2\ndirect\n0.666667 0.333333 0.229560 Na\n0.000000 0.000000 0.665275 Mn\n0.000000 0.000000 0.984792 Se\n0.333333 0.666667 0.519473 Se\n",
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{
"id": "jvasp-15940",
"created_at": "2022-09-04T14:37:04.860590Z",
"updated_at": "2022-09-04T14:37:04.860617Z",
"structure_string": "Na1 Mn1 Se2\n1.0\n1.995450 -3.456220 -0.000000\n1.995450 3.456220 0.000000\n0.000000 0.000000 7.144509\nNa Mn Se\n1 1 2\ndirect\n0.666667 0.333333 0.229560 Na\n0.000000 0.000000 0.665275 Mn\n0.000000 0.000000 0.984792 Se\n0.333333 0.666667 0.519473 Se\n",
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{
"id": "jvasp-91742",
"created_at": "2022-09-04T14:36:14.073188Z",
"updated_at": "2022-09-04T14:36:14.073208Z",
"structure_string": "Ba1 Mg4 Ge3\n1.0\n4.642175 0.000000 -0.000000\n-0.000000 4.642175 -0.000000\n0.000000 -0.000000 8.772967\nBa Mg Ge\n1 4 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500001 0.000000 0.680215 Mg\n0.000000 0.500001 0.680215 Mg\n0.500001 0.000000 0.319785 Mg\n0.000000 0.500001 0.319785 Mg\n0.000000 0.000000 0.500000 Ge\n0.500001 0.500001 0.850717 Ge\n0.500001 0.500001 0.149283 Ge\n",
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{
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"created_at": "2022-09-04T14:38:54.825997Z",
"updated_at": "2022-09-04T14:38:54.826024Z",
"structure_string": "Li4 Ti2 V4 O12\n1.0\n5.716267 0.008733 -1.306951\n-0.291727 5.774299 -1.423220\n0.015629 -0.046038 6.580616\nLi Ti V O\n4 2 4 12\ndirect\n0.335082 0.849777 0.344399 Li\n0.835089 0.849778 0.344392 Li\n0.498246 0.483556 0.988936 Li\n0.998240 0.483553 0.988943 Li\n0.666669 0.666687 0.666675 Ti\n0.166660 0.666646 0.666663 Ti\n0.489486 0.010542 0.993183 V\n0.343843 0.322787 0.340154 V\n0.989538 0.010544 0.993192 V\n0.843792 0.322787 0.340147 V\n0.083547 0.088593 0.315810 O\n0.583535 0.088553 0.315812 O\n0.917361 0.890113 0.670945 O\n0.417342 0.890113 0.670948 O\n0.915969 0.443220 0.662391 O\n0.741957 0.767115 0.988142 O\n0.091371 0.566219 0.345194 O\n0.591371 0.566249 0.345189 O\n0.241957 0.767084 0.988146 O\n0.249794 0.244781 0.017523 O\n0.415987 0.443220 0.662388 O\n0.749781 0.244741 0.017525 O\n",
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"volume": 216.9516769074925,
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"formula_full": "Li4 Ti2 V4 O12",
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"spacegroup": 2
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{
"id": "jvasp-76260",
"created_at": "2022-09-04T14:36:43.840639Z",
"updated_at": "2022-09-04T14:36:43.840671Z",
"structure_string": "K4 Rb2 Pt2\n1.0\n-0.000000 -0.000000 5.354206\n7.482535 0.000000 0.000000\n0.000000 7.482535 0.000000\nK Rb Pt\n4 2 2\ndirect\n0.500000 0.677672 0.177673 K\n0.500000 0.322327 0.822327 K\n0.500000 0.822327 0.677672 K\n0.500000 0.177673 0.322327 K\n0.000000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Pt\n0.000000 0.500000 0.000000 Pt\n",
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{
"id": "jvasp-34679",
"created_at": "2022-09-04T14:38:09.409476Z",
"updated_at": "2022-09-04T14:38:09.409490Z",
"structure_string": "Ti2 As4 O14\n1.0\n5.238269 0.003016 -0.854790\n-0.895492 5.161160 -0.854790\n-0.013266 -0.015774 9.576426\nTi As O\n2 4 14\ndirect\n0.000000 0.000000 0.000000 Ti\n-0.000000 0.000000 0.500000 Ti\n0.563045 0.825815 0.197420 As\n0.825814 0.563046 0.697421 As\n0.174186 0.436956 0.302580 As\n0.436955 0.174187 0.802580 As\n0.712143 0.035471 0.352797 O\n0.715672 0.077572 0.869573 O\n0.964530 0.287858 0.147204 O\n0.749584 0.761659 0.072834 O\n0.761658 0.749585 0.572834 O\n0.238342 0.250417 0.427166 O\n0.287857 0.964531 0.647204 O\n0.476900 0.523101 0.250000 O\n0.077570 0.715673 0.369573 O\n0.035470 0.712143 0.852797 O\n0.250416 0.238343 0.927166 O\n0.284328 0.922430 0.130427 O\n0.922430 0.284329 0.630428 O\n0.523100 0.476901 0.750000 O\n",
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{
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"created_at": "2022-09-04T14:38:53.151180Z",
"updated_at": "2022-09-04T14:38:53.151206Z",
"structure_string": "Sc2 O2 F2\n1.0\n3.606869 0.000000 -0.000000\n0.000000 3.606869 0.000000\n0.000000 0.000000 5.135214\nSc O F\n2 2 2\ndirect\n0.000000 0.499999 0.707878 Sc\n0.499999 0.000000 0.292120 Sc\n0.499999 0.499999 0.499999 O\n0.000000 0.000000 0.499999 O\n0.000000 0.000000 0.000000 F\n0.499999 0.499999 0.000000 F\n",
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{
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"created_at": "2022-09-04T14:38:32.014013Z",
"updated_at": "2022-09-04T14:38:32.014048Z",
"structure_string": "Na4 Mn4 As4 O16\n1.0\n5.215440 -0.000000 0.000000\n-0.000000 6.405857 0.000000\n0.000000 0.000000 10.846305\nNa Mn As O\n4 4 4 16\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.491497 0.250000 0.780847 Mn\n0.991497 0.750000 0.719153 Mn\n0.008503 0.250000 0.280847 Mn\n0.508503 0.750000 0.219153 Mn\n0.555988 0.250000 0.103867 As\n0.055988 0.750000 0.396133 As\n0.444012 0.750000 0.896133 As\n0.944012 0.250000 0.603866 As\n0.328975 0.750000 0.045888 O\n0.828975 0.250000 0.454111 O\n0.271647 0.250000 0.610557 O\n0.771647 0.750000 0.889442 O\n0.728353 0.750000 0.389442 O\n0.228353 0.250000 0.110557 O\n0.794756 0.458838 0.677409 O\n0.794756 0.041163 0.677409 O\n0.205244 0.958838 0.322591 O\n0.705244 0.041163 0.177409 O\n0.205244 0.541163 0.322591 O\n0.705244 0.458838 0.177409 O\n0.671025 0.250000 0.954111 O\n0.294756 0.958838 0.822591 O\n0.294756 0.541163 0.822591 O\n0.171025 0.750000 0.545888 O\n",
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{
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"created_at": "2022-09-04T14:35:44.994128Z",
"updated_at": "2022-09-04T14:35:44.994154Z",
"structure_string": "Be1 Se1 Br4\n1.0\n-0.000000 4.399210 4.399210\n4.399210 0.000000 4.399210\n4.399210 4.399210 -0.000000\nBe Se Br\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Se\n0.124304 0.625232 0.625232 Br\n0.625232 0.625232 0.625232 Br\n0.625232 0.124304 0.625232 Br\n0.625232 0.625232 0.124304 Br\n",
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}