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"id": "jvasp-114371",
"created_at": "2022-09-04T14:38:41.632781Z",
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"structure_string": "Pd1 Se1 O4\n1.0\n4.680006 0.000000 -0.152522\n0.000000 3.127583 0.000000\n-1.999063 0.000000 5.113195\nPd Se O\n1 1 4\ndirect\n0.500001 0.500000 0.000000 Pd\n0.500001 0.000000 0.500000 Se\n0.727826 0.000000 0.235590 O\n0.730186 0.500000 0.751006 O\n0.272177 0.000000 0.764410 O\n0.269817 0.500000 0.248994 O\n",
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{
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{
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"structure_string": "Be2 Os1 Se1\n1.0\n2.846439 -2.845721 0.000000\n2.846439 2.845721 0.000000\n0.000000 0.000000 3.040613\nBe Os Se\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.500000 0.000000 0.499999 Os\n0.000000 0.500000 0.499999 Se\n",
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},
{
"id": "jvasp-25786",
"created_at": "2022-09-04T14:38:16.844349Z",
"updated_at": "2022-09-04T14:38:16.844373Z",
"structure_string": "Na4 Sr4 B4 O12\n1.0\n0.000000 5.349423 0.025808\n9.292278 0.000000 0.000000\n0.000000 -1.110934 -5.951061\nNa Sr B O\n4 4 4 12\ndirect\n0.742585 0.758507 0.963884 Na\n0.257415 0.258507 0.536116 Na\n0.257415 0.241493 0.036116 Na\n0.742585 0.741494 0.463884 Na\n0.245881 0.585737 0.216406 Sr\n0.754118 0.085737 0.283594 Sr\n0.754119 0.414263 0.783594 Sr\n0.245882 0.914263 0.716406 Sr\n0.247169 0.580723 0.737991 B\n0.247168 0.919278 0.237991 B\n0.752832 0.080723 0.762009 B\n0.752831 0.419278 0.262009 B\n0.960595 0.157811 0.718322 O\n0.272874 0.060622 0.312223 O\n0.960595 0.342189 0.218322 O\n0.727127 0.939379 0.687776 O\n0.428426 0.855063 0.134055 O\n0.571573 0.355062 0.365945 O\n0.428427 0.644938 0.634055 O\n0.571574 0.144938 0.865944 O\n0.272874 0.439379 0.812223 O\n0.039405 0.657811 0.781677 O\n0.039405 0.842189 0.281677 O\n0.727126 0.560622 0.187777 O\n",
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{
"id": "jvasp-46771",
"created_at": "2022-09-04T14:38:02.460946Z",
"updated_at": "2022-09-04T14:38:02.460968Z",
"structure_string": "Li4 Mn8 O4 F12\n1.0\n5.176028 0.000000 0.000000\n-0.000000 6.285551 0.000000\n0.000000 0.000000 10.598281\nLi Mn O F\n4 8 4 12\ndirect\n0.520511 0.750000 0.089317 Li\n0.020511 0.250000 0.410683 Li\n0.979489 0.750000 0.589317 Li\n0.479489 0.250000 0.910683 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.507735 0.250000 0.239091 Mn\n0.007735 0.750000 0.260909 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.992266 0.250000 0.739091 Mn\n0.492265 0.750000 0.760909 Mn\n0.837362 0.250000 0.915743 O\n0.337362 0.750000 0.584256 O\n0.662639 0.250000 0.415743 O\n0.162639 0.750000 0.084257 O\n0.294806 0.250000 0.069888 F\n0.711481 0.523455 0.168243 F\n0.711481 0.976544 0.168243 F\n0.211481 0.023455 0.331757 F\n0.211481 0.476544 0.331757 F\n0.794806 0.750000 0.430112 F\n0.205194 0.250000 0.569888 F\n0.788520 0.976544 0.668243 F\n0.788520 0.523455 0.668243 F\n0.288519 0.476544 0.831757 F\n0.288519 0.023455 0.831757 F\n0.705194 0.750000 0.930112 F\n",
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"formula_full": "Li4 Mn8 O4 F12",
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{
"id": "jvasp-8743",
"created_at": "2022-09-04T14:37:08.728450Z",
"updated_at": "2022-09-04T14:37:08.728460Z",
"structure_string": "Ti1 Al1 Fe2\n1.0\n3.563319 0.000000 2.057284\n1.187773 3.359529 2.057284\n-0.000000 -0.000000 4.114566\nTi Al Fe\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n",
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},
{
"id": "jvasp-103031",
"created_at": "2022-09-04T14:36:33.334897Z",
"updated_at": "2022-09-04T14:36:33.334915Z",
"structure_string": "Zn4 Ni5 Ge1\n1.0\n2.952923 -0.000000 -0.000000\n-0.000000 2.952923 -0.000000\n0.000000 0.000000 14.121701\nZn Ni Ge\n4 5 1\ndirect\n0.000000 0.000000 0.203699 Zn\n0.000000 0.000000 0.401012 Zn\n0.000000 0.000000 0.598988 Zn\n0.000000 0.000000 0.796301 Zn\n0.500000 0.500000 0.097349 Ni\n0.500000 0.500000 0.301785 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.500000 0.698215 Ni\n0.500000 0.500000 0.902651 Ni\n0.000000 0.000000 0.000000 Ge\n",
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{
"id": "jvasp-110100",
"created_at": "2022-09-04T14:38:20.695795Z",
"updated_at": "2022-09-04T14:38:20.695815Z",
"structure_string": "Mn1 Ga2 Ni1\n1.0\n3.563287 -0.000000 2.057265\n1.187762 3.359499 2.057265\n-0.000000 -0.000000 4.114530\nMn Ga Ni\n1 2 1\ndirect\n0.500000 0.500000 0.499999 Mn\n0.250000 0.250000 0.249999 Ga\n0.750000 0.750000 0.749998 Ga\n0.000000 0.000000 0.000000 Ni\n",
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{
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"structure_string": "Ti1 Al1 Co2\n1.0\n2.950138 -0.000000 0.000000\n0.000000 2.950138 0.000000\n0.000000 -0.000000 5.659232\nTi Al Co\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.251024 Co\n0.500000 0.500000 0.748976 Co\n",
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{
"id": "jvasp-44228",
"created_at": "2022-09-04T14:38:08.855719Z",
"updated_at": "2022-09-04T14:38:08.855743Z",
"structure_string": "Zr2 Mn2 O6\n1.0\n5.423345 0.000042 0.000395\n2.711633 4.696771 0.000115\n2.711257 1.565696 4.834287\nZr Mn O\n2 2 6\ndirect\n0.203152 0.203213 0.390412 Zr\n0.703148 0.703220 0.890415 Zr\n0.983997 0.984083 0.047842 Mn\n0.484002 0.484051 0.547868 Mn\n0.417237 0.811434 0.687021 O\n0.811395 0.084292 0.687052 O\n0.917216 0.584310 0.187034 O\n0.084235 0.417253 0.687061 O\n0.311381 0.917288 0.187022 O\n0.584236 0.311460 0.187062 O\n",
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{
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"structure_string": "Zr2 Mn2 O6\n1.0\n4.696726 0.000073 -2.711590\n1.565656 4.834157 -2.711375\n-0.000057 -0.000268 5.423273\nZr Mn O\n2 2 6\ndirect\n0.796788 0.609581 0.203154 Zr\n0.296790 0.109577 0.703150 Zr\n0.515935 0.452160 0.484013 Mn\n0.015915 0.952169 0.984007 Mn\n0.188559 0.312968 0.417214 O\n0.915695 0.312947 0.811395 O\n0.415694 0.812955 0.917204 O\n0.582753 0.312944 0.084244 O\n0.082729 0.812964 0.311384 O\n0.688547 0.812936 0.584240 O\n",
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{
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"structure_string": "In2 Si2 O7\n1.0\n4.709722 0.003431 -0.646984\n-0.946602 5.229805 -1.400908\n0.004690 0.004091 5.496310\nIn Si O\n2 2 7\ndirect\n0.000000 0.307255 0.692745 In\n0.000000 0.692744 0.307255 In\n0.410783 0.220341 0.220342 Si\n0.589217 0.779657 0.779658 Si\n0.780424 0.921051 0.608440 O\n0.219576 0.391560 0.078948 O\n0.219575 0.078948 0.391560 O\n0.780424 0.608439 0.921053 O\n0.500000 -0.000000 0.000000 O\n0.282347 0.609600 0.609600 O\n0.717653 0.390399 0.390400 O\n",
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"formula_full": "In2 Si2 O7",
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}