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{
"id": "jvasp-74766",
"created_at": "2022-09-04T14:36:08.113337Z",
"updated_at": "2022-09-04T14:36:08.113356Z",
"structure_string": "Be2 P1 Os1\n1.0\n3.034352 -0.000000 0.000000\n-0.000000 3.034352 0.000000\n0.000000 0.000000 4.704899\nBe P Os\n2 1 1\ndirect\n0.000000 0.000000 0.750471 Be\n0.000000 0.000000 0.249530 Be\n0.500000 0.500000 0.500000 P\n0.500000 0.500000 0.000000 Os\n",
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{
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"structure_string": "Sr4 Al8 Si4 N8 O12\n1.0\n4.963386 0.000000 0.000000\n0.000000 8.126617 0.000000\n0.000000 0.000000 11.388207\nSr Al Si N O\n4 8 4 8 12\ndirect\n0.516029 0.043478 0.164768 Sr\n0.016029 0.456522 0.835232 Sr\n0.983972 0.956522 0.664768 Sr\n0.483972 0.543478 0.335232 Sr\n0.016113 0.028611 0.957462 Al\n0.516114 0.471389 0.042538 Al\n0.005676 0.337253 0.162409 Al\n0.483887 0.971390 0.457462 Al\n0.983888 0.528611 0.542538 Al\n0.994325 0.837253 0.337591 Al\n0.494325 0.662747 0.662409 Al\n0.505676 0.162747 0.837591 Al\n0.998389 0.702326 0.074558 Si\n0.501612 0.297675 0.574558 Si\n0.498388 0.797674 0.925442 Si\n0.001612 0.202326 0.425442 Si\n0.171260 0.520080 0.096325 N\n0.671261 0.979920 0.903675 N\n0.787063 0.344404 0.491051 N\n0.828741 0.020080 0.403675 N\n0.212938 0.844404 0.008949 N\n0.328740 0.479920 0.596325 N\n0.287063 0.155596 0.508950 N\n0.712938 0.655596 0.991051 N\n0.452096 0.846639 0.583719 O\n0.652755 0.368593 0.168386 O\n0.152755 0.131407 0.831614 O\n0.347246 0.868593 0.331614 O\n0.131906 0.292210 0.305103 O\n0.868095 0.792210 0.194897 O\n0.047904 0.153361 0.083719 O\n0.547904 0.346639 0.916281 O\n0.368095 0.707791 0.805103 O\n0.952097 0.653362 0.416282 O\n0.847246 0.631407 0.668386 O\n0.631906 0.207790 0.694897 O\n",
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"formula_full": "Sr4 Al8 Si4 N8 O12",
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{
"id": "jvasp-69221",
"created_at": "2022-09-04T14:36:08.113169Z",
"updated_at": "2022-09-04T14:36:08.113209Z",
"structure_string": "Ba1 Hf1 Zr4\n1.0\n0.000000 4.267117 4.267117\n4.267117 -0.000000 4.267117\n4.267117 4.267117 -0.000000\nBa Hf Zr\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Hf\n0.115612 0.628129 0.628129 Zr\n0.628129 0.628129 0.628129 Zr\n0.628129 0.115612 0.628129 Zr\n0.628129 0.628129 0.115612 Zr\n",
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"formula_full": "Ba1 Hf1 Zr4",
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{
"id": "jvasp-70027",
"created_at": "2022-09-04T14:36:08.110828Z",
"updated_at": "2022-09-04T14:36:08.110862Z",
"structure_string": "Be1 Fe2 Si2\n1.0\n-1.669869 1.669869 5.501690\n1.669869 -1.669869 5.501690\n1.669869 1.669869 -5.501690\nBe Fe Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.604669 0.604669 0.000000 Fe\n0.395331 0.395331 0.000000 Fe\n0.750000 0.250000 0.500000 Si\n0.250000 0.750000 0.500000 Si\n",
"nsites": 5,
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"formula_full": "Be1 Fe2 Si2",
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{
"id": "jvasp-70413",
"created_at": "2022-09-04T14:36:08.107242Z",
"updated_at": "2022-09-04T14:36:08.107262Z",
"structure_string": "Be2 Te1 Os1\n1.0\n-1.915298 1.915298 3.831116\n1.915298 -1.915298 3.831116\n1.915298 1.915298 -3.831116\nBe Te Os\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500000 Be\n0.750001 0.250000 0.500000 Te\n0.500001 0.500001 0.000000 Os\n",
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{
"id": "jvasp-86280",
"created_at": "2022-09-04T14:36:08.106091Z",
"updated_at": "2022-09-04T14:36:08.106125Z",
"structure_string": "Pr4 Al4 Pt4\n1.0\n4.506657 0.000000 0.000000\n0.000000 7.247378 0.000000\n0.000000 0.000000 7.894404\nPr Al Pt\n4 4 4\ndirect\n0.250000 0.527904 0.182055 Pr\n0.250000 0.027904 0.317944 Pr\n0.750001 0.972096 0.682055 Pr\n0.750001 0.472096 0.817944 Pr\n0.250000 0.147287 0.931373 Al\n0.750001 0.352713 0.431373 Al\n0.250000 0.647287 0.568627 Al\n0.750001 0.852713 0.068627 Al\n0.250000 0.786526 0.890998 Pt\n0.250000 0.286526 0.609002 Pt\n0.750001 0.713475 0.390998 Pt\n0.750001 0.213474 0.109002 Pt\n",
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"volume": 257.84265622696665,
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"formula_full": "Pr4 Al4 Pt4",
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{
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"created_at": "2022-09-04T14:36:08.101257Z",
"updated_at": "2022-09-04T14:36:08.101282Z",
"structure_string": "S18\n1.0\n11.645385 -0.000014 -0.000000\n-5.822680 10.085206 0.000000\n-0.000000 -0.000000 3.603200\nS\n18\ndirect\n0.222090 0.656059 0.761317 S\n0.764226 0.608867 0.141963 S\n0.681053 0.806857 0.577464 S\n0.867279 0.393153 -0.178526 S\n0.439959 0.362398 0.139652 S\n0.525873 0.132721 -0.178526 S\n0.193144 0.874197 0.577464 S\n0.922440 0.560042 0.139652 S\n0.606848 0.474128 -0.178526 S\n0.433970 0.777911 0.761317 S\n0.637603 0.077561 0.139652 S\n0.343942 0.566031 0.761317 S\n0.125804 0.318948 0.577464 S\n0.834992 0.980573 0.572132 S\n0.019428 0.854419 0.572132 S\n0.145582 0.165009 0.572132 S\n0.391133 0.155357 0.141963 S\n0.844643 0.235775 0.141963 S\n",
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"elements": [
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{
"id": "jvasp-71147",
"created_at": "2022-09-04T14:36:08.095468Z",
"updated_at": "2022-09-04T14:36:08.095478Z",
"structure_string": "Y1 Be2 Pt1\n1.0\n3.923995 -0.000000 0.000000\n-0.000000 3.923995 -0.000000\n0.000000 0.000000 4.194212\nY Be Pt\n1 2 1\ndirect\n0.000000 0.000000 0.500000 Y\n0.500001 0.000000 0.000000 Be\n0.000000 0.500001 0.000000 Be\n0.500001 0.500001 0.500000 Pt\n",
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{
"id": "jvasp-97396",
"created_at": "2022-09-04T14:36:08.095286Z",
"updated_at": "2022-09-04T14:36:08.095316Z",
"structure_string": "Ba4 Ga8 Ge8 O32\n1.0\n9.023264 0.028547 0.000000\n-0.027892 9.063398 0.000000\n0.000000 0.000000 9.888750\nBa Ga Ge O\n4 8 8 32\ndirect\n0.250000 0.872763 0.395223 Ba\n0.749999 0.627238 0.895223 Ba\n0.749999 0.127237 0.604777 Ba\n0.250000 0.372763 0.104777 Ba\n0.571186 0.743076 0.578073 Ga\n0.428813 0.756925 0.078073 Ga\n0.571186 0.243076 0.921927 Ga\n0.928813 0.743072 0.578078 Ga\n0.071187 0.756929 0.078078 Ga\n0.071187 0.256929 0.421922 Ga\n0.928813 0.243072 0.921922 Ga\n0.428813 0.256924 0.421927 Ga\n0.426119 0.937235 0.799563 Ge\n0.426119 0.437235 0.700437 Ge\n0.573881 0.062766 0.200437 Ge\n0.926130 0.562786 0.299564 Ge\n0.073870 0.937215 0.799564 Ge\n0.073870 0.437215 0.700436 Ge\n0.926130 0.062785 0.200436 Ge\n0.573881 0.562766 0.299563 Ge\n0.933088 0.568521 0.675120 O\n0.933087 0.068521 0.824880 O\n0.066912 0.431480 0.324880 O\n0.433109 0.931473 0.175119 O\n0.566891 0.568528 0.675119 O\n0.566890 0.068528 0.824881 O\n0.249983 0.011696 0.848284 O\n0.750017 -0.011696 0.151716 O\n0.249983 0.511696 0.651716 O\n0.750017 0.488304 0.348284 O\n0.749994 0.327004 0.875193 O\n0.250006 0.172996 0.375193 O\n0.066912 0.931480 0.175120 O\n0.433109 0.431473 0.324881 O\n0.571893 0.616026 0.127080 O\n0.474613 0.279720 0.603032 O\n0.428106 0.383975 0.872920 O\n0.571893 0.116026 0.372920 O\n0.928107 0.616057 0.127087 O\n0.071892 0.883944 0.627087 O\n0.071892 0.383944 0.872913 O\n0.928107 0.116057 0.372913 O\n0.525386 0.720280 0.396968 O\n0.474613 0.779720 0.896968 O\n0.250006 0.672997 0.124807 O\n0.525386 0.220280 0.103032 O\n-0.025390 0.720288 0.396974 O\n0.025390 0.779712 0.896974 O\n0.025390 0.279712 0.603026 O\n-0.025390 0.220288 0.103026 O\n0.428107 0.883975 0.627080 O\n0.749994 0.827004 0.624807 O\n",
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{
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"structure_string": "Ba4 Sb1 Rh1\n1.0\n0.000000 4.810172 4.810172\n4.810172 0.000000 4.810172\n4.810172 4.810172 0.000000\nBa Sb Rh\n4 1 1\ndirect\n0.125146 0.624951 0.624951 Ba\n0.624951 0.624951 0.624951 Ba\n0.624951 0.125146 0.624951 Ba\n0.624951 0.624951 0.125146 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Rh\n",
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{
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"created_at": "2022-09-04T14:36:08.088372Z",
"updated_at": "2022-09-04T14:36:08.088414Z",
"structure_string": "Hf2 Be1 Si2\n1.0\n-1.692521 1.692521 7.523157\n1.692521 -1.692521 7.523157\n1.692521 1.692521 -7.523157\nHf Be Si\n2 1 2\ndirect\n0.603088 0.603088 0.000000 Hf\n0.396913 0.396913 0.000000 Hf\n0.000000 0.000000 0.000000 Be\n0.750000 0.250000 0.500000 Si\n0.250000 0.750000 0.500000 Si\n",
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{
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"updated_at": "2022-09-04T14:36:08.088095Z",
"structure_string": "Ba4 Te1 Cl1\n1.0\n-0.000000 5.003536 5.003536\n5.003536 0.000000 5.003536\n5.003536 5.003536 0.000000\nBa Te Cl\n4 1 1\ndirect\n0.122501 0.625833 0.625833 Ba\n0.625833 0.625833 0.625833 Ba\n0.625833 0.122501 0.625833 Ba\n0.625833 0.625833 0.122501 Ba\n0.000000 0.000000 0.000000 Te\n0.250000 0.250000 0.250000 Cl\n",
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]
}