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{
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"results": [
{
"id": "jvasp-18401",
"created_at": "2022-09-04T14:35:40.851354Z",
"updated_at": "2022-09-04T14:35:40.851379Z",
"structure_string": "Mn2 H2\n1.0\n1.301862 -2.254892 -0.000000\n1.301862 2.254892 -0.000000\n0.000000 0.000000 5.078336\nMn H\n2 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.666666 0.333332 0.250000 H\n0.333332 0.666666 0.750001 H\n",
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{
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"structure_string": "Mn2 H2\n1.0\n1.301863 -2.254894 0.000000\n1.301863 2.254894 0.000000\n0.000000 0.000000 5.078339\nMn H\n2 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.666666 0.333332 0.250000 H\n0.333332 0.666666 0.750000 H\n",
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{
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{
"id": "jvasp-119622",
"created_at": "2022-09-04T14:38:51.622308Z",
"updated_at": "2022-09-04T14:38:51.622326Z",
"structure_string": "Mg7 V1 H16\n1.0\n5.663869 -0.000000 3.270036\n1.887956 5.339947 3.270036\n-0.000000 -0.000000 6.540072\nMg V H\n7 1 16\ndirect\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 V\n0.372087 0.883739 0.372087 H\n0.372087 0.372087 0.883739 H\n0.627914 0.627914 0.627913 H\n0.116262 0.627914 0.627913 H\n0.627913 0.116261 0.627913 H\n0.627914 0.627914 0.116261 H\n0.116955 0.116955 0.116955 H\n0.883045 0.883045 0.883045 H\n0.116955 0.649135 0.116955 H\n0.116955 0.116955 0.649134 H\n0.883739 0.372087 0.372087 H\n0.350866 0.883045 0.883045 H\n0.883045 0.350866 0.883045 H\n0.883045 0.883045 0.350866 H\n0.649135 0.116955 0.116955 H\n0.372087 0.372087 0.372087 H\n",
"nsites": 24,
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"volume": 197.80290982086703,
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"formula_full": "Mg7 V1 H16",
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{
"id": "jvasp-117148",
"created_at": "2022-09-04T14:38:48.420679Z",
"updated_at": "2022-09-04T14:38:48.420705Z",
"structure_string": "Mg6 V1 H16\n1.0\n5.721330 -0.000000 3.303211\n1.907110 5.394121 3.303211\n-0.000000 -0.000000 6.606422\nMg V H\n6 1 16\ndirect\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.000000 0.500000 -0.000000 Mg\n0.500000 0.000000 -0.000000 Mg\n0.000000 0.000000 0.000000 V\n0.357337 0.927992 0.357336 H\n0.357336 0.357336 0.927991 H\n0.642664 0.642663 0.642663 H\n0.072008 0.642663 0.642663 H\n0.642664 0.072008 0.642663 H\n0.642664 0.642663 0.072008 H\n0.110237 0.110237 0.110237 H\n0.110237 0.110237 0.669290 H\n0.110237 0.669290 0.110237 H\n0.927992 0.357336 0.357336 H\n0.889763 0.889763 0.889762 H\n0.330710 0.889763 0.889763 H\n0.889763 0.330710 0.889763 H\n0.889763 0.889763 0.330709 H\n0.669290 0.110237 0.110237 H\n0.357336 0.357336 0.357336 H\n",
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"elements": [
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{
"id": "jvasp-93823",
"created_at": "2022-09-04T14:36:03.094311Z",
"updated_at": "2022-09-04T14:36:03.094332Z",
"structure_string": "Mg1 Ti1 H4\n1.0\n-2.241186 -2.241186 -0.000000\n-2.241186 2.241186 0.000000\n-0.000000 -0.000000 -4.653823\nMg Ti H\n1 1 4\ndirect\n0.500001 0.500001 0.500000 Mg\n0.000000 0.000000 0.000000 Ti\n0.500001 0.000000 0.237115 H\n0.000000 0.500001 0.237115 H\n0.500001 0.000000 0.762885 H\n0.000000 0.500001 0.762885 H\n",
"nsites": 6,
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"formula_full": "Mg1 Ti1 H4",
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},
{
"id": "jvasp-98414",
"created_at": "2022-09-04T14:35:53.155231Z",
"updated_at": "2022-09-04T14:35:53.155250Z",
"structure_string": "Mg7 Ti1 H16\n1.0\n4.674642 4.674642 0.000118\n0.000098 4.674662 4.674662\n4.674650 0.000111 4.674650\nMg Ti H\n7 1 16\ndirect\n0.500004 0.500000 0.499998 Mg\n0.500001 -0.000001 -0.000003 Mg\n0.499999 0.500001 0.000000 Mg\n0.499996 0.000000 0.500006 Mg\n0.000002 0.499999 0.499997 Mg\n-0.000004 0.000004 0.500000 Mg\n-0.000001 0.499999 0.000004 Mg\n0.000009 -0.000007 -0.000003 Ti\n0.373200 0.373202 0.880397 H\n0.880397 0.373201 0.373200 H\n0.626799 0.626796 0.626797 H\n0.626797 0.119605 0.626800 H\n0.626799 0.626800 0.119602 H\n0.119603 0.626798 0.626799 H\n0.120682 0.120679 0.120681 H\n0.879321 0.879318 0.879319 H\n0.120680 0.120685 0.637951 H\n0.637947 0.120682 0.120684 H\n0.373200 0.880396 0.373203 H\n0.879317 0.362049 0.879319 H\n0.879313 0.879318 0.362051 H\n0.362049 0.879316 0.879317 H\n0.120682 0.637952 0.120684 H\n0.373205 0.373202 0.373202 H\n",
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{
"id": "jvasp-118958",
"created_at": "2022-09-04T14:38:30.991368Z",
"updated_at": "2022-09-04T14:38:30.991389Z",
"structure_string": "Mg3 Ti1 H8\n1.0\n4.612997 -0.000000 0.000000\n0.000000 4.612997 0.000000\n-0.000000 -0.000000 4.612997\nMg Ti H\n3 1 8\ndirect\n0.500000 0.500000 -0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n-0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ti\n0.244118 0.244118 0.755883 H\n0.244118 0.755883 0.244118 H\n0.755883 0.244118 0.244118 H\n0.755883 0.755883 0.755883 H\n0.755883 0.755883 0.244118 H\n0.755883 0.244118 0.755883 H\n0.244118 0.755883 0.755883 H\n0.244118 0.244118 0.244118 H\n",
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{
"id": "jvasp-41189",
"created_at": "2022-09-04T14:37:39.467933Z",
"updated_at": "2022-09-04T14:37:39.467956Z",
"structure_string": "Mg6 Tc2 H14\n1.0\n2.413178 -4.179747 0.000000\n2.413178 4.179747 -0.000000\n0.000000 0.000000 10.490303\nMg Tc H\n6 2 14\ndirect\n0.666668 0.333333 0.931741 Mg\n0.000000 0.000000 0.750000 Mg\n0.666668 0.333333 0.568259 Mg\n0.333333 0.666668 0.431741 Mg\n0.000000 0.000000 0.250000 Mg\n0.333333 0.666668 0.068259 Mg\n0.000000 0.000000 0.000000 Tc\n0.000000 0.000000 0.500000 Tc\n0.830841 0.661682 0.099483 H\n0.333333 0.666668 0.250000 H\n0.830841 0.661682 0.400517 H\n0.830841 0.169160 0.400517 H\n0.338319 0.169160 0.400517 H\n0.661682 0.830841 0.599483 H\n0.169160 0.338319 0.900517 H\n0.169160 0.338319 0.599483 H\n0.666668 0.333333 0.750000 H\n0.338319 0.169160 0.099483 H\n0.661682 0.830841 0.900517 H\n0.169160 0.830841 0.900517 H\n0.169160 0.830841 0.599483 H\n0.830841 0.169160 0.099483 H\n",
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{
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"structure_string": "Sr4 Mg6 H20\n1.0\n8.187235 2.846419 -3.189686\n-8.187235 2.846419 3.189686\n-0.002008 0.000000 7.424436\nSr Mg H\n4 6 20\ndirect\n0.719947 0.280053 0.315103 Sr\n0.280053 0.719947 0.684897 Sr\n0.615817 0.384183 0.720745 Sr\n0.384183 0.615817 0.279256 Sr\n0.257495 0.257495 -0.000000 Mg\n0.175158 0.824842 0.020568 Mg\n0.742506 0.742506 0.000000 Mg\n0.075217 0.924784 0.448279 Mg\n0.924784 0.075217 0.551722 Mg\n0.824842 0.175158 0.979433 Mg\n0.864724 0.135276 0.256820 H\n0.768408 0.768408 0.500000 H\n0.231592 0.231592 0.500000 H\n0.515228 0.484773 0.189626 H\n0.484772 0.515228 0.810374 H\n0.238213 0.761788 0.289431 H\n0.761787 0.238213 0.710570 H\n0.135276 0.864724 0.743180 H\n0.020582 0.979418 0.178051 H\n0.091171 0.397630 0.518379 H\n0.397630 0.091172 0.481621 H\n0.908829 0.602370 0.481621 H\n0.602370 0.908829 0.518379 H\n0.000000 0.500000 0.000000 H\n0.384723 0.157476 0.029282 H\n0.842524 0.615277 0.029282 H\n0.615277 0.842525 0.970718 H\n0.157476 0.384723 0.970718 H\n0.979418 0.020583 0.821949 H\n0.500000 0.000000 -0.000000 H\n",
"nsites": 30,
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},
{
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"structure_string": "Sr2 Mg1 H6\n1.0\n5.474434 -0.000009 -0.000007\n-2.737225 4.740995 0.000004\n-0.000007 -0.000000 4.189851\nSr Mg H\n2 1 6\ndirect\n0.666664 0.333332 0.263827 Sr\n0.333333 0.666666 0.736171 Sr\n0.000000 0.000000 0.000000 Mg\n0.823226 0.646457 0.763586 H\n0.823225 0.176768 0.763586 H\n0.353539 0.176770 0.763584 H\n0.176771 0.353541 0.236412 H\n0.176772 0.823231 0.236412 H\n0.646458 0.823229 0.236414 H\n",
"nsites": 9,
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],
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"volume": 108.74439668678221,
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"formula_anonymous": "AB2C6",
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"spacegroup": 164
},
{
"id": "jvasp-51714",
"created_at": "2022-09-04T14:38:11.329830Z",
"updated_at": "2022-09-04T14:38:11.329859Z",
"structure_string": "Sr2 Mg2 H8\n1.0\n1.978888 6.755274 0.000000\n-1.978888 6.755274 0.000000\n0.000000 0.000000 5.572105\nSr Mg H\n2 2 8\ndirect\n0.848764 0.848764 0.753276 Sr\n0.151235 0.151235 0.253275 Sr\n0.585079 0.585079 0.709302 Mg\n0.414921 0.414921 0.209302 Mg\n0.666685 0.666685 0.985442 H\n0.333315 0.333315 0.485442 H\n0.700739 0.700739 0.506163 H\n0.299261 0.299261 0.006162 H\n0.924846 0.924846 0.179975 H\n0.075154 0.075154 0.679976 H\n0.461628 0.461628 0.866845 H\n0.538371 0.538371 0.366845 H\n",
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"formula_anonymous": "ABC4",
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"spacegroup": 36
}
]
}