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{
"id": "jvasp-51403",
"created_at": "2022-09-04T14:37:10.933867Z",
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"structure_string": "Na4 H4 C4 N8\n1.0\n3.450025 0.000000 0.000000\n0.000000 6.408541 0.000000\n0.000000 0.000000 10.478696\nNa H C N\n4 4 4 8\ndirect\n0.766923 0.500000 0.250000 Na\n0.233076 0.000000 0.750000 Na\n0.233076 0.500000 0.750000 Na\n0.766923 0.000000 0.250000 Na\n0.820180 0.250000 0.911148 H\n0.179819 0.750000 0.088852 H\n0.820180 0.750000 0.588852 H\n0.179819 0.250000 0.411148 H\n0.805659 0.250000 0.548270 C\n0.194339 0.750000 0.451730 C\n0.805659 0.750000 0.951730 C\n0.194339 0.250000 0.048270 C\n0.295963 0.250000 0.157715 N\n0.704035 0.750000 0.842286 N\n0.295963 0.750000 0.342285 N\n0.704035 0.250000 0.657715 N\n0.113170 0.250000 0.929550 N\n0.886829 0.750000 0.070450 N\n0.113170 0.750000 0.570451 N\n0.886829 0.250000 0.429550 N\n",
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{
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"updated_at": "2022-09-04T14:37:42.590251Z",
"structure_string": "Li8 S4 O16\n1.0\n0.000000 8.162108 0.023173\n4.973058 0.000000 0.000000\n0.000000 -2.560210 -7.997971\nLi S O\n8 4 16\ndirect\n0.058235 0.921409 0.870341 Li\n0.441765 0.421409 0.129659 Li\n0.941765 0.078591 0.129660 Li\n0.558235 0.578591 0.870341 Li\n0.294008 0.927385 0.618540 Li\n0.205992 0.427385 0.381461 Li\n0.705992 0.072615 0.381461 Li\n0.794008 0.572615 0.618540 Li\n0.318305 0.932570 0.252185 S\n0.681696 0.067430 0.747816 S\n0.818305 0.567430 0.252185 S\n0.181695 0.432570 0.747815 S\n0.166829 0.984591 0.104208 O\n0.333171 0.484591 0.895793 O\n0.028382 0.562800 0.773249 O\n0.833171 0.015409 0.895793 O\n0.471618 0.062800 0.226751 O\n0.971618 0.437200 0.226751 O\n0.150598 0.139743 0.721647 O\n0.782078 0.448202 0.400381 O\n0.849402 0.860257 0.278353 O\n0.650598 0.360257 0.721647 O\n0.349402 0.639743 0.278353 O\n0.282078 0.051798 0.400381 O\n0.666829 0.515410 0.104208 O\n0.217922 0.551799 0.599619 O\n0.528382 0.937201 0.773249 O\n0.717922 0.948202 0.599619 O\n",
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{
"id": "jvasp-11471",
"created_at": "2022-09-04T14:38:07.646821Z",
"updated_at": "2022-09-04T14:38:07.646850Z",
"structure_string": "Mn2 P2 O7\n1.0\n4.525589 -0.007082 -0.617852\n-0.928102 5.179916 -1.361012\n-0.008300 0.009282 5.435541\nMn P O\n2 2 7\ndirect\n0.500000 0.308077 0.691923 Mn\n0.500001 0.691924 0.308077 Mn\n0.908834 0.216992 0.216992 P\n0.091167 0.783009 0.783009 P\n0.275155 0.922683 0.625909 O\n0.724846 0.374092 0.077318 O\n0.724846 0.077318 0.374092 O\n0.275155 0.625909 0.922683 O\n0.000000 0.000000 0.000000 O\n0.790670 0.624962 0.624962 O\n0.209331 0.375039 0.375039 O\n",
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"density_atomic": 0.0863279962464419,
"volume": 127.42100452092188,
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"formula_full": "Mn2 P2 O7",
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{
"id": "jvasp-110040",
"created_at": "2022-09-04T14:38:12.553122Z",
"updated_at": "2022-09-04T14:38:12.553142Z",
"structure_string": "Sr1 Li1 O3\n1.0\n3.869062 -0.000000 0.000000\n0.000000 3.869062 0.000000\n-0.000000 -0.000000 3.869062\nSr Li O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Li\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:36:51.811226Z",
"updated_at": "2022-09-04T14:36:51.811257Z",
"structure_string": "Mn1 O2\n1.0\n5.096671 -0.462368 -0.273852\n4.540790 2.360311 -0.273852\n4.540790 0.894236 2.201455\nMn O\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.600999 0.600999 0.600999 O\n0.399001 0.399001 0.399001 O\n",
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},
{
"id": "jvasp-54755",
"created_at": "2022-09-04T14:38:11.874650Z",
"updated_at": "2022-09-04T14:38:11.874674Z",
"structure_string": "Ta4 H8 O14\n1.0\n5.289046 5.259036 -0.123259\n-0.118945 5.259036 5.416588\n5.170101 -0.000000 5.293329\nTa H O\n4 8 14\ndirect\n0.514634 0.971348 0.496972 Ta\n0.523843 0.476084 0.002602 Ta\n0.028653 0.485366 0.482954 Ta\n0.523917 0.476158 0.502528 Ta\n0.945647 0.323738 0.926234 H\n0.940272 0.908936 0.332466 H\n-0.020115 0.228791 0.265569 H\n0.201918 0.103690 0.133021 H\n0.676263 0.054354 0.695618 H\n0.771210 0.020115 -0.025756 H\n0.896311 0.798083 0.938628 H\n0.091065 0.059729 0.681674 H\n0.841585 0.411947 0.444317 O\n0.476962 0.775749 0.438439 O\n0.861627 0.395512 0.823944 O\n0.488504 0.396722 0.812394 O\n0.858853 0.800322 0.417707 O\n0.496774 0.768087 0.800674 O\n0.588054 0.158416 0.197848 O\n0.224252 0.523039 0.191149 O\n0.603278 0.511497 0.197620 O\n0.199679 0.141148 0.576880 O\n0.231914 0.503227 0.565534 O\n0.864105 0.953558 0.859454 O\n0.604489 0.138373 0.581083 O\n0.046443 0.135895 0.177116 O\n",
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{
"id": "jvasp-46728",
"created_at": "2022-09-04T14:36:13.317789Z",
"updated_at": "2022-09-04T14:36:13.317824Z",
"structure_string": "Li4 Mn3 Sb1 P4 O16\n1.0\n0.000000 4.741148 0.112594\n6.192952 0.000000 0.000000\n0.000000 -0.521391 -11.058572\nLi Mn Sb P O\n4 3 1 4 16\ndirect\n0.018137 0.256619 0.987636 Li\n0.018137 0.743380 0.987636 Li\n0.463791 0.759581 0.519720 Li\n0.463791 0.240419 0.519720 Li\n0.015566 0.000000 0.724391 Mn\n0.527797 0.000000 0.191286 Mn\n0.524086 0.500000 0.788514 Mn\n0.968914 0.500000 0.289736 Sb\n0.902980 0.000000 0.426285 P\n0.599700 0.000000 0.901783 P\n0.443454 0.500000 0.069954 P\n0.051025 0.500000 0.608986 P\n0.772539 0.806439 0.348666 O\n0.727506 0.500000 0.607239 O\n0.765254 0.500000 0.059256 O\n0.720933 0.198971 0.834595 O\n0.720933 0.801028 0.834595 O\n0.748924 0.000000 0.032050 O\n0.283331 0.500000 0.941210 O\n0.194148 0.299565 0.672991 O\n0.337444 0.291527 0.133344 O\n0.276385 0.000000 0.898396 O\n0.223947 0.000000 0.438321 O\n0.194148 0.700434 0.672991 O\n0.772539 0.193561 0.348666 O\n0.158836 0.500000 0.478391 O\n0.337444 0.708473 0.133344 O\n0.768314 0.000000 0.550306 O\n",
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{
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"created_at": "2022-09-04T14:36:03.222356Z",
"updated_at": "2022-09-04T14:36:03.222379Z",
"structure_string": "Ta3 N3\n1.0\n5.238392 0.000000 0.000000\n-2.619196 4.536580 0.000000\n0.000000 0.000000 2.924485\nTa N\n3 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.333332 0.666667 0.499999 Ta\n0.666667 0.333333 0.499999 Ta\n0.392065 0.000000 0.000000 N\n0.607935 0.607935 0.000000 N\n-0.000000 0.392065 0.000000 N\n",
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{
"id": "jvasp-105141",
"created_at": "2022-09-04T14:36:56.264127Z",
"updated_at": "2022-09-04T14:36:56.264158Z",
"structure_string": "Cr1 Co2 Ge1\n1.0\n3.491374 -0.000000 2.015746\n1.163791 3.291699 2.015746\n-0.000000 -0.000000 4.031491\nCr Co Ge\n1 2 1\ndirect\n0.499999 0.500000 0.500001 Cr\n0.749999 0.750000 0.750002 Co\n0.250000 0.250000 0.250001 Co\n0.000000 0.000000 0.000000 Ge\n",
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{
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"created_at": "2022-09-04T14:36:34.171721Z",
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"structure_string": "Mg2 Sn2 O6\n1.0\n4.689014 -0.000167 3.133204\n1.674615 4.379785 3.133204\n-0.000243 -0.000167 5.639488\nMg Sn O\n2 2 6\ndirect\n0.356431 0.356431 0.356431 Mg\n0.643569 0.643569 0.643568 Mg\n0.146601 0.146601 0.146601 Sn\n0.853399 0.853399 0.853397 Sn\n0.448900 0.754263 0.048898 O\n0.754262 0.048898 0.448900 O\n0.951101 0.551100 0.245737 O\n0.048900 0.448900 0.754262 O\n0.245739 0.951102 0.551098 O\n0.551101 0.245737 0.951101 O\n",
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},
{
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"created_at": "2022-09-04T14:38:14.088338Z",
"updated_at": "2022-09-04T14:38:14.088363Z",
"structure_string": "Y4 Si2 C2 O14\n1.0\n6.500488 -0.004220 0.011294\n-0.311998 6.610234 -0.004002\n-2.969164 -0.785802 5.925357\nY Si C O\n4 2 2 14\ndirect\n0.256512 0.668500 0.188368 Y\n0.251117 0.914203 0.701464 Y\n0.743488 0.331499 0.811632 Y\n0.748884 0.085796 0.298536 Y\n0.262921 0.158601 0.241201 Si\n0.737080 0.841399 0.758800 Si\n0.804903 0.588866 0.267009 C\n0.195098 0.411134 0.732991 C\n0.873447 0.666753 0.907971 O\n0.733905 0.402263 0.165465 O\n0.887575 0.967154 0.658804 O\n0.126553 0.333247 0.092029 O\n0.331875 0.983769 0.087716 O\n0.977368 0.353539 0.621627 O\n0.266095 0.597737 0.834535 O\n0.478694 0.751146 0.561448 O\n0.022633 0.646460 0.378373 O\n0.656017 0.715838 0.250401 O\n0.343984 0.284162 0.749600 O\n0.112425 0.032845 0.341197 O\n0.668125 0.016231 0.912285 O\n0.521307 0.248853 0.438552 O\n",
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{
"id": "jvasp-46859",
"created_at": "2022-09-04T14:38:04.170474Z",
"updated_at": "2022-09-04T14:38:04.170498Z",
"structure_string": "Li4 Mn4 F12\n1.0\n4.921054 -0.000000 0.000000\n-0.000000 5.341697 0.000000\n0.000000 0.000000 8.812052\nLi Mn F\n4 4 12\ndirect\n0.000000 0.250000 0.200353 Li\n0.000000 0.750000 0.799647 Li\n0.500000 0.750000 0.700353 Li\n0.500000 0.250000 0.299647 Li\n0.000000 0.750000 0.403010 Mn\n0.000000 0.250000 0.596989 Mn\n0.500000 0.750000 0.096989 Mn\n0.500000 0.250000 0.903010 Mn\n0.250000 0.046568 0.750000 F\n0.250000 0.546568 0.250000 F\n0.278934 0.588081 0.908787 F\n0.278934 0.088081 0.091213 F\n0.721065 0.911920 0.908787 F\n0.778933 0.411920 0.408787 F\n0.749999 0.953433 0.250000 F\n0.749999 0.453432 0.750000 F\n0.221066 0.088081 0.408787 F\n0.778933 0.911920 0.591213 F\n0.721065 0.411920 0.091213 F\n0.221066 0.588081 0.591213 F\n",
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"volume": 231.64046688520625,
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"formula_full": "Li4 Mn4 F12",
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]
}