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{
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{
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{
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"updated_at": "2022-09-04T14:37:51.577231Z",
"structure_string": "Li2 V1 P2 O8\n1.0\n4.866149 -0.011679 0.005641\n-2.423000 4.220095 0.002986\n-0.009814 -0.009551 7.054139\nLi V P O\n2 1 2 8\ndirect\n0.333190 0.666719 0.705156 Li\n0.666764 0.333280 0.294844 Li\n-0.000023 0.000001 0.000001 V\n0.333371 0.666634 0.238441 P\n0.666583 0.333364 0.761563 P\n0.048425 0.697874 0.158253 O\n0.333319 0.666635 0.448551 O\n0.302133 0.350457 0.158323 O\n0.649558 0.951580 0.158337 O\n0.350397 0.048418 0.841660 O\n0.697820 0.649542 0.841675 O\n0.666636 0.333365 0.551454 O\n0.951530 0.302126 0.841744 O\n",
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{
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"structure_string": "Li2 V2 P4 O14\n1.0\n4.231365 0.000188 -2.030792\n-0.000226 8.337413 0.000261\n-0.229984 -0.000222 7.127630\nLi V P O\n2 2 4 14\ndirect\n0.318488 0.483520 0.788267 Li\n0.681511 0.983519 0.211731 Li\n0.271132 0.839976 0.730646 V\n0.728869 0.339977 0.269355 V\n0.434979 0.186844 0.545856 P\n0.061893 0.790772 0.008829 P\n0.938109 0.290771 0.991172 P\n0.565024 0.686843 0.454145 P\n0.685339 0.527631 0.416870 O\n0.804937 0.824593 0.491523 O\n0.566639 0.167876 0.385723 O\n0.218975 0.943456 0.971018 O\n0.244290 0.740338 0.249218 O\n0.755710 0.240337 0.750782 O\n0.314662 0.027631 0.583131 O\n0.433365 0.667876 0.614280 O\n0.195065 0.324594 0.508477 O\n0.882748 0.164096 0.128732 O\n0.117255 0.664095 0.871270 O\n0.274312 0.323689 0.021703 O\n0.781024 0.443456 0.028981 O\n0.725688 0.823689 -0.021703 O\n",
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{
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"structure_string": "Li2 U3 P4 O20\n1.0\n5.236978 -0.027967 -0.842375\n-2.458904 6.253312 -0.569426\n-0.010787 -0.083965 12.562914\nLi U P O\n2 3 4 20\ndirect\n0.386149 0.926642 0.185795 Li\n0.613851 0.073357 0.814205 Li\n0.882605 0.847918 0.631607 U\n0.117395 0.152080 0.368393 U\n0.000000 0.500000 -0.000000 U\n0.520602 0.421899 0.185819 P\n0.011751 0.667277 0.358059 P\n0.988249 0.332721 0.641941 P\n0.479398 0.578100 0.814181 P\n0.842996 0.175562 0.712892 O\n0.233712 0.955161 0.713818 O\n0.689311 0.560717 0.302579 O\n0.016256 0.811614 0.461188 O\n0.310689 0.439281 0.697421 O\n0.883252 0.511150 0.625666 O\n0.280364 0.623347 0.879137 O\n0.687600 0.782765 0.789190 O\n0.116748 0.488849 0.374333 O\n0.463572 0.243620 0.446391 O\n0.619067 0.436828 0.868235 O\n0.380933 0.563170 0.131764 O\n0.536428 0.756379 0.553608 O\n0.719636 0.376651 0.120862 O\n0.766288 0.044837 0.286181 O\n0.943232 0.220056 0.952665 O\n0.983743 0.188384 0.538812 O\n0.312400 0.217234 0.210809 O\n0.056768 0.779942 0.047334 O\n0.157004 0.824437 0.287108 O\n",
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{
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"created_at": "2022-09-04T14:38:20.511356Z",
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"structure_string": "Li4 U6 P4 O30\n1.0\n6.909783 -0.000000 -1.887565\n-0.515631 6.890516 -1.887565\n0.002613 0.002816 13.600626\nLi U P O\n4 6 4 30\ndirect\n0.691636 0.441637 0.883275 Li\n0.941636 0.191637 0.383275 Li\n0.308363 0.558364 0.116726 Li\n0.058363 0.808364 0.616727 Li\n0.459034 0.209034 0.418068 U\n0.540966 0.790967 0.581933 U\n0.290966 0.040966 0.081933 U\n0.875000 0.625000 0.250001 U\n0.709034 0.959035 0.918068 U\n0.125000 0.375001 0.750000 U\n0.837082 0.087082 0.174164 P\n0.587082 0.337082 0.674164 P\n0.162917 0.912918 0.825837 P\n0.412918 0.662918 0.325837 P\n0.196613 0.446614 0.893227 O\n0.126066 0.703740 0.752135 O\n0.287604 0.293039 0.075209 O\n0.946613 0.696614 0.393227 O\n0.370051 0.951801 0.903602 O\n0.053386 0.303387 0.606774 O\n0.548394 0.626067 0.252134 O\n0.548199 0.466452 0.596400 O\n0.966451 0.048200 0.096400 O\n0.126066 0.048394 0.752134 O\n0.548199 0.129949 0.596400 O\n0.803386 0.553387 0.106774 O\n0.287604 0.782171 0.075209 O\n0.282170 0.787605 0.575210 O\n0.712395 0.217830 0.924792 O\n0.629948 0.048200 0.096400 O\n0.712396 0.706962 0.924792 O\n0.717829 0.212396 0.424792 O\n0.451800 0.533549 0.403601 O\n0.451800 0.870052 0.403601 O\n0.203739 0.626067 0.252134 O\n0.873933 0.296261 0.247867 O\n0.796260 0.373934 0.747867 O\n0.206961 0.212396 0.424791 O\n0.033549 0.951801 0.903601 O\n0.451606 0.373934 0.747867 O\n0.375000 0.125000 0.250000 O\n0.793038 0.787605 0.575210 O\n0.873933 0.951607 0.247867 O\n0.625000 0.875001 0.750001 O\n",
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{
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"structure_string": "Li6 Ti2 P4 O16\n1.0\n4.593781 -0.005009 0.006257\n-2.291812 4.586888 -0.066746\n-0.020631 -2.050132 13.585653\nLi Ti P O\n6 2 4 16\ndirect\n0.362060 0.657786 0.335397 Li\n0.297859 0.657628 0.835394 Li\n0.702708 0.339123 0.164195 Li\n0.638637 0.339148 0.664201 Li\n0.044875 -0.001523 0.249789 Li\n0.955767 0.998374 0.749799 Li\n0.000363 0.998482 0.499800 Ti\n0.000267 0.998347 -0.000209 Ti\n0.632605 0.308391 0.881903 P\n0.678069 0.308530 0.381906 P\n0.322642 0.688418 0.617694 P\n0.367936 0.688325 0.117684 P\n0.789529 0.223448 0.963550 O\n0.436190 0.223590 0.463553 O\n0.828808 0.320227 0.789794 O\n0.023474 0.384695 0.587065 O\n0.493695 0.320335 0.289793 O\n0.363333 0.384574 0.087074 O\n0.637164 0.612116 0.912526 O\n0.206653 0.935954 0.635568 O\n0.977223 0.612268 0.412527 O\n0.171780 0.676565 0.209802 O\n0.564544 0.773381 0.536054 O\n0.210983 0.773228 0.036032 O\n0.794070 0.061005 0.364035 O\n0.731468 0.935848 0.135550 O\n0.506980 0.676554 0.709805 O\n0.269081 0.060859 0.864030 O\n",
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"structure_string": "Li1 Ti1 P2 O7\n1.0\n3.288623 4.134178 0.023121\n-3.288623 4.134178 -0.023121\n-1.096202 0.000000 4.434063\nLi Ti P O\n1 1 2 7\ndirect\n0.749915 0.749915 0.000000 Li\n0.125461 0.125461 0.000000 Ti\n0.252456 0.668437 0.588899 P\n0.668437 0.252456 0.411101 P\n0.071822 0.814109 0.289925 O\n0.346262 0.844794 0.799335 O\n0.129263 0.466152 0.745320 O\n0.526178 0.526178 0.500000 O\n0.466152 0.129263 0.254680 O\n0.844795 0.346262 0.200664 O\n0.814110 0.071822 0.710074 O\n",
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{
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"created_at": "2022-09-04T14:37:02.543697Z",
"updated_at": "2022-09-04T14:37:02.543726Z",
"structure_string": "Li6 Ti2 P4 O16\n1.0\n0.000000 4.936397 0.009271\n8.902324 0.000000 0.000000\n0.000000 -4.423147 -6.323300\nLi Ti P O\n6 2 4 16\ndirect\n0.319639 0.137147 0.310627 Li\n0.000000 0.500000 0.000000 Li\n0.680362 0.637147 0.189374 Li\n-0.000000 0.000000 0.500000 Li\n0.319639 0.362853 0.810627 Li\n0.680361 0.862853 0.689374 Li\n0.500000 0.500000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.189905 0.817959 0.216828 P\n0.810095 0.317959 0.283172 P\n0.189905 0.682041 0.716828 P\n0.810095 0.182041 0.783172 P\n0.476439 0.646451 0.691272 O\n0.853519 0.867204 0.012015 O\n0.523561 0.146451 0.808728 O\n0.146481 0.367204 0.487985 O\n0.745565 0.401734 0.091266 O\n0.832861 0.144833 0.256796 O\n0.167139 0.855167 0.743204 O\n0.745564 0.098266 0.591266 O\n0.853519 0.632796 0.512015 O\n0.476439 0.853549 0.191272 O\n0.146481 0.132796 0.987985 O\n0.523561 0.353549 0.308728 O\n0.254436 0.901734 0.408734 O\n0.832861 0.355167 0.756796 O\n0.254436 0.598266 0.908734 O\n0.167139 0.644833 0.243204 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Li-O-P-Ti",
"density": 3.0951109543384296,
"density_atomic": 0.10089547437856075,
"volume": 277.5149249503872,
"volume_molar": 5.968692646614528,
"formula_full": "Li6 Ti2 P4 O16",
"formula_reduced": "Li3Ti(PO4)2",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.5662176666666667,
"spacegroup": 14
},
{
"id": "jvasp-10260",
"created_at": "2022-09-04T14:38:14.423148Z",
"updated_at": "2022-09-04T14:38:14.423175Z",
"structure_string": "Li8 Pt1 O6\n1.0\n4.816206 0.002611 3.425010\n1.768496 4.479763 3.425010\n0.003837 0.002611 5.909866\nLi Pt O\n8 1 6\ndirect\n0.343080 0.343079 0.343079 Li\n0.514303 0.900371 0.232274 Li\n0.232276 0.514301 0.900372 Li\n0.900374 0.232274 0.514301 Li\n0.485700 0.099628 0.767726 Li\n0.767727 0.485698 0.099628 Li\n0.656922 0.656920 0.656920 Li\n0.099629 0.767725 0.485699 Li\n0.000000 0.000000 0.000000 Pt\n0.237508 0.906663 0.613502 O\n0.093338 0.386498 0.762493 O\n0.762494 0.093336 0.386498 O\n0.613503 0.237506 0.906663 O\n0.906665 0.613501 0.237506 O\n0.386499 0.762493 0.093336 O\n",
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"elements": [
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],
"chemical_system": "Li-O-Pt",
"density": 4.517901990236191,
"density_atomic": 0.11774429760425079,
"volume": 127.39470450124348,
"volume_molar": 5.114592283900626,
"formula_full": "Li8 Pt1 O6",
"formula_reduced": "Li8PtO6",
"formula_anonymous": "AB6C8",
"energy_above_hull": 1.7521421600000002,
"spacegroup": 148
}
]
}