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{
"id": "jvasp-46539",
"created_at": "2022-09-04T14:37:28.505070Z",
"updated_at": "2022-09-04T14:37:28.505098Z",
"structure_string": "Li2 Mn2 Al2 O6\n1.0\n5.511335 0.309004 -0.186845\n-2.456007 4.717121 0.222290\n-2.915521 -1.690574 4.843054\nLi Mn Al O\n2 2 2 6\ndirect\n0.316400 0.076351 0.569447 Li\n0.683599 0.923649 0.430553 Li\n0.666642 0.422030 0.261373 Mn\n0.333357 0.577970 0.738627 Mn\n0.008557 0.756691 0.921138 Al\n-0.008557 0.243309 0.078861 Al\n0.015514 0.757381 0.619481 O\n0.706502 0.426140 0.916138 O\n0.283320 0.071929 0.218714 O\n0.716679 0.928070 0.781286 O\n0.293497 0.573860 0.083862 O\n0.984485 0.242618 0.380519 O\n",
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{
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"structure_string": "V6 O8 F4\n1.0\n4.659723 -0.022021 -0.020159\n0.339542 5.510312 0.040902\n0.344219 0.714825 7.485212\nV O F\n6 8 4\ndirect\n0.500000 0.000001 0.500000 V\n0.466377 0.648900 0.821507 V\n0.533622 0.351101 0.178492 V\n-0.000000 0.500000 0.500000 V\n0.985303 0.817869 0.164239 V\n0.014696 0.182132 0.835760 V\n0.195070 0.463646 0.730986 O\n0.292465 0.964369 0.735668 O\n0.302168 0.634351 0.064491 O\n0.301341 0.300909 0.400247 O\n0.698658 0.699092 0.599753 O\n0.697831 0.365650 0.935508 O\n0.804929 0.536355 0.269014 O\n0.707534 0.035632 0.264331 O\n0.203281 0.134660 0.070168 F\n0.796718 0.865341 0.929832 F\n0.796552 0.198761 0.601802 F\n0.203447 0.801240 0.398197 F\n",
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{
"id": "jvasp-7844",
"created_at": "2022-09-04T14:37:03.431335Z",
"updated_at": "2022-09-04T14:37:03.431365Z",
"structure_string": "Al1 N1\n1.0\n2.696697 0.000000 1.556939\n0.898899 2.542471 1.556939\n0.000000 0.000000 3.113878\nAl N\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 N\n",
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"volume": 21.349600516127687,
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"formula_full": "Al1 N1",
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"energy_above_hull": 1.4628130249999995,
"spacegroup": 216
},
{
"id": "jvasp-9501",
"created_at": "2022-09-04T14:37:09.545926Z",
"updated_at": "2022-09-04T14:37:09.545942Z",
"structure_string": "Zn2 Cr2 Si2 O10\n1.0\n5.163559 -0.063407 -0.041709\n-1.225568 5.275725 -0.007075\n-1.835678 -2.374026 6.310064\nZn Cr Si O\n2 2 2 10\ndirect\n0.306311 0.174367 0.794119 Zn\n0.702183 0.815493 0.234959 Zn\n0.004252 0.494918 0.514559 Cr\n0.004248 0.494925 0.014562 Cr\n0.690238 0.831573 0.752487 Si\n0.318267 0.158276 0.276623 Si\n0.742140 0.689270 0.933102 O\n0.947965 0.842619 0.652534 O\n0.266349 0.300582 0.096010 O\n0.060551 0.147213 0.376591 O\n0.629111 0.304879 0.466906 O\n0.323092 0.846224 0.165067 O\n0.379402 0.684940 0.562202 O\n0.685390 0.143623 0.864030 O\n0.896677 0.543878 0.254174 O\n0.111804 0.445963 0.774944 O\n",
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"elements": [
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"density_atomic": 0.09368091348986521,
"volume": 170.79252756999372,
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"formula_full": "Zn2 Cr2 Si2 O10",
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},
{
"id": "jvasp-32178",
"created_at": "2022-09-04T14:37:36.904551Z",
"updated_at": "2022-09-04T14:37:36.904577Z",
"structure_string": "H16 Pt2 N4 Cl4 O4\n1.0\n5.750514 0.000000 -1.674774\n0.000000 6.765941 0.000000\n0.027520 0.000000 8.222376\nH Pt N Cl O\n16 2 4 4 4\ndirect\n0.646873 0.258430 0.441552 H\n0.812276 0.616784 0.718650 H\n0.812276 0.883215 0.218650 H\n0.187723 0.383215 0.281351 H\n0.877332 0.347550 0.080847 H\n0.122667 0.847550 0.419153 H\n0.122667 0.652450 0.919154 H\n0.877332 0.152450 0.580848 H\n0.187723 0.116785 0.781351 H\n0.141290 0.846531 0.630135 H\n0.141290 0.653469 0.130134 H\n0.858710 0.153469 0.369866 H\n0.646873 0.241570 0.941552 H\n0.353126 0.741570 0.558449 H\n0.858710 0.346531 0.869866 H\n0.353126 0.758429 0.058449 H\n0.000000 0.000000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n0.177099 0.733986 0.031523 N\n0.177099 0.766014 0.531523 N\n0.822900 0.233986 0.468477 N\n0.822900 0.266014 0.968478 N\n0.349749 0.334455 0.621287 Cl\n0.650250 0.834455 0.878714 Cl\n0.650250 0.665544 0.378714 Cl\n0.349749 0.165545 0.121287 Cl\n0.055368 0.473937 0.267872 O\n0.944632 0.973937 0.232129 O\n0.944632 0.526062 0.732129 O\n0.055368 0.026062 0.767872 O\n",
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"density_atomic": 0.0936841069053421,
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"formula_full": "H16 Pt2 N4 Cl4 O4",
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{
"id": "jvasp-101110",
"created_at": "2022-09-04T14:36:35.982700Z",
"updated_at": "2022-09-04T14:36:35.982713Z",
"structure_string": "Ta1 B2 Mo3 C2\n1.0\n8.922108 0.000909 0.000000\n-8.371772 3.085037 0.000000\n-0.000000 -0.000000 3.101505\nTa B Mo C\n1 2 3 2\ndirect\n0.315744 0.684257 0.499999 Ta\n0.471152 0.528849 0.499999 B\n0.528626 0.471376 -0.000000 B\n0.683035 0.316966 -0.000000 Mo\n0.072233 0.927768 0.499999 Mo\n0.931091 0.068909 -0.000000 Mo\n0.190346 0.809656 0.499999 C\n0.807777 0.192224 -0.000000 C\n",
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"volume": 85.3926306681807,
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"formula_full": "Ta1 B2 Mo3 C2",
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{
"id": "jvasp-90528",
"created_at": "2022-09-04T14:35:48.051829Z",
"updated_at": "2022-09-04T14:35:48.051858Z",
"structure_string": "V2 Ni1 O6\n1.0\n5.351393 0.055104 0.038397\n3.018377 4.420935 0.044280\n3.030216 1.619333 4.119292\nV Ni O\n2 1 6\ndirect\n-0.009878 0.988939 0.988569 V\n0.485929 0.485981 0.484085 V\n0.695569 0.695768 0.695868 Ni\n0.124012 0.753840 0.406068 O\n0.406290 0.123670 0.753653 O\n0.753579 0.406990 0.123432 O\n0.271210 0.651179 0.873491 O\n0.651439 0.872493 0.272903 O\n0.872661 0.271928 0.651933 O\n",
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],
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"volume": 96.06670318592914,
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},
{
"id": "jvasp-12670",
"created_at": "2022-09-04T14:37:02.207343Z",
"updated_at": "2022-09-04T14:37:02.207370Z",
"structure_string": "V4 O8\n1.0\n2.859862 0.000000 0.000000\n0.000000 4.824817 0.000000\n0.000000 0.000000 9.282824\nV O\n4 8\ndirect\n0.250000 0.397699 0.635922 V\n0.749999 0.602302 0.364078 V\n0.749999 0.897699 0.864077 V\n0.250000 0.102302 0.135922 V\n0.250000 0.716448 0.482842 O\n0.749999 0.283552 0.517158 O\n0.749999 0.216448 0.017158 O\n0.250000 0.783552 0.982841 O\n0.250000 0.105613 0.764185 O\n0.749999 0.894388 0.235815 O\n0.250000 0.394388 0.264185 O\n0.749999 0.605613 0.735814 O\n",
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},
{
"id": "jvasp-29804",
"created_at": "2022-09-04T14:37:29.931643Z",
"updated_at": "2022-09-04T14:37:29.931668Z",
"structure_string": "Cd1 H2 O2\n1.0\n3.823333 -0.000242 0.000017\n-1.911876 3.311467 -0.000000\n-0.000006 -0.000003 4.215459\nCd H O\n1 2 2\ndirect\n0.999982 0.999994 0.974326 Cd\n0.666725 0.333363 0.015598 H\n0.333331 0.666668 0.443118 H\n0.666632 0.333318 0.781446 O\n0.333326 0.666664 0.210865 O\n",
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},
{
"id": "jvasp-109157",
"created_at": "2022-09-04T14:38:18.387503Z",
"updated_at": "2022-09-04T14:38:18.387520Z",
"structure_string": "Na1 Fe2 O4\n1.0\n2.858212 0.044641 -0.021269\n-0.081599 4.569473 -1.403531\n0.043742 -0.011773 5.722385\nNa Fe O\n1 2 4\ndirect\n-0.000001 0.500000 0.500001 Na\n0.499999 0.500000 -0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.000054 0.272249 0.816544 O\n0.500084 0.769830 0.813422 O\n0.999944 0.727751 0.183457 O\n0.499914 0.230170 0.186579 O\n",
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{
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"created_at": "2022-09-04T14:38:01.328940Z",
"updated_at": "2022-09-04T14:38:01.328968Z",
"structure_string": "Co2 H4 Se2 O10\n1.0\n5.109637 -0.039856 -1.590115\n-1.202008 4.966402 -1.590115\n0.003148 0.003970 7.582163\nCo H Se O\n2 4 2 10\ndirect\n0.000000 0.000000 0.500000 Co\n0.500000 0.499999 0.000001 Co\n0.626123 0.034565 0.199466 H\n0.465434 0.873877 0.300535 H\n0.373878 0.965433 0.800535 H\n0.534566 0.126122 0.699466 H\n0.914743 0.585256 0.750001 Se\n0.085257 0.414743 0.250000 Se\n0.191803 0.289421 0.429404 O\n0.814190 0.243119 0.649570 O\n0.743120 0.314188 0.149570 O\n0.185811 0.756880 0.350431 O\n0.381141 0.118859 0.750000 O\n0.618859 0.881140 0.250001 O\n0.789422 0.691802 0.929405 O\n0.808197 0.710578 0.570596 O\n0.210579 0.308197 0.070596 O\n0.256881 0.685811 0.850430 O\n",
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},
{
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"created_at": "2022-09-04T14:36:48.851984Z",
"updated_at": "2022-09-04T14:36:48.852004Z",
"structure_string": "Cr1 O2\n1.0\n2.698973 -0.041591 3.873478\n1.185915 2.424828 3.873478\n-0.067798 -0.041591 4.720560\nCr O\n1 2\ndirect\n0.499999 0.500001 0.500000 Cr\n0.761808 0.761810 0.761809 O\n0.238191 0.238192 0.238192 O\n",
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"formula_full": "Cr1 O2",
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"spacegroup": 166
}
]
}