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{
"id": "jvasp-44753",
"created_at": "2022-09-04T14:38:12.578706Z",
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"structure_string": "Li5 Mn2 V3 O10\n1.0\n4.948334 0.017368 -0.057490\n-1.036444 4.916303 -0.030476\n-1.810784 -2.492769 7.201900\nLi Mn V O\n5 2 3 10\ndirect\n0.213079 0.928005 0.419593 Li\n0.389379 0.284391 0.766339 Li\n0.500000 0.500000 0.500000 Li\n0.610621 0.715608 0.233661 Li\n0.786922 0.071995 0.580406 Li\n0.108471 0.697505 0.687942 Mn\n0.891530 0.302495 0.312058 Mn\n0.259539 0.080349 0.087301 V\n0.000000 0.500000 -0.000000 V\n0.740461 0.919650 0.912698 V\n0.659568 0.285937 0.055872 O\n0.059744 0.122519 0.846738 O\n0.340432 0.714062 0.944128 O\n0.134728 0.300139 0.536541 O\n0.233343 0.465922 0.233355 O\n0.460350 0.908246 0.671262 O\n0.539651 0.091754 0.328738 O\n0.766658 0.534077 0.766644 O\n0.865273 0.699861 0.463459 O\n0.940256 0.877480 0.153261 O\n",
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{
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"structure_string": "Rh2 N2\n1.0\n1.519371 -2.631628 0.000000\n1.519371 2.631628 0.000000\n0.000000 -0.000000 5.125589\nRh N\n2 2\ndirect\n0.000000 0.000000 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.333333 0.666667 0.250000 N\n0.666667 0.333333 0.750000 N\n",
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{
"id": "jvasp-52404",
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"updated_at": "2022-09-04T14:36:35.067170Z",
"structure_string": "Ba1 Si1 P4 H2 O14\n1.0\n4.629662 0.000802 0.002342\n1.639266 6.441255 -0.035343\n0.714847 2.146781 8.717368\nBa Si P H O\n1 1 4 2 14\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 -0.000000 0.500000 Si\n0.412076 0.173378 0.665042 P\n0.587926 0.826621 0.334958 P\n0.090271 0.567256 0.739877 P\n0.909730 0.432742 0.260123 P\n0.542596 0.546962 0.834705 H\n0.457406 0.453037 0.165295 H\n0.879909 0.445705 0.837005 O\n0.120093 0.554294 0.162995 O\n0.920233 0.775730 0.637919 O\n0.079769 0.224268 0.362082 O\n0.716306 0.570149 0.372459 O\n0.283695 0.429850 0.627541 O\n0.146826 0.078150 0.649173 O\n0.356281 0.848488 0.463428 O\n0.853175 0.921849 0.350828 O\n0.316826 0.619316 0.836391 O\n0.488351 0.902713 0.171457 O\n0.511651 0.097285 0.828543 O\n0.643721 0.151511 0.536573 O\n0.683176 0.380683 0.163609 O\n",
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{
"id": "jvasp-48182",
"created_at": "2022-09-04T14:35:46.491427Z",
"updated_at": "2022-09-04T14:35:46.491444Z",
"structure_string": "Li1 V1 P3 O9\n1.0\n5.085331 2.936017 2.299606\n-5.085331 2.936017 2.299606\n0.000000 -5.872034 2.299606\nLi V P O\n1 1 3 9\ndirect\n0.370836 0.370836 0.370836 Li\n0.995299 0.995299 0.995297 V\n0.038489 0.912393 0.486070 P\n0.912393 0.486071 0.038488 P\n0.486071 0.038489 0.912393 P\n0.269851 0.872940 0.639474 O\n0.087826 0.382410 0.131790 O\n0.634423 0.899908 0.964296 O\n0.899909 0.964297 0.634421 O\n0.131790 0.087826 0.382409 O\n0.872940 0.639475 0.269850 O\n0.382410 0.131790 0.087826 O\n0.964297 0.634423 0.899907 O\n0.639475 0.269851 0.872938 O\n",
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"density_atomic": 0.06795877788170923,
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"formula_full": "Li1 V1 P3 O9",
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{
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"structure_string": "U2 P4 S12\n1.0\n6.886763 -0.000000 0.000000\n0.000000 6.886763 0.000000\n0.000000 0.000000 9.739793\nU P S\n2 4 12\ndirect\n0.000000 0.000000 0.750000 U\n0.000000 0.000000 0.250000 U\n0.062164 0.344306 0.500000 P\n0.937835 0.655694 0.500000 P\n0.344306 0.937835 0.000000 P\n0.655694 0.062164 0.000000 P\n0.780895 0.688041 0.324675 S\n0.311959 0.780895 0.824674 S\n0.688041 0.219104 0.824674 S\n0.219104 0.311959 0.324675 S\n0.831126 0.820551 0.000000 S\n0.168874 0.179449 0.000000 S\n0.820551 0.168874 0.500000 S\n0.780895 0.688041 0.675325 S\n0.688041 0.219104 0.175325 S\n0.219104 0.311959 0.675325 S\n0.179449 0.831126 0.500000 S\n0.311959 0.780895 0.175325 S\n",
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{
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"created_at": "2022-09-04T14:38:41.946457Z",
"updated_at": "2022-09-04T14:38:41.946472Z",
"structure_string": "Nb2 Cr6 Ag4 S16\n1.0\n7.252413 -0.000000 0.000000\n0.000000 7.300614 0.000000\n-0.000000 -0.000000 10.194029\nNb Cr Ag S\n2 6 4 16\ndirect\n-0.000000 0.461061 0.500000 Nb\n0.500000 0.538939 0.500000 Nb\n0.254554 0.752859 0.247152 Cr\n0.745446 0.752859 0.752848 Cr\n0.245446 0.247140 0.247152 Cr\n0.754554 0.247140 0.752848 Cr\n-0.000000 0.997761 -0.000000 Cr\n0.500000 0.002238 -0.000000 Cr\n0.250000 0.500000 0.883846 Ag\n0.250000 0.000000 0.642000 Ag\n0.750000 0.500000 0.116155 Ag\n0.750000 0.000000 0.358000 Ag\n0.465201 0.002976 0.233710 S\n0.527727 0.495132 0.739787 S\n0.761977 0.736280 0.510677 S\n0.252126 0.782003 0.014677 S\n0.752126 0.217997 0.985323 S\n0.261977 0.263720 0.489324 S\n0.472273 0.495132 0.260213 S\n0.238023 0.736280 0.489324 S\n0.972273 0.504868 0.739787 S\n0.034799 0.997023 0.233710 S\n0.247874 0.217997 0.014677 S\n0.738022 0.263720 0.510677 S\n0.027727 0.504868 0.260213 S\n0.747874 0.782003 0.985323 S\n0.534799 0.002976 0.766290 S\n0.965201 0.997023 0.766290 S\n",
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"density_atomic": 0.05187645037252834,
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{
"id": "jvasp-71974",
"created_at": "2022-09-04T14:35:50.592110Z",
"updated_at": "2022-09-04T14:35:50.592138Z",
"structure_string": "Mn2 Be1 Pd1\n1.0\n-1.646349 1.646349 4.142673\n1.646349 -1.646349 4.142673\n1.646349 1.646349 -4.142673\nMn Be Pd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.750000 0.250000 0.500000 Be\n0.250000 0.750000 0.500000 Pd\n",
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"formula_full": "Mn2 Be1 Pd1",
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},
{
"id": "jvasp-12702",
"created_at": "2022-09-04T14:38:10.278936Z",
"updated_at": "2022-09-04T14:38:10.278955Z",
"structure_string": "Mn4 Ni2 O12\n1.0\n4.958963 -0.000682 -0.000000\n-2.492647 4.286960 -0.000000\n-0.000000 -0.000000 9.000084\nMn Ni O\n4 2 12\ndirect\n0.666527 0.333472 0.000000 Mn\n0.833473 0.166529 0.500000 Mn\n0.333472 0.666526 0.000000 Mn\n0.166529 0.833474 0.500000 Mn\n0.000000 0.000000 0.000000 Ni\n0.499999 0.499999 0.500000 Ni\n0.169692 0.500492 0.394167 O\n0.330724 0.330725 0.105603 O\n0.169276 0.169278 0.605603 O\n0.669692 0.000493 0.105833 O\n0.000492 0.669692 0.105833 O\n0.669277 0.669277 0.894395 O\n0.830723 0.830724 0.394397 O\n0.500491 0.169691 0.394167 O\n0.830308 0.499507 0.605832 O\n0.330308 -0.000492 0.894167 O\n-0.000493 0.330309 0.894167 O\n0.499506 0.830308 0.605832 O\n",
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{
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"created_at": "2022-09-04T14:36:40.943658Z",
"updated_at": "2022-09-04T14:36:40.943675Z",
"structure_string": "Li4 Mn3 Ni1 P4 O16\n1.0\n0.000000 4.731199 -0.001772\n6.060749 0.000000 0.000000\n0.000000 -0.014548 -10.326680\nLi Mn Ni P O\n4 3 1 4 16\ndirect\n0.998430 0.250802 0.005243 Li\n0.998430 0.749198 0.005243 Li\n0.501829 0.747113 0.494139 Li\n0.501829 0.252887 0.494139 Li\n0.029999 0.000000 0.718006 Mn\n0.471539 0.000000 0.221665 Mn\n0.524666 0.500000 0.779367 Mn\n0.973932 0.500000 0.278477 Ni\n0.915570 0.000000 0.407475 P\n0.587699 0.000000 0.909279 P\n0.412063 0.500000 0.097181 P\n0.084473 0.500000 0.586097 P\n0.782003 0.795209 0.337184 O\n0.760882 0.500000 0.591403 O\n0.737066 0.500000 0.101474 O\n0.721860 0.203742 0.838922 O\n0.721860 0.796259 0.838922 O\n0.712267 0.000000 0.048604 O\n0.292174 0.500000 0.956878 O\n0.221007 0.297633 0.657708 O\n0.274000 0.296476 0.166174 O\n0.263704 0.000000 0.906265 O\n0.239821 0.000000 0.406190 O\n0.221007 0.702367 0.657708 O\n0.782003 0.204792 0.337184 O\n0.207853 0.500000 0.446623 O\n0.274000 0.703524 0.166174 O\n0.788029 0.000000 0.546274 O\n",
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{
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"updated_at": "2022-09-04T14:38:14.678791Z",
"structure_string": "Ba2 Y1 Cr3 O8\n1.0\n3.930733 0.000000 0.000000\n-0.000000 3.930733 0.000000\n-0.000000 0.000000 11.455259\nBa Y Cr O\n2 1 3 8\ndirect\n0.500000 0.500000 0.168999 Ba\n0.500000 0.500000 0.830995 Ba\n0.500000 0.500000 0.500001 Y\n0.000000 0.000000 0.342745 Cr\n0.000000 0.000000 0.999998 Cr\n0.000000 0.000000 0.657256 Cr\n0.000000 0.500000 0.377159 O\n0.500000 0.000000 0.377159 O\n0.500000 0.000000 0.999997 O\n0.000000 0.000000 0.176563 O\n0.000000 0.500000 0.622845 O\n0.500000 0.000000 0.622845 O\n0.000000 0.000000 0.823435 O\n0.000000 0.500000 0.999997 O\n",
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],
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},
{
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"created_at": "2022-09-04T14:38:01.342082Z",
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"structure_string": "Mn4 O6\n1.0\n4.931075 -0.180877 -0.220360\n2.699089 3.553886 2.117273\n0.244049 0.060572 5.353566\nMn O\n4 6\ndirect\n0.653474 0.692988 0.960474 Mn\n0.346529 0.307008 0.039530 Mn\n0.153490 0.692959 0.460488 Mn\n0.846509 0.307045 0.539508 Mn\n0.560506 0.500052 0.749951 O\n0.749998 0.810529 0.249948 O\n0.060465 0.189512 0.250012 O\n0.939538 0.810486 0.749988 O\n0.250005 0.189473 0.750052 O\n0.439493 0.499948 0.250049 O\n",
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"formula_full": "Mn4 O6",
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},
{
"id": "jvasp-109810",
"created_at": "2022-09-04T14:38:06.076417Z",
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"structure_string": "Mn4 O6\n1.0\n4.934602 -0.228184 0.107444\n2.578561 3.458795 2.403288\n-0.122864 -0.104217 5.356064\nMn O\n4 6\ndirect\n0.653555 0.692983 0.960465 Mn\n0.846443 0.307045 0.539535 Mn\n0.153553 0.692961 0.460458 Mn\n0.346448 0.307016 0.039537 Mn\n0.560475 0.500026 0.749983 O\n0.749977 0.810553 0.249980 O\n0.060434 0.189538 0.250003 O\n0.939569 0.810460 0.749995 O\n0.250023 0.189451 0.750018 O\n0.439521 0.499976 0.250016 O\n",
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}
]
}