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"results": [
{
"id": "jvasp-46643",
"created_at": "2022-09-04T14:37:29.703913Z",
"updated_at": "2022-09-04T14:37:29.703938Z",
"structure_string": "Li4 Mn3 V3 Cr2 O16\n1.0\n5.705991 0.019026 -0.044594\n2.836196 4.972569 -0.036857\n0.073896 0.014813 9.392569\nLi Mn V Cr O\n4 3 3 2 16\ndirect\n0.664835 0.670313 0.892613 Li\n0.000409 0.999437 0.993517 Li\n0.997484 0.004924 0.497096 Li\n0.330913 0.338179 0.395187 Li\n0.833755 0.332587 0.212831 Mn\n0.655934 0.177053 0.713261 Mn\n0.166949 0.177043 0.713264 Mn\n0.349572 0.829332 0.214174 V\n0.176367 0.647190 0.712425 V\n0.821192 0.829345 0.214149 V\n0.665662 0.668641 0.490273 Cr\n0.331083 0.337915 0.987960 Cr\n0.169066 0.661992 0.102300 O\n0.663699 0.161285 0.098161 O\n0.338011 0.323916 0.597179 O\n0.038015 0.479889 0.844754 O\n0.482057 0.479917 0.844731 O\n0.830426 0.339098 0.601079 O\n0.519811 0.523324 0.341477 O\n0.515756 0.968593 0.347225 O\n0.335043 0.830749 0.601309 O\n0.997778 0.004342 0.806896 O\n0.000104 -0.000114 0.309812 O\n0.672694 0.654724 0.098016 O\n0.477487 0.044947 0.837154 O\n0.834137 0.830743 0.601324 O\n0.956890 0.523366 0.341484 O\n0.175189 0.161272 0.098193 O\n",
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],
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"volume_molar": 5.721252574949733,
"formula_full": "Li4 Mn3 V3 Cr2 O16",
"formula_reduced": "Li4Mn3V3Cr2O16",
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{
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"updated_at": "2022-09-04T14:37:56.696922Z",
"structure_string": "Li4 Ti3 Co3 Ni2 O16\n1.0\n5.696647 -0.015190 0.056707\n2.788546 4.967183 0.059999\n0.129287 0.065771 9.388334\nLi Ti Co Ni O\n4 3 3 2 16\ndirect\n0.324579 0.324669 0.892056 Li\n0.022906 0.022672 0.994469 Li\n0.016709 0.016181 0.496181 Li\n0.656086 0.656313 0.401854 Li\n0.660322 0.162469 0.212488 Ti\n0.161970 0.660351 0.212467 Ti\n0.832526 0.832619 0.709980 Ti\n0.828471 0.341361 0.713361 Co\n0.341518 0.828288 0.713365 Co\n0.174748 0.174680 0.212958 Co\n0.332012 0.331958 0.489640 Ni\n0.664404 0.664441 0.981674 Ni\n0.838102 0.838209 0.099550 O\n0.836721 0.336390 0.103026 O\n0.664584 0.664323 0.604333 O\n0.511786 0.953363 0.842546 O\n0.953336 0.511829 0.842536 O\n0.166935 0.166712 0.608289 O\n0.030685 0.471836 0.342285 O\n0.473861 0.474102 0.343705 O\n0.166005 0.675835 0.599582 O\n0.003179 0.003122 0.811460 O\n0.002832 0.002947 0.311110 O\n0.338682 0.338604 0.096492 O\n0.513145 0.513088 0.827508 O\n0.676138 0.165782 0.599541 O\n0.471675 0.030942 0.342325 O\n0.336409 0.836607 0.103062 O\n",
"nsites": 28,
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"elements": [
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],
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"density_atomic": 0.10526155094216073,
"volume": 266.0040608311527,
"volume_molar": 5.721121060917158,
"formula_full": "Li4 Ti3 Co3 Ni2 O16",
"formula_reduced": "Li4Ti3Co3(NiO8)2",
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{
"id": "jvasp-102837",
"created_at": "2022-09-04T14:36:47.265792Z",
"updated_at": "2022-09-04T14:36:47.265815Z",
"structure_string": "Mn1 H2 O2\n1.0\n3.570629 -0.000000 0.000000\n-1.785314 3.092256 0.000000\n-0.000000 -0.000000 4.302061\nMn H O\n1 2 2\ndirect\n0.333334 0.666667 0.967822 Mn\n0.000000 0.000000 0.021256 H\n0.666667 0.333334 0.435149 H\n0.000000 0.000000 0.790264 O\n0.666667 0.333334 0.207983 O\n",
"nsites": 5,
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"elements": [
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],
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"formula_full": "Mn1 H2 O2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 156
},
{
"id": "jvasp-90196",
"created_at": "2022-09-04T14:36:00.321740Z",
"updated_at": "2022-09-04T14:36:00.321763Z",
"structure_string": "Nd1 Cr2 B6\n1.0\n-0.000000 -0.000000 -3.113867\n-3.297424 4.163505 -1.556934\n3.297424 4.163505 -1.556934\nNd Cr B\n1 2 6\ndirect\n-0.000001 0.499999 0.499999 Nd\n0.845408 0.154592 0.154592 Cr\n0.154591 0.845407 0.845407 Cr\n0.500000 0.137748 0.862251 B\n0.500000 0.862251 0.137748 B\n0.697638 0.037516 0.567206 B\n0.302360 0.432793 0.962483 B\n0.697638 0.567206 0.037516 B\n0.302360 0.962483 0.432793 B\n",
"nsites": 9,
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"elements": [
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],
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"density": 6.080908978025452,
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},
{
"id": "jvasp-58570",
"created_at": "2022-09-04T14:38:12.875196Z",
"updated_at": "2022-09-04T14:38:12.875216Z",
"structure_string": "Zn2 Cu4 O8\n1.0\n2.925529 0.000000 -0.000000\n-1.462764 4.826364 -0.000000\n0.000000 -0.000000 9.418841\nZn Cu O\n2 4 8\ndirect\n0.391272 0.782542 0.750000 Zn\n0.608729 0.217457 0.250000 Zn\n0.868232 0.736463 0.069798 Cu\n0.131769 0.263536 0.930202 Cu\n0.868232 0.736463 0.430202 Cu\n0.131769 0.263536 0.569798 Cu\n0.221619 0.443237 0.387140 O\n0.778382 0.556762 0.612860 O\n0.778382 0.556762 0.887140 O\n0.221619 0.443237 0.112860 O\n0.958532 0.917061 0.250000 O\n0.041470 0.082938 0.750000 O\n0.500000 -0.000000 0.000000 O\n0.500000 -0.000000 0.500000 O\n",
"nsites": 14,
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],
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"formula_full": "Zn2 Cu4 O8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 63
},
{
"id": "jvasp-20375",
"created_at": "2022-09-04T14:37:39.325692Z",
"updated_at": "2022-09-04T14:37:39.325710Z",
"structure_string": "Ni12 B4\n1.0\n4.411370 0.000000 0.000000\n-0.000000 5.184946 0.000000\n0.000000 0.000000 6.644315\nNi B\n12 4\ndirect\n0.657488 0.820218 0.937250 Ni\n0.157488 0.679783 0.062750 Ni\n0.842512 0.320218 0.562751 Ni\n0.342512 0.179783 0.437250 Ni\n0.866860 0.027267 0.250000 Ni\n0.366860 0.472733 0.750001 Ni\n0.633140 0.527268 0.250000 Ni\n0.133140 0.972733 0.750001 Ni\n0.657488 0.820218 0.562751 Ni\n0.157488 0.679783 0.437250 Ni\n0.842512 0.320218 0.937250 Ni\n0.342512 0.179783 0.062750 Ni\n0.559221 0.118028 0.750001 B\n0.059221 0.381973 0.250000 B\n0.940779 0.618028 0.750001 B\n0.440779 0.881973 0.250000 B\n",
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],
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"density": 8.168268491231547,
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"volume": 151.97352493341623,
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"formula_full": "Ni12 B4",
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},
{
"id": "jvasp-43318",
"created_at": "2022-09-04T14:37:28.979425Z",
"updated_at": "2022-09-04T14:37:28.979447Z",
"structure_string": "Li4 Mn2 Cr6 O16\n1.0\n2.885502 -4.997836 0.000000\n2.885502 4.997836 -0.000000\n0.000000 -0.000000 9.220791\nLi Mn Cr O\n4 2 6 16\ndirect\n0.333332 0.666667 0.107004 Li\n0.000000 0.000000 0.004054 Li\n0.000000 0.000000 0.504054 Li\n0.666667 0.333332 0.607004 Li\n0.333332 0.666667 0.513403 Mn\n0.666667 0.333332 0.013403 Mn\n0.829039 0.658080 0.287345 Cr\n0.829040 0.170959 0.287345 Cr\n0.341919 0.170960 0.287345 Cr\n0.170959 0.829040 0.787345 Cr\n0.170960 0.341919 0.787345 Cr\n0.658080 0.829039 0.787345 Cr\n0.338422 0.169210 0.900414 O\n0.830790 0.169209 0.900414 O\n0.666667 0.333332 0.399713 O\n0.521386 0.478613 0.154871 O\n0.521387 0.042772 0.154871 O\n0.661577 0.830789 0.400414 O\n0.478612 0.957227 0.654871 O\n0.042772 0.521387 0.654871 O\n0.169209 0.830790 0.400414 O\n0.000000 0.000000 0.193989 O\n0.000000 0.000000 0.693989 O\n0.333332 0.666667 0.899713 O\n0.957227 0.478612 0.154871 O\n0.169210 0.338422 0.400414 O\n0.478613 0.521386 0.654871 O\n0.830789 0.661577 0.900414 O\n",
"nsites": 28,
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],
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"density_atomic": 0.10528256974099344,
"volume": 265.9509553089656,
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"formula_full": "Li4 Mn2 Cr6 O16",
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{
"id": "jvasp-62946",
"created_at": "2022-09-04T14:36:09.666187Z",
"updated_at": "2022-09-04T14:36:09.666214Z",
"structure_string": "U4 Fe4 B16\n1.0\n3.407432 0.000000 0.000000\n0.000000 5.875054 0.000000\n0.000000 0.000000 11.384954\nU Fe B\n4 4 16\ndirect\n0.000000 0.126246 0.849728 U\n0.000000 0.873753 0.150271 U\n0.000000 0.373753 0.349729 U\n0.000000 0.626246 0.650271 U\n0.000000 0.134364 0.589632 Fe\n0.000000 0.865635 0.410368 Fe\n0.000000 0.365636 0.089632 Fe\n0.000000 0.634364 0.910367 Fe\n0.500000 0.525905 0.191116 B\n0.500000 0.474094 0.808884 B\n0.500000 0.887140 0.545698 B\n0.500000 0.112860 0.454301 B\n0.500000 0.612859 0.045699 B\n0.500000 0.387140 0.954301 B\n0.500000 0.863746 0.966355 B\n0.500000 0.782564 0.813484 B\n0.500000 0.636253 0.466355 B\n0.500000 0.363747 0.533644 B\n0.500000 0.025905 0.308884 B\n0.500000 0.217436 0.186516 B\n0.500000 0.717435 0.313484 B\n0.500000 0.282564 0.686515 B\n0.500000 0.136253 0.033645 B\n0.500000 0.974094 0.691115 B\n",
"nsites": 24,
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},
{
"id": "jvasp-96927",
"created_at": "2022-09-04T14:35:42.865466Z",
"updated_at": "2022-09-04T14:35:42.865493Z",
"structure_string": "Fe4 Co2 As4 H20 O28\n1.0\n5.581046 0.000000 -0.361818\n0.000000 9.584870 0.000000\n-0.140685 0.000000 10.305425\nFe Co As H O\n4 2 4 20 28\ndirect\n0.660015 0.864908 0.549196 Fe\n0.839987 0.364908 0.450804 Fe\n0.339986 0.135092 0.450804 Fe\n0.160015 0.635092 0.549196 Fe\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 -0.000000 Co\n0.174641 0.931313 0.710004 As\n0.325360 0.431313 0.289996 As\n0.674642 0.568687 0.710004 As\n0.825360 0.068687 0.289996 As\n0.550370 0.054814 0.877172 H\n0.980362 0.156291 0.583760 H\n0.519640 0.656291 0.416240 H\n0.761326 0.079839 0.783149 H\n0.738676 0.579839 0.216851 H\n0.238676 0.920161 0.216851 H\n0.261326 0.420161 0.783150 H\n0.949632 0.554814 0.122828 H\n0.211238 0.212652 0.132498 H\n0.050370 0.445186 0.877172 H\n0.788764 0.787348 0.867503 H\n0.711238 0.287348 0.132497 H\n0.480362 0.343709 0.583760 H\n0.288763 0.712652 0.867503 H\n0.821294 0.747104 0.021671 H\n0.678708 0.247104 0.978329 H\n0.449631 0.945186 0.122828 H\n0.019639 0.843709 0.416240 H\n0.321293 0.752896 0.021671 H\n0.178708 0.252896 0.978330 H\n0.431935 0.725546 0.467040 O\n0.882568 0.512913 0.603640 O\n0.617434 0.012913 0.396361 O\n0.117433 0.487087 0.396361 O\n0.382568 0.987087 0.603640 O\n0.396663 0.502461 0.653485 O\n0.103338 0.002461 0.346515 O\n0.603338 0.497539 0.346515 O\n0.896664 0.997539 0.653485 O\n0.749241 0.501696 0.861868 O\n0.750760 0.001696 0.138132 O\n0.250760 0.498304 0.138132 O\n0.249241 0.998304 0.861869 O\n0.678612 0.748419 0.715079 O\n0.321390 0.251581 0.284921 O\n0.178612 0.751581 0.715079 O\n0.931935 0.774454 0.467040 O\n0.568067 0.274454 0.532960 O\n0.378274 0.690803 0.953507 O\n0.121727 0.190803 0.046494 O\n0.621727 0.309197 0.046494 O\n0.878275 0.809197 0.953507 O\n0.216027 0.404989 0.874092 O\n0.283974 0.904989 0.125908 O\n0.783975 0.595011 0.125908 O\n0.716027 0.095011 0.874092 O\n0.821390 0.248419 0.284921 O\n0.068066 0.225546 0.532960 O\n",
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"formula_full": "Fe4 Co2 As4 H20 O28",
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},
{
"id": "jvasp-42413",
"created_at": "2022-09-04T14:37:29.189944Z",
"updated_at": "2022-09-04T14:37:29.189962Z",
"structure_string": "Mn8 O14 F2\n1.0\n0.000000 4.335370 -0.021500\n10.826933 0.000000 0.000000\n0.000000 0.006053 -4.855483\nMn O F\n8 14 2\ndirect\n0.016947 0.666674 0.248155 Mn\n0.016947 0.333326 0.748155 Mn\n0.004957 0.817584 0.767048 Mn\n0.004958 0.182416 0.267048 Mn\n0.481943 0.065422 0.739672 Mn\n0.508928 0.427822 0.247447 Mn\n0.508927 0.572178 0.747447 Mn\n0.481943 0.934577 0.239673 Mn\n0.769534 0.689554 0.921242 O\n0.769534 0.310446 0.421242 O\n0.725135 0.058160 0.418495 O\n0.725135 0.941840 0.918494 O\n0.741240 0.557248 0.417580 O\n0.741240 0.442752 0.917580 O\n0.252051 0.058724 0.078135 O\n0.230817 0.192746 0.583991 O\n0.277293 0.555907 0.077209 O\n0.277293 0.444093 0.577208 O\n0.230817 0.807253 0.083992 O\n0.237688 0.690973 0.580718 O\n0.237689 0.309027 0.080718 O\n0.252051 0.941275 0.578135 O\n0.753465 0.808979 0.420302 F\n0.753464 0.191021 0.920302 F\n",
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{
"id": "jvasp-45911",
"created_at": "2022-09-04T14:38:10.897092Z",
"updated_at": "2022-09-04T14:38:10.897115Z",
"structure_string": "Li4 Fe2 Te1 W1 O12\n1.0\n5.002431 -0.002824 -0.002110\n0.000226 5.246881 -0.018991\n0.007384 0.506815 7.233771\nLi Fe Te W O\n4 2 1 1 12\ndirect\n0.994291 0.423141 0.717507 Li\n0.505271 0.932275 0.210386 Li\n0.001828 0.428950 0.210262 Li\n0.498171 0.927466 0.717401 Li\n0.999800 0.000559 0.497745 Fe\n0.499464 0.497244 0.001040 Fe\n0.499289 0.498804 0.499247 Te\n0.000104 0.995864 0.997153 W\n0.311710 0.203678 0.063667 O\n0.168207 0.325551 0.442101 O\n0.806734 0.319289 0.949670 O\n0.366622 0.519791 0.756188 O\n0.634028 0.521821 0.246679 O\n0.884794 0.009952 0.258273 O\n0.812135 0.701181 0.575903 O\n0.682662 0.815473 0.948505 O\n0.120246 0.014922 0.749505 O\n0.697945 0.192294 0.579660 O\n0.197906 0.695859 0.065869 O\n0.318787 0.833497 0.442034 O\n",
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],
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},
{
"id": "jvasp-108721",
"created_at": "2022-09-04T14:38:08.120997Z",
"updated_at": "2022-09-04T14:38:08.121032Z",
"structure_string": "V2 B4 Ru2\n1.0\n2.927313 0.000000 0.000000\n0.000000 4.336905 0.000000\n0.000000 0.000000 5.983651\nV B Ru\n2 4 2\ndirect\n0.499999 0.367201 0.318267 V\n0.499999 0.632800 0.818267 V\n-0.000000 0.644762 0.532452 B\n-0.000000 0.355239 0.032452 B\n0.499999 0.852216 0.471184 B\n0.499999 0.147786 0.971183 B\n-0.000000 0.143546 0.678098 Ru\n-0.000000 0.856455 0.178098 Ru\n",
"nsites": 8,
"nelements": 3,
"elements": [
"V",
"B",
"Ru"
],
"chemical_system": "B-Ru-V",
"density": 7.5909702113171225,
"density_atomic": 0.10531122423568355,
"volume": 75.96531194145294,
"volume_molar": 5.718422517359231,
"formula_full": "V2 B4 Ru2",
"formula_reduced": "VB2Ru",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.333532466666668,
"spacegroup": 26
}
]
}