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"results": [
{
"id": "jvasp-116856",
"created_at": "2022-09-04T14:38:49.921689Z",
"updated_at": "2022-09-04T14:38:49.921710Z",
"structure_string": "Li6 Mn3 V3 O12\n1.0\n4.872500 -0.001871 -1.530276\n-0.105468 5.841632 -0.871363\n0.015254 -0.007326 7.542456\nLi Mn V O\n6 3 3 12\ndirect\n0.002639 0.589065 0.839098 Li\n0.004588 0.758476 0.509370 Li\n-0.005175 0.084461 0.827326 Li\n0.997360 0.410934 0.160902 Li\n0.005174 0.915538 0.172675 Li\n0.995411 0.241523 0.490630 Li\n0.489647 0.321647 0.837686 Mn\n0.510352 0.678352 0.162314 Mn\n0.499999 0.500000 0.500000 Mn\n0.489047 0.157477 0.157005 V\n0.500000 -0.000000 0.500000 V\n0.510952 0.842522 0.842995 V\n0.285779 0.551897 0.680719 O\n0.738062 0.120538 0.995327 O\n0.749305 0.635572 0.008201 O\n0.741644 0.967705 0.341624 O\n0.714220 0.448102 0.319281 O\n0.743728 0.803064 0.671676 O\n0.712700 0.282468 0.657254 O\n0.250694 0.364427 0.991799 O\n0.261936 0.879461 0.004673 O\n0.287298 0.717531 0.342746 O\n0.256270 0.196935 0.328325 O\n0.258355 0.032294 0.658376 O\n",
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{
"id": "jvasp-56898",
"created_at": "2022-09-04T14:36:45.920876Z",
"updated_at": "2022-09-04T14:36:45.920897Z",
"structure_string": "Co2 C2 N4\n1.0\n1.495860 -2.590906 0.000000\n1.495860 2.590906 0.000000\n-0.000000 -0.000000 9.235581\nCo C N\n2 2 4\ndirect\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.333333 0.666667 0.250000 C\n0.666667 0.333333 0.750000 C\n0.666667 0.333333 0.615712 N\n0.333333 0.666667 0.384288 N\n0.666667 0.333333 0.884288 N\n0.333333 0.666667 0.115712 N\n",
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],
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"formula_full": "Co2 C2 N4",
"formula_reduced": "CoCN2",
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"spacegroup": 194
},
{
"id": "jvasp-106125",
"created_at": "2022-09-04T14:36:17.228676Z",
"updated_at": "2022-09-04T14:36:17.228702Z",
"structure_string": "Be4 Si1 Ni1\n1.0\n3.667144 -0.000000 2.117226\n1.222381 3.457417 2.117226\n-0.000000 -0.000000 4.234453\nBe Si Ni\n4 1 1\ndirect\n0.624427 0.624429 0.126715 Be\n0.624428 0.126714 0.624429 Be\n0.126713 0.624429 0.624429 Be\n0.624427 0.624429 0.624429 Be\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Ni\n",
"nsites": 6,
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"elements": [
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"Si",
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],
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"density": 3.7989897218555115,
"density_atomic": 0.11175686397874576,
"volume": 53.68797751108242,
"volume_molar": 5.388609294857547,
"formula_full": "Be4 Si1 Ni1",
"formula_reduced": "Be4SiNi",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-45931",
"created_at": "2022-09-04T14:38:09.363732Z",
"updated_at": "2022-09-04T14:38:09.363765Z",
"structure_string": "Li3 Ti1 Co3 O8\n1.0\n5.091197 1.503203 -2.403774\n1.605541 -5.437805 0.000000\n1.605541 -2.481880 -4.838388\nLi Ti Co O\n3 1 3 8\ndirect\n0.500000 0.000001 -0.000001 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ti\n-0.000000 -0.000000 0.500000 Co\n-0.000000 0.500000 0.000000 Co\n-0.000000 0.499999 0.500000 Co\n0.221895 0.241535 0.019640 O\n0.221894 0.241534 0.516930 O\n0.221895 0.738825 0.019640 O\n0.209609 0.736536 0.526928 O\n0.790391 0.263464 0.473072 O\n0.778106 0.261175 0.980360 O\n0.778106 0.758465 0.483070 O\n0.778106 0.758465 0.980360 O\n",
"nsites": 15,
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"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Li-O-Ti",
"density": 4.62067777814689,
"density_atomic": 0.1117570505431198,
"volume": 134.21971971435013,
"volume_molar": 5.388600299250424,
"formula_full": "Li3 Ti1 Co3 O8",
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"formula_anonymous": "AB3C3D8",
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},
{
"id": "jvasp-36271",
"created_at": "2022-09-04T14:38:01.989420Z",
"updated_at": "2022-09-04T14:38:01.989453Z",
"structure_string": "Cu1 N1\n1.0\n2.615665 0.000000 0.000000\n0.000000 2.615665 -0.000000\n-0.000000 -0.000000 2.615665\nCu N\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.499999 0.499999 0.499999 N\n",
"nsites": 2,
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"elements": [
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],
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},
{
"id": "jvasp-8328",
"created_at": "2022-09-04T14:37:01.290076Z",
"updated_at": "2022-09-04T14:37:01.290097Z",
"structure_string": "Cu1 N1\n1.0\n2.615646 -0.000000 0.000000\n0.000000 2.615646 0.000000\n0.000000 0.000000 2.615646\nCu N\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500001 0.500001 0.500001 N\n",
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},
{
"id": "jvasp-79665",
"created_at": "2022-09-04T14:37:17.588451Z",
"updated_at": "2022-09-04T14:37:17.588481Z",
"structure_string": "Mg1 Mn1 O2\n1.0\n1.286843 -2.502737 0.832806\n-1.525940 -2.497018 -0.004657\n1.280599 -2.489328 -4.260800\nMg Mn O\n1 1 2\ndirect\n0.500000 0.500005 0.499999 Mg\n0.000001 0.000004 0.999999 Mn\n0.250598 0.248897 0.251615 O\n0.749403 0.751112 0.748384 O\n",
"nsites": 4,
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],
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"volume": 35.78973098769101,
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"formula_full": "Mg1 Mn1 O2",
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"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-108140",
"created_at": "2022-09-04T14:38:28.656729Z",
"updated_at": "2022-09-04T14:38:28.656750Z",
"structure_string": "Cr6 C3 N1\n1.0\n4.825331 -0.003350 0.000000\n-4.023767 2.663293 0.000000\n-0.000000 -0.000000 6.969379\nCr C N\n6 3 1\ndirect\n0.596963 0.403036 -0.000000 Cr\n0.389050 0.610948 0.500000 Cr\n0.863228 0.136772 0.169197 Cr\n0.147885 0.852113 0.315784 Cr\n0.863228 0.136772 0.830803 Cr\n0.147885 0.852113 0.684217 Cr\n0.502074 0.497924 0.257279 C\n0.502074 0.497924 0.742721 C\n0.244269 0.755729 -0.000000 C\n0.743336 0.256663 0.500000 N\n",
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],
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"density": 6.718800893312778,
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"volume": 89.47142860106791,
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"formula_full": "Cr6 C3 N1",
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"formula_anonymous": "AB3C6",
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"spacegroup": 38
},
{
"id": "jvasp-51374",
"created_at": "2022-09-04T14:36:59.804217Z",
"updated_at": "2022-09-04T14:36:59.804245Z",
"structure_string": "Na2 H6 Pt1 O6\n1.0\n2.919108 -5.056043 -0.000000\n2.919108 5.056043 0.000000\n0.000000 -0.000000 4.545928\nNa H Pt O\n2 6 1 6\ndirect\n0.666667 0.333334 0.054149 Na\n0.333333 0.666667 0.945851 Na\n0.667315 0.813644 0.411761 H\n0.186357 0.853672 0.411761 H\n0.146329 0.332685 0.411761 H\n0.332685 0.186357 0.588239 H\n0.813644 0.146329 0.588239 H\n0.853672 0.667315 0.588239 H\n0.000000 0.000000 0.000000 Pt\n0.698770 0.718523 0.250111 O\n0.281478 0.980246 0.250111 O\n0.019754 0.301231 0.250111 O\n0.301231 0.281477 0.749890 O\n0.718523 0.019754 0.749890 O\n0.980247 0.698770 0.749890 O\n",
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],
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"density": 4.245862618281867,
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"volume": 134.1879352836812,
"volume_molar": 5.38732423048066,
"formula_full": "Na2 H6 Pt1 O6",
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},
{
"id": "jvasp-31181",
"created_at": "2022-09-04T14:38:32.093391Z",
"updated_at": "2022-09-04T14:38:32.093419Z",
"structure_string": "Li6 Ru2 O8\n1.0\n0.000000 5.077235 -0.013249\n5.877674 0.000000 0.000000\n0.000000 -1.748233 -4.791672\nLi Ru O\n6 2 8\ndirect\n0.750001 0.865775 0.500000 Li\n0.750001 0.395549 0.500000 Li\n0.750001 0.619614 0.000000 Li\n0.250000 0.604450 0.500000 Li\n0.250000 0.134224 0.500000 Li\n0.250000 0.380385 0.000000 Li\n0.250000 0.856973 0.000000 Ru\n0.750001 0.143027 0.000000 Ru\n0.002861 0.886721 0.228722 O\n0.502861 0.113279 0.228722 O\n0.517007 0.362344 0.757248 O\n0.982995 0.362344 0.242752 O\n0.017006 0.637656 0.757248 O\n0.482995 0.637656 0.242752 O\n0.497140 0.886721 0.771278 O\n0.997141 0.113279 0.771278 O\n",
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"volume": 143.13080806233464,
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"formula_full": "Li6 Ru2 O8",
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"spacegroup": 13
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{
"id": "jvasp-98438",
"created_at": "2022-09-04T14:35:43.944763Z",
"updated_at": "2022-09-04T14:35:43.944788Z",
"structure_string": "P4 H20 N8 O16\n1.0\n5.678166 0.000000 0.000000\n0.000000 7.426346 0.000000\n0.000000 0.000000 10.181809\nP H N O\n4 20 8 16\ndirect\n0.950107 0.688393 0.331797 P\n0.549894 0.311607 0.831797 P\n0.450107 0.811607 0.668203 P\n0.049894 0.188393 0.168203 P\n0.190527 0.647727 0.988230 H\n0.809474 0.147727 0.511770 H\n0.690527 0.852274 0.011770 H\n0.555042 0.468219 0.432877 H\n0.944959 0.531781 0.932877 H\n0.055042 0.031781 0.567123 H\n0.444959 0.968219 0.067123 H\n0.341790 0.398867 0.325891 H\n0.158211 0.601134 0.825891 H\n0.309474 0.352274 0.488230 H\n0.658211 0.898867 0.174109 H\n0.449303 0.094599 0.411057 H\n0.050698 0.905402 0.911057 H\n0.949303 0.405401 0.588943 H\n0.550698 0.594599 0.088943 H\n0.640318 0.199884 0.305275 H\n0.859683 0.800116 0.805275 H\n0.140318 0.300116 0.694725 H\n0.359682 0.699885 0.194725 H\n0.841790 0.101134 0.674109 H\n0.433065 0.366699 0.411702 N\n0.933066 0.133301 0.588298 N\n0.566935 0.866700 0.088298 N\n0.066935 0.633301 0.911702 N\n0.938078 0.798687 0.897161 N\n0.061923 0.298687 0.602839 N\n0.438077 0.701314 0.102839 N\n0.561923 0.201314 0.397161 N\n0.658521 0.448380 0.926759 O\n0.841480 0.551620 0.426759 O\n0.087132 0.124057 0.313056 O\n0.412869 0.875943 0.813057 O\n0.587132 0.375943 0.686944 O\n0.912869 0.624058 0.186944 O\n0.191402 0.367089 0.160237 O\n0.691402 0.132911 0.839764 O\n0.808599 0.867089 0.339763 O\n0.784344 0.208710 0.146462 O\n0.715657 0.791290 0.646462 O\n0.284344 0.291290 0.853538 O\n0.215657 0.708710 0.353538 O\n0.341479 0.948381 0.573241 O\n0.308598 0.632912 0.660237 O\n0.158521 0.051620 0.073241 O\n",
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"formula_full": "P4 H20 N8 O16",
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},
{
"id": "jvasp-43678",
"created_at": "2022-09-04T14:38:03.740500Z",
"updated_at": "2022-09-04T14:38:03.740526Z",
"structure_string": "Li8 Ni2 B4 O12\n1.0\n3.201987 0.000000 0.000000\n0.000000 7.826958 0.000000\n0.000000 0.000000 9.279430\nLi Ni B O\n8 2 4 12\ndirect\n0.500001 0.831114 0.941993 Li\n0.000000 -0.000001 0.792534 Li\n0.500001 0.499999 0.707466 Li\n0.000000 0.331114 0.558007 Li\n0.000000 0.668886 0.441993 Li\n0.500001 0.500001 0.292534 Li\n0.000000 0.000001 0.207466 Li\n0.500001 0.168886 0.058007 Li\n0.000000 0.500000 0.000000 Ni\n0.500001 0.000000 0.500000 Ni\n0.500001 0.762357 0.197089 B\n0.000000 0.262356 0.302911 B\n0.500001 0.237644 0.802911 B\n0.000000 0.737644 0.697089 B\n0.000000 0.247405 0.154080 O\n0.500001 0.388782 0.888338 O\n0.000000 0.752595 0.845920 O\n0.500001 0.082413 0.868247 O\n0.000000 0.582413 0.631752 O\n0.500001 0.252595 0.654080 O\n0.000000 0.888782 0.611662 O\n0.000000 0.111218 0.388338 O\n0.500001 0.747405 0.345920 O\n0.000000 0.417587 0.368248 O\n0.500001 0.917587 0.131752 O\n0.500001 0.611218 0.111662 O\n",
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],
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"formula_full": "Li8 Ni2 B4 O12",
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}
]
}