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{
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"results": [
{
"id": "jvasp-48003",
"created_at": "2022-09-04T14:35:45.504509Z",
"updated_at": "2022-09-04T14:35:45.504536Z",
"structure_string": "Mn6 O10 F2\n1.0\n5.337167 -0.007901 0.036343\n1.474180 5.162892 0.010604\n2.051783 1.461057 6.419030\nMn O F\n6 10 2\ndirect\n0.348828 0.333324 0.159425 Mn\n0.642902 0.695058 0.332661 Mn\n0.357098 0.304943 0.667338 Mn\n0.651172 0.666677 0.840574 Mn\n-0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.694119 0.306949 0.997839 O\n0.305881 0.693052 0.002160 O\n0.642852 0.018221 0.670085 O\n0.566485 0.561176 0.629714 O\n0.233563 0.231968 0.963700 O\n0.433515 0.438825 0.370285 O\n0.766438 0.768033 0.036299 O\n0.109422 0.089671 0.704118 O\n0.357149 0.981779 0.329914 O\n0.890578 0.910330 0.295881 O\n0.035211 0.603580 0.676891 F\n0.964789 0.396420 0.323108 F\n",
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{
"id": "jvasp-29801",
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"updated_at": "2022-09-04T14:37:29.069579Z",
"structure_string": "Te2 H4 O8\n1.0\n5.284627 0.000000 -2.689460\n0.000000 4.914617 0.000000\n0.016334 0.000000 5.279042\nTe H O\n2 4 8\ndirect\n-0.000000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.398089 0.259016 0.806912 H\n0.601910 0.759017 0.693087 H\n0.601911 0.740984 0.193087 H\n0.398089 0.240984 0.306912 H\n0.341284 0.362290 0.626205 O\n0.658715 0.862290 0.873794 O\n0.658716 0.637711 0.373795 O\n0.341284 0.137710 0.126205 O\n0.883606 0.182805 0.634526 O\n0.116393 0.682806 0.865473 O\n0.116393 0.817195 0.365473 O\n0.883607 0.317195 0.134527 O\n",
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"volume": 137.32274167492437,
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"formula_full": "Te2 H4 O8",
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"formula_anonymous": "AB2C4",
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{
"id": "jvasp-20620",
"created_at": "2022-09-04T14:38:11.415034Z",
"updated_at": "2022-09-04T14:38:11.415056Z",
"structure_string": "Y1 B6\n1.0\n4.094823 -0.000000 0.000000\n0.000000 4.094823 -0.000000\n0.000000 -0.000000 4.094823\nY B\n1 6\ndirect\n0.000000 0.000000 0.000000 Y\n0.801231 0.500000 0.500000 B\n0.198768 0.500000 0.500000 B\n0.500000 0.500000 0.801231 B\n0.500000 0.500000 0.198768 B\n0.500000 0.198768 0.500000 B\n0.500000 0.801231 0.500000 B\n",
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"volume": 68.6602534075962,
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},
{
"id": "jvasp-69713",
"created_at": "2022-09-04T14:36:12.893827Z",
"updated_at": "2022-09-04T14:36:12.893837Z",
"structure_string": "Be2 Si1 Ni1\n1.0\n-1.698333 1.698333 3.400330\n1.698333 -1.698333 3.400330\n1.698333 1.698333 -3.400330\nBe Si Ni\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.749999 0.250000 0.499999 Si\n0.500000 0.500000 0.000000 Ni\n",
"nsites": 4,
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"elements": [
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],
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"density": 4.436057336525775,
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"volume": 39.23076303506254,
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"formula_full": "Be2 Si1 Ni1",
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},
{
"id": "jvasp-8253",
"created_at": "2022-09-04T14:37:05.236408Z",
"updated_at": "2022-09-04T14:37:05.236435Z",
"structure_string": "Co2 O4\n1.0\n2.788154 -0.000917 0.449545\n-1.357979 -2.434293 -0.454150\n-1.403412 -0.808674 -8.972308\nCo O\n2 4\ndirect\n-0.001265 0.997525 0.497888 Co\n0.000740 0.998031 -0.002043 Co\n0.404159 0.592027 0.606466 O\n0.262003 0.736865 0.889391 O\n0.593325 0.403027 0.389315 O\n0.739469 0.259192 0.106525 O\n",
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},
{
"id": "jvasp-85720",
"created_at": "2022-09-04T14:35:41.420240Z",
"updated_at": "2022-09-04T14:35:41.420263Z",
"structure_string": "Mn6 O12\n1.0\n0.000020 2.871420 0.000003\n0.151111 -0.000177 8.848269\n6.948717 -1.435826 0.059830\nMn O\n6 12\ndirect\n0.342747 0.257096 0.679816 Mn\n0.342612 0.757065 0.679797 Mn\n0.661805 0.244651 0.317916 Mn\n0.661671 0.744659 0.317890 Mn\n0.002219 0.000867 0.998845 Mn\n0.002224 0.500864 0.998864 Mn\n0.226861 0.642443 0.448268 O\n0.227008 0.142445 0.448313 O\n0.896513 0.644183 0.787573 O\n0.896645 0.144239 0.787620 O\n0.107782 0.857520 0.210093 O\n0.444718 0.396513 0.883842 O\n0.444664 0.896538 0.883775 O\n0.777550 0.359305 0.549422 O\n0.559723 0.605215 0.113889 O\n0.559768 0.105188 0.113926 O\n0.107898 0.357520 0.210124 O\n0.777419 0.859284 0.549416 O\n",
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"density": 4.906906723978722,
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"volume": 176.52101688910142,
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"formula_full": "Mn6 O12",
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"formula_anonymous": "AB2",
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"spacegroup": 12
},
{
"id": "jvasp-57336",
"created_at": "2022-09-04T14:37:41.738700Z",
"updated_at": "2022-09-04T14:37:41.738729Z",
"structure_string": "Li4 Mn4 Ni2 O12\n1.0\n4.983752 0.000000 0.000000\n-2.491877 4.322427 -0.000000\n-0.000000 -0.000000 10.015123\nLi Mn Ni O\n4 4 2 12\ndirect\n0.168251 0.500000 0.250000 Li\n0.831748 0.500000 0.750000 Li\n0.331748 0.500000 0.750000 Li\n0.668251 0.500000 0.250000 Li\n0.162474 0.324949 0.500000 Mn\n0.837525 0.675052 0.500000 Mn\n0.662474 0.324949 0.000000 Mn\n0.337525 0.675052 0.000000 Mn\n0.500000 -0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.995799 0.642056 0.105662 O\n0.004200 0.357944 0.894337 O\n0.345839 -0.000000 0.900141 O\n0.845839 -0.000000 0.599859 O\n0.353744 0.357944 0.105662 O\n0.154161 -0.000000 0.400141 O\n0.853743 0.357944 0.394337 O\n0.504200 0.357944 0.605662 O\n0.654160 -0.000000 0.099859 O\n0.495799 0.642056 0.394337 O\n0.646256 0.642056 0.894337 O\n0.146256 0.642056 0.605662 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 4.286300813718688,
"density_atomic": 0.1019723206870789,
"volume": 215.74482027834893,
"volume_molar": 5.905662163441452,
"formula_full": "Li4 Mn4 Ni2 O12",
"formula_reduced": "Li2Mn2NiO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.62788071661442,
"spacegroup": 64
},
{
"id": "jvasp-112726",
"created_at": "2022-09-04T14:38:41.946661Z",
"updated_at": "2022-09-04T14:38:41.946684Z",
"structure_string": "Mn8 Ir2 N8\n1.0\n5.196009 -0.026889 2.120587\n2.214870 4.378905 2.938358\n0.009296 0.024164 7.752843\nMn Ir N\n8 2 8\ndirect\n0.737786 0.582830 0.224801 Mn\n0.262216 0.417168 0.775200 Mn\n0.694349 0.204073 0.018428 Mn\n0.305653 0.795925 0.981572 Mn\n0.754655 0.515222 0.579730 Mn\n0.245347 0.484776 0.420270 Mn\n0.287381 0.950865 0.591507 Mn\n0.712621 0.049133 0.408494 Mn\n0.208387 0.060305 0.220789 Ir\n0.791615 0.939693 0.779212 Ir\n0.953334 0.665757 0.609582 N\n0.046668 0.334241 0.390419 N\n0.940058 0.800338 0.024255 N\n0.059944 0.199659 0.975746 N\n0.471192 0.559914 0.807323 N\n0.528810 0.440084 0.192678 N\n0.560282 0.866832 0.361425 N\n0.439720 0.133166 0.638575 N\n",
"nsites": 18,
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"elements": [
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],
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"density": 8.805040396317537,
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"volume": 176.51835149484685,
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"formula_full": "Mn8 Ir2 N8",
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"spacegroup": 2
},
{
"id": "jvasp-52389",
"created_at": "2022-09-04T14:36:04.314766Z",
"updated_at": "2022-09-04T14:36:04.314789Z",
"structure_string": "Mn6 O12\n1.0\n2.871446 -0.000053 0.000344\n-1.435655 6.949656 -0.036787\n-0.001455 -0.178923 8.846535\nMn O\n6 12\ndirect\n0.342693 0.679798 0.742974 Mn\n0.342683 0.679799 0.242975 Mn\n0.661745 0.317913 0.755293 Mn\n0.661734 0.317914 0.255293 Mn\n0.002216 0.998858 0.999136 Mn\n0.002217 0.998857 0.499134 Mn\n0.226906 0.448211 0.357558 O\n0.226918 0.448213 0.857558 O\n0.896544 0.787492 0.355905 O\n0.896554 0.787496 0.855903 O\n0.107878 0.210220 0.142361 O\n0.444759 0.883911 0.603575 O\n0.444758 0.883911 0.103575 O\n0.777520 0.549498 0.640710 O\n0.559668 0.113793 0.394686 O\n0.559673 0.113799 0.894692 O\n0.107885 0.210216 0.642364 O\n0.777510 0.549501 0.140710 O\n",
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"formula_full": "Mn6 O12",
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},
{
"id": "jvasp-52194",
"created_at": "2022-09-04T14:38:35.473444Z",
"updated_at": "2022-09-04T14:38:35.473476Z",
"structure_string": "Li3 Ti4 O8\n1.0\n5.901984 0.001968 0.000288\n2.949337 5.112168 0.000370\n2.950263 1.704386 4.876418\nLi Ti O\n3 4 8\ndirect\n-0.000000 0.000000 0.500000 Li\n0.499999 0.500001 0.500000 Li\n-0.000000 0.500001 0.500000 Li\n0.500000 0.500000 0.000000 Ti\n0.499999 0.000000 0.500000 Ti\n0.499999 0.000000 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.262088 0.223611 0.752205 O\n0.254722 0.754734 0.235824 O\n0.737893 0.237906 0.247814 O\n0.723608 0.762089 0.752194 O\n0.276390 0.237912 0.247807 O\n0.262105 0.762095 0.752187 O\n0.745276 0.245267 0.764177 O\n0.737911 0.776390 0.247796 O\n",
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"formula_full": "Li3 Ti4 O8",
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"spacegroup": 166
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{
"id": "jvasp-10191",
"created_at": "2022-09-04T14:37:04.392893Z",
"updated_at": "2022-09-04T14:37:04.392918Z",
"structure_string": "Li6 Te1 O6\n1.0\n5.048219 0.008027 -0.984431\n-1.196435 4.904399 -0.984431\n0.006294 0.008027 5.143305\nLi Te O\n6 1 6\ndirect\n0.696835 0.917064 0.402557 Li\n0.597444 0.303166 0.082937 Li\n0.082937 0.597444 0.303165 Li\n0.303165 0.082937 0.597443 Li\n0.402557 0.696835 0.917063 Li\n0.917064 0.402558 0.696834 Li\n0.000000 0.000000 0.000000 Te\n0.773500 0.680606 0.068647 O\n0.931353 0.226501 0.319394 O\n0.319395 0.931353 0.226501 O\n0.226500 0.319395 0.931352 O\n0.068647 0.773500 0.680605 O\n0.680606 0.068648 0.773499 O\n",
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"spacegroup": 148
},
{
"id": "jvasp-26047",
"created_at": "2022-09-04T14:37:07.389636Z",
"updated_at": "2022-09-04T14:37:07.389655Z",
"structure_string": "Co21 Re2 B6\n1.0\n6.392145 0.000000 3.690507\n2.130715 6.026573 3.690507\n0.000000 0.000000 7.381015\nCo Re B\n21 2 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.661551 -0.000000 0.000001 Co\n-0.000000 -0.000000 0.661552 Co\n0.661551 -0.000000 0.338449 Co\n-0.000000 0.661551 0.000001 Co\n0.661551 0.338449 0.000001 Co\n0.338448 -0.000000 0.661552 Co\n-0.000000 0.661551 0.338450 Co\n-0.000000 0.338449 0.661552 Co\n0.338448 0.661551 0.000001 Co\n-0.000000 0.338449 0.000000 Co\n0.338448 -0.000000 0.000000 Co\n0.381198 0.381198 0.381199 Co\n-0.000000 -0.000000 0.338449 Co\n0.143595 0.618801 0.618803 Co\n0.618801 0.143595 0.618803 Co\n0.618801 0.618801 0.143597 Co\n0.381198 0.856404 0.381200 Co\n0.381198 0.381198 0.856406 Co\n0.618801 0.618801 0.618803 Co\n0.856404 0.381198 0.381200 Co\n0.250000 0.250000 0.250001 Re\n0.749999 0.750000 0.750002 Re\n0.275837 0.724162 0.275839 B\n0.724162 0.275837 0.275838 B\n0.724162 0.724162 0.275839 B\n0.275837 0.275837 0.724163 B\n0.724162 0.275837 0.724164 B\n0.275837 0.724162 0.724164 B\n",
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],
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"formula_full": "Co21 Re2 B6",
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}
]
}