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{
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"results": [
{
"id": "jvasp-120203",
"created_at": "2022-09-04T14:38:53.778081Z",
"updated_at": "2022-09-04T14:38:53.778117Z",
"structure_string": "Ge1 O3\n1.0\n3.195559 0.112401 -0.332194\n-1.682748 -4.221947 0.017373\n0.848402 -1.213621 -4.131256\nGe O\n1 3\ndirect\n0.014996 0.001673 0.013616 Ge\n0.991350 0.432319 0.463026 O\n0.801672 0.362158 0.826492 O\n-0.097040 0.091019 0.428537 O\n",
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{
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"created_at": "2022-09-04T14:38:42.005465Z",
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"structure_string": "Lu1 Mg2 Mn3 S8\n1.0\n6.386470 0.006376 3.759089\n2.151778 6.012716 3.760101\n0.012071 0.007850 7.412668\nLu Mg Mn S\n1 2 3 8\ndirect\n0.499999 0.500002 0.500000 Lu\n0.875468 0.875473 0.875490 Mg\n0.124531 0.124525 0.124509 Mg\n0.499998 0.499998 0.000001 Mn\n0.000001 0.500000 0.499999 Mn\n0.500003 0.000001 0.500002 Mn\n0.740720 0.740713 0.740889 S\n0.248232 0.248216 0.720209 S\n0.248275 0.720178 0.248331 S\n0.720179 0.248286 0.248350 S\n0.751727 0.279819 0.751668 S\n0.279821 0.751720 0.751648 S\n0.259281 0.259283 0.259113 S\n0.751768 0.751788 0.279790 S\n",
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{
"id": "jvasp-119161",
"created_at": "2022-09-04T14:38:35.955969Z",
"updated_at": "2022-09-04T14:38:35.955997Z",
"structure_string": "Na6 Cd7 S10\n1.0\n12.796324 0.013427 4.089141\n12.112430 4.127361 4.089141\n0.013402 0.002228 10.426370\nNa Cd S\n6 7 10\ndirect\n0.707389 0.707390 0.378045 Na\n0.300507 0.300508 0.583186 Na\n0.119687 0.119688 0.249302 Na\n0.892649 0.892650 0.759240 Na\n0.989534 0.989535 0.184374 Na\n0.002843 0.002843 0.818470 Na\n0.350398 0.350398 0.047293 Cd\n0.751019 0.751021 0.900616 Cd\n0.159851 0.159852 0.711904 Cd\n0.608654 0.608655 0.030792 Cd\n0.445629 0.445630 0.476361 Cd\n0.563071 0.563072 0.520892 Cd\n0.846085 0.846087 0.298199 Cd\n0.909766 0.909767 0.050507 S\n0.535751 0.535752 0.290759 S\n0.471675 0.471676 0.693953 S\n0.886959 0.886960 0.486807 S\n0.122572 0.122573 0.510092 S\n0.683676 0.683677 0.126940 S\n0.314476 0.314477 0.848729 S\n0.287866 0.287866 0.303330 S\n0.720098 0.720100 0.682136 S\n0.081029 0.081030 0.931075 S\n",
"nsites": 23,
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"elements": [
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],
"chemical_system": "Cd-Na-S",
"density": 3.768883703770804,
"density_atomic": 0.041914060217188534,
"volume": 548.7418751802988,
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"formula_full": "Na6 Cd7 S10",
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"formula_anonymous": "A6B7C10",
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"spacegroup": 8
},
{
"id": "jvasp-10995",
"created_at": "2022-09-04T14:36:39.384755Z",
"updated_at": "2022-09-04T14:36:39.384780Z",
"structure_string": "Mg2 Se2 O8\n1.0\n4.947814 0.005498 -0.000000\n-1.903113 4.567171 0.000000\n0.000000 0.000000 6.518990\nMg Se O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.353265 0.646735 0.750000 Se\n0.646735 0.353265 0.250000 Se\n0.225954 0.276336 0.750000 O\n0.774046 0.723664 0.250000 O\n0.276336 0.225954 0.250000 O\n0.723664 0.774046 0.750000 O\n0.245881 0.754119 0.963032 O\n0.754119 0.245881 0.463032 O\n0.754119 0.245881 0.036968 O\n0.245881 0.754119 0.536968 O\n",
"nsites": 12,
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"elements": [
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"O"
],
"chemical_system": "Mg-O-Se",
"density": 3.769085067749963,
"density_atomic": 0.08142152814406213,
"volume": 147.3811690044426,
"volume_molar": 7.39625120931752,
"formula_full": "Mg2 Se2 O8",
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"formula_anonymous": "ABC4",
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"spacegroup": 63
},
{
"id": "jvasp-47778",
"created_at": "2022-09-04T14:36:39.149195Z",
"updated_at": "2022-09-04T14:36:39.149224Z",
"structure_string": "Li2 Ti3 V1 O8\n1.0\n1.646849 -5.674011 -0.009367\n-0.029754 -3.082495 5.039782\n-3.516159 -4.145785 -2.508207\nLi Ti V O\n2 3 1 8\ndirect\n0.000003 0.499992 0.500000 Li\n0.499997 -0.000002 0.499999 Li\n-0.000008 0.499994 0.000006 Ti\n0.499982 0.500018 0.000003 Ti\n0.500017 0.000002 0.999989 Ti\n0.000009 0.999990 0.000000 V\n0.473744 0.261305 0.787487 O\n0.491848 0.759330 0.777912 O\n0.981363 0.269812 0.777930 O\n0.969428 0.758165 0.788707 O\n0.030586 0.241822 0.211290 O\n0.018622 0.730186 0.222086 O\n0.508168 0.240669 0.222073 O\n0.526248 0.738705 0.212512 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Li-O-Ti-V",
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"density_atomic": 0.09445877064477505,
"volume": 148.21281183775818,
"volume_molar": 6.375417252302673,
"formula_full": "Li2 Ti3 V1 O8",
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"formula_anonymous": "AB2C3D8",
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"spacegroup": 12
},
{
"id": "jvasp-10911",
"created_at": "2022-09-04T14:37:11.935441Z",
"updated_at": "2022-09-04T14:37:11.935466Z",
"structure_string": "Ca1 Co2 Si4 O12\n1.0\n5.125269 0.050984 1.083489\n1.281083 6.244114 0.591293\n0.115254 -0.013010 6.400492\nCa Co Si O\n1 2 4 12\ndirect\n0.750000 0.301823 0.698177 Ca\n0.249999 0.083073 0.916927 Co\n0.749999 0.912100 0.087898 Co\n0.279404 0.195548 0.383934 Si\n0.220595 0.616064 0.804451 Si\n0.767187 0.393139 0.201348 Si\n0.732813 0.798651 0.606861 Si\n0.634637 0.970739 0.806560 O\n0.865364 0.193438 0.029259 O\n0.707474 0.624205 0.082907 O\n0.792525 0.917091 0.375794 O\n0.314104 0.372415 0.900209 O\n0.502412 0.654559 0.640160 O\n-0.002413 0.359840 0.345439 O\n0.372346 0.029200 0.185654 O\n0.994928 0.621783 0.661218 O\n0.505070 0.338782 0.378216 O\n0.185895 0.099790 0.627584 O\n0.127653 0.814345 0.970800 O\n",
"nsites": 19,
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"elements": [
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"Co",
"Si",
"O"
],
"chemical_system": "Ca-Co-O-Si",
"density": 3.7691781053851448,
"density_atomic": 0.09329251897574883,
"volume": 203.6604886286649,
"volume_molar": 6.455116472485259,
"formula_full": "Ca1 Co2 Si4 O12",
"formula_reduced": "CaCo2(SiO3)4",
"formula_anonymous": "AB2C4D12",
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"spacegroup": 5
},
{
"id": "jvasp-107808",
"created_at": "2022-09-04T14:36:34.558340Z",
"updated_at": "2022-09-04T14:36:34.558368Z",
"structure_string": "K2 Tl1 As1 Br6\n1.0\n6.970426 -0.000000 4.024377\n2.323475 6.571781 4.024377\n-0.000000 -0.000000 8.048755\nK Tl As Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 As\n0.766396 0.233605 0.233605 Br\n0.233605 0.233605 0.766395 Br\n0.233606 0.766395 0.766395 Br\n0.233606 0.766395 0.233605 Br\n0.766396 0.233605 0.766395 Br\n0.766396 0.766395 0.233605 Br\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.769335429338987,
"density_atomic": 0.027122448216691766,
"volume": 368.69827974621313,
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"formula_full": "K2 Tl1 As1 Br6",
"formula_reduced": "K2TlAsBr6",
"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-108958",
"created_at": "2022-09-04T14:38:28.003139Z",
"updated_at": "2022-09-04T14:38:28.003150Z",
"structure_string": "Ti1 Zn1 F6\n1.0\n4.529659 0.096697 2.976198\n1.655128 4.217548 2.976198\n0.138622 0.096697 5.418150\nTi Zn F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500001 0.500000 Zn\n0.628281 0.893367 0.238989 F\n0.893365 0.238990 0.628281 F\n0.761011 0.371720 0.106634 F\n0.106634 0.761012 0.371719 F\n0.371718 0.106635 0.761011 F\n0.238988 0.628282 0.893366 F\n",
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"volume": 100.11409405202775,
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"formula_full": "Ti1 Zn1 F6",
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"spacegroup": 148
},
{
"id": "jvasp-37638",
"created_at": "2022-09-04T14:38:05.435858Z",
"updated_at": "2022-09-04T14:38:05.435881Z",
"structure_string": "Sr3 Yb1\n1.0\n0.000000 4.578885 4.578885\n4.578885 -0.000000 4.578885\n4.578885 4.578885 0.000000\nYb Sr\n1 3\ndirect\n0.749999 0.749999 0.749999 Yb\n0.000000 0.000000 0.000000 Sr\n0.499999 0.499999 0.499999 Sr\n0.250000 0.250000 0.250000 Sr\n",
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{
"id": "jvasp-109257",
"created_at": "2022-09-04T14:38:18.946327Z",
"updated_at": "2022-09-04T14:38:18.946347Z",
"structure_string": "Rb3 As1 I6\n1.0\n7.618055 -0.000000 4.398286\n2.539352 7.182371 4.398286\n-0.000000 -0.000000 8.796573\nRb As I\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 As\n0.769564 0.230436 0.230436 I\n0.230436 0.230436 0.769564 I\n0.230436 0.769564 0.769564 I\n0.230436 0.769564 0.230437 I\n0.769564 0.230436 0.769564 I\n0.769564 0.769564 0.230437 I\n",
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{
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"created_at": "2022-09-04T14:36:14.361253Z",
"updated_at": "2022-09-04T14:36:14.361278Z",
"structure_string": "Li1 Ru1 F6\n1.0\n-2.493827 -4.319436 0.000000\n2.493827 -4.319436 0.000000\n-0.000000 -2.879624 4.538593\nLi Ru F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ru\n0.894420 0.624467 0.240922 F\n0.624467 0.240193 0.240922 F\n0.240193 0.894420 0.240922 F\n0.105581 0.375534 0.759077 F\n0.375534 0.759808 0.759077 F\n0.759808 0.105581 0.759077 F\n",
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"volume": 97.77877698376764,
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{
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"created_at": "2022-09-04T14:35:51.118861Z",
"updated_at": "2022-09-04T14:35:51.118877Z",
"structure_string": "Mg6 V1 Bi1\n1.0\n6.319726 0.071805 0.000000\n-3.097678 5.508945 0.000000\n0.000000 0.000000 5.100440\nMg V Bi\n6 1 1\ndirect\n0.158276 0.816128 0.250000 Mg\n0.683874 0.341725 0.250000 Mg\n0.663687 0.836315 0.250000 Mg\n0.329087 0.657921 0.750000 Mg\n0.842081 0.170914 0.750000 Mg\n0.829758 0.670244 0.750000 Mg\n0.163246 0.336755 0.250000 V\n0.329996 0.170005 0.750000 Bi\n",
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],
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"density": 3.770244406400811,
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"volume": 178.70642023984186,
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"formula_full": "Mg6 V1 Bi1",
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"spacegroup": 38
}
]
}