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{
"id": "jvasp-101738",
"created_at": "2022-09-04T14:36:45.492259Z",
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"structure_string": "Cd2 Sn1 Ge1 As4\n1.0\n5.575986 0.017812 -4.774104\n-1.169939 5.451896 -4.774104\n-0.014348 -0.017812 7.340537\nCd Sn Ge As\n2 1 1 4\ndirect\n0.250000 0.750001 0.500001 Cd\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000001 Sn\n0.750000 0.250000 0.500001 Ge\n0.105979 0.133883 0.500712 As\n0.633171 0.605268 0.499290 As\n0.394732 0.894022 0.027904 As\n0.866117 0.366829 0.972098 As\n",
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{
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"structure_string": "Cd2 Ga1 Cu1 Te4\n1.0\n5.786796 0.039439 -5.236262\n-1.113631 5.678767 -5.236262\n-0.032231 -0.039439 7.804128\nCd Ga Cu Te\n2 1 1 4\ndirect\n0.750001 0.250000 0.500001 Cd\n0.250000 0.750000 0.500001 Cd\n0.500000 0.500000 0.000001 Ga\n0.000000 0.000000 0.000000 Cu\n0.642018 0.642018 0.509681 Te\n0.357983 0.867664 0.000001 Te\n0.132337 0.132337 0.490320 Te\n0.867664 0.357983 0.000001 Te\n",
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{
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"structure_string": "Tl2 Bi1 Sb1 Te4\n1.0\n4.532570 0.000000 0.000000\n0.000000 7.459808 2.452505\n0.000000 0.020954 8.314513\nTl Bi Sb Te\n2 1 1 4\ndirect\n0.000000 0.500000 0.500000 Tl\n0.500000 -0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 -0.000000 Sb\n0.500000 0.754071 0.224407 Te\n0.000000 0.263808 0.221764 Te\n0.500000 0.245929 0.775592 Te\n0.000000 0.736192 0.778235 Te\n",
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{
"id": "jvasp-9789",
"created_at": "2022-09-04T14:36:46.189291Z",
"updated_at": "2022-09-04T14:36:46.189325Z",
"structure_string": "Na4 Zn2 Ge2 O8\n1.0\n0.000000 5.377056 0.001544\n5.633292 0.000000 0.000000\n0.000000 -5.363630 -7.192734\nNa Zn Ge O\n4 2 2 8\ndirect\n0.511222 0.821263 0.003321 Na\n0.258556 0.320524 0.748163 Na\n0.511222 0.178737 0.503320 Na\n0.258556 0.679476 0.248163 Na\n0.997170 0.185699 0.998098 Zn\n0.997170 0.814300 0.498098 Zn\n0.745563 0.683744 0.750630 Ge\n0.745563 0.316256 0.250630 Ge\n0.390903 0.295526 0.226300 O\n0.390903 0.704474 0.726300 O\n0.676855 0.795545 0.542981 O\n0.676855 0.204454 0.042982 O\n0.037964 0.844604 0.955375 O\n0.855770 0.622126 0.275131 O\n0.855770 0.377873 0.775131 O\n0.037964 0.155396 0.455375 O\n",
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"formula_full": "Na4 Zn2 Ge2 O8",
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{
"id": "jvasp-101147",
"created_at": "2022-09-04T14:36:51.275474Z",
"updated_at": "2022-09-04T14:36:51.275503Z",
"structure_string": "Mn1 Ga1 Cu2 Se4\n1.0\n5.124943 -0.009527 -4.643190\n-1.013784 5.023681 -4.643190\n0.007811 0.009527 6.915503\nMn Ga Cu Se\n1 1 2 4\ndirect\n0.750000 0.250000 0.499999 Mn\n0.500000 0.500000 -0.000000 Ga\n0.250000 0.750000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.124795 0.118936 0.494056 Se\n0.624879 0.630739 0.505943 Se\n0.369261 0.875205 0.994140 Se\n0.881064 0.375120 0.005859 Se\n",
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{
"id": "jvasp-99221",
"created_at": "2022-09-04T14:36:41.110565Z",
"updated_at": "2022-09-04T14:36:41.110586Z",
"structure_string": "Cd4 H8 Se4 O16\n1.0\n12.986013 0.000000 0.000000\n0.000000 5.969852 0.000000\n0.000000 -0.000000 5.042563\nCd H Se O\n4 8 4 16\ndirect\n0.774368 0.250000 0.085226 Cd\n0.274368 0.250000 0.414774 Cd\n0.225632 0.750000 0.914774 Cd\n0.725632 0.750000 0.585225 Cd\n0.891882 0.118179 0.537017 H\n0.391882 0.381821 0.962982 H\n0.108118 0.618179 0.462982 H\n0.608117 0.881821 0.037017 H\n0.108118 0.881821 0.462982 H\n0.608117 0.618179 0.037017 H\n0.891882 0.381821 0.537017 H\n0.391882 0.118179 0.962982 H\n0.086228 0.250000 0.005261 Se\n0.586228 0.250000 0.494738 Se\n0.913772 0.750000 -0.005261 Se\n0.413772 0.750000 0.505261 Se\n0.398453 0.250000 0.082412 O\n0.898453 0.250000 0.417588 O\n0.345189 0.531119 0.661076 O\n0.845189 0.968880 0.838923 O\n0.654811 0.031120 0.338924 O\n0.154811 0.468880 0.161076 O\n0.654811 0.468880 0.338924 O\n0.154811 0.031120 0.161076 O\n0.845189 0.531119 0.838923 O\n0.867695 0.750000 0.306381 O\n0.367695 0.750000 0.193618 O\n0.132305 0.250000 0.693618 O\n0.632305 0.250000 0.806381 O\n0.101547 0.750000 0.582412 O\n0.345189 0.968880 0.661076 O\n0.601547 0.750000 0.917588 O\n",
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"formula_full": "Cd4 H8 Se4 O16",
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{
"id": "jvasp-12574",
"created_at": "2022-09-04T14:36:53.463098Z",
"updated_at": "2022-09-04T14:36:53.463117Z",
"structure_string": "Sr2 Ge2 H4 O8\n1.0\n5.944047 0.023903 -1.827725\n-3.237827 4.984851 -1.827725\n-0.012915 -0.023903 6.218690\nSr Ge H O\n2 2 4 8\ndirect\n0.500000 0.500000 0.000001 Sr\n0.249999 0.750000 0.500001 Sr\n0.000000 0.000000 0.000000 Ge\n0.750000 0.250000 0.500001 Ge\n0.697944 0.625000 0.572945 H\n0.374999 0.947944 0.072945 H\n0.874999 0.302055 0.927056 H\n0.052055 0.125000 0.427056 H\n0.015843 0.929227 0.260567 O\n0.070773 0.331339 0.086617 O\n0.244722 0.984157 0.913384 O\n0.668660 0.755277 0.739434 O\n0.081339 0.320773 0.586617 O\n0.734156 0.494723 0.413384 O\n0.679226 0.265843 0.760567 O\n0.505276 0.918660 0.239434 O\n",
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"volume": 184.2240034178203,
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{
"id": "jvasp-107068",
"created_at": "2022-09-04T14:36:53.915928Z",
"updated_at": "2022-09-04T14:36:53.915937Z",
"structure_string": "Co1 Cu2 Ge1 Se4\n1.0\n5.094779 0.005094 -4.545217\n-1.019128 4.991811 -4.545217\n-0.004154 -0.005094 6.827573\nCo Cu Ge Se\n1 2 1 4\ndirect\n0.500000 0.500000 -0.000001 Co\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750000 0.500000 Cu\n0.750001 0.250000 0.500000 Ge\n0.620883 0.130240 0.990873 Se\n0.869761 0.860633 0.490642 Se\n0.139366 0.630009 0.009126 Se\n0.369992 0.379118 0.509357 Se\n",
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{
"id": "jvasp-107031",
"created_at": "2022-09-04T14:36:56.685344Z",
"updated_at": "2022-09-04T14:36:56.685366Z",
"structure_string": "Sr1 Ca1 Cu2 O4\n1.0\n4.646997 -0.019302 -2.153144\n-1.903621 4.239243 -2.153144\n0.012548 0.019302 5.121567\nSr Ca Cu O\n1 1 2 4\ndirect\n0.500000 0.500000 0.000001 Sr\n0.000000 0.000000 0.000000 Ca\n0.250000 0.749999 0.500001 Cu\n0.750001 0.250000 0.500001 Cu\n0.500000 0.500000 0.500001 O\n0.000000 -0.000000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000001 O\n",
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{
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"structure_string": "Ba2 Co1 Ni1 S4\n1.0\n4.407768 -0.000000 0.000000\n0.000000 4.407768 0.000000\n0.000000 0.000000 8.909288\nBa Co Ni S\n2 1 1 4\ndirect\n0.500000 0.500000 0.198996 Ba\n0.000000 0.000000 0.800160 Ba\n0.500000 0.500000 0.586819 Co\n0.000000 0.000000 0.413845 Ni\n0.500000 0.500000 0.841147 S\n0.000000 0.000000 0.154236 S\n0.500000 0.000000 0.502399 S\n-0.000000 0.500000 0.502399 S\n",
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{
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"created_at": "2022-09-04T14:36:45.458534Z",
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"structure_string": "Cd1 Ag2 Sn1 Se4\n1.0\n4.291149 0.000000 0.000000\n0.000000 7.098830 -0.028998\n0.000000 -0.034872 7.521500\nCd Ag Sn Se\n1 2 1 4\ndirect\n0.000000 0.107648 0.825184 Cd\n0.500000 0.131278 0.325699 Ag\n0.500000 0.646881 0.692032 Ag\n0.000000 0.631370 0.158730 Sn\n0.500000 0.505344 0.341571 Se\n0.000000 0.494033 0.841074 Se\n0.500000 0.009420 0.651542 Se\n0.000000 0.994427 0.164165 Se\n",
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"structure_string": "Li2 Co1 Ni1 O4\n1.0\n4.846799 0.003106 0.888545\n4.010915 2.721035 0.888545\n-0.103624 -0.031869 5.004053\nLi Co Ni O\n2 1 1 4\ndirect\n0.748865 0.748863 0.745572 Li\n0.251137 0.251136 0.254429 Li\n0.500001 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Ni\n0.609598 0.609597 0.139135 O\n0.112586 0.112585 0.616754 O\n0.887417 0.887415 0.383247 O\n0.390404 0.390402 0.860866 O\n",
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