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{
"id": "jvasp-8120",
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"updated_at": "2022-09-04T14:37:00.313412Z",
"structure_string": "Ca2 Zn2 S2 O2\n1.0\n1.881124 -3.258203 -0.000000\n1.881124 3.258203 0.000000\n0.000000 -0.000000 11.424227\nCa Zn S O\n2 2 2 2\ndirect\n0.333332 0.666666 0.729607 Ca\n0.666666 0.333332 0.229607 Ca\n0.000000 0.000000 0.499443 Zn\n0.000000 0.000000 0.999444 Zn\n0.666666 0.333332 0.915634 S\n0.333332 0.666666 0.415634 S\n0.000000 0.000000 0.167625 O\n0.000000 0.000000 0.667625 O\n",
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{
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"structure_string": "Ca2 Zn2 Si2\n1.0\n2.116497 -3.665882 -0.000000\n2.116497 3.665882 0.000000\n-0.000000 0.000000 8.208338\nCa Zn Si\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.333334 0.666668 0.250000 Zn\n0.666668 0.333334 0.750000 Zn\n0.666668 0.333334 0.250000 Si\n0.333334 0.666668 0.750000 Si\n",
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{
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"structure_string": "Ca2 Zn2 Si2 H4 O10\n1.0\n2.504434 7.979290 -0.592295\n-2.504434 7.979290 0.592295\n-0.002108 0.000000 5.454666\nCa Zn Si H O\n2 2 2 4 10\ndirect\n0.783907 0.072633 0.145122 Ca\n0.927366 0.216093 0.645123 Ca\n0.755936 0.743556 0.504837 Zn\n0.256445 0.244064 0.004836 Zn\n0.654287 0.620801 0.024226 Si\n0.379199 0.345713 0.524227 Si\n0.339936 0.686571 0.398705 H\n0.313429 0.660064 0.898706 H\n0.233813 0.934189 0.222720 H\n0.065811 0.766187 0.722720 H\n0.563091 0.347821 0.448299 O\n0.188568 0.896684 0.360282 O\n0.103316 0.811432 0.860282 O\n0.043961 0.669701 0.458182 O\n0.330299 0.956039 0.958182 O\n0.849519 0.565975 0.853505 O\n0.434025 0.150481 0.353505 O\n0.793255 0.523145 0.324126 O\n0.476855 0.206745 0.824126 O\n0.652179 0.436909 0.948300 O\n",
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],
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"density_atomic": 0.09174822931994395,
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"formula_full": "Ca2 Zn2 Si2 H4 O10",
"formula_reduced": "CaZnSiH2O5",
"formula_anonymous": "ABCD2E5",
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"spacegroup": 9
},
{
"id": "jvasp-111627",
"created_at": "2022-09-04T14:38:40.650589Z",
"updated_at": "2022-09-04T14:38:40.650623Z",
"structure_string": "Ca2 Zn2 Si2 O10\n1.0\n8.417950 -0.019598 0.572174\n-7.005056 4.668130 0.572174\n-0.011802 -0.038828 5.414475\nCa Zn Si O\n2 2 2 10\ndirect\n0.225511 0.083976 0.112755 Ca\n0.083976 0.225511 0.612755 Ca\n0.768817 0.269285 0.992445 Zn\n0.269285 0.768818 0.492445 Zn\n0.650895 0.376216 0.508187 Si\n0.376216 0.650896 0.008186 Si\n0.787872 0.836387 0.365883 O\n0.836387 0.787872 0.865883 O\n0.702999 0.992231 0.922337 O\n0.992231 0.702999 0.422337 O\n0.597137 0.179209 0.339378 O\n0.179209 0.597137 0.839378 O\n0.549997 0.232902 0.807729 O\n0.232902 0.549998 0.307729 O\n0.441465 0.347094 0.435286 O\n0.347094 0.441465 0.935286 O\n",
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"density": 3.339385751151804,
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"volume": 212.39864131414458,
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"formula_full": "Ca2 Zn2 Si2 O10",
"formula_reduced": "CaZnSiO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 9
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{
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"created_at": "2022-09-04T14:38:15.990276Z",
"updated_at": "2022-09-04T14:38:15.990305Z",
"structure_string": "Ca2 Zn2 Si4 O12\n1.0\n5.188176 -0.008054 1.054569\n1.237006 6.544896 0.614301\n-0.007874 0.027170 6.688977\nCa Zn Si O\n2 2 4 12\ndirect\n0.250001 0.699909 0.300092 Ca\n0.750001 0.300093 0.699908 Ca\n0.250001 0.094268 0.905732 Zn\n0.750001 0.905733 0.094268 Zn\n0.770681 0.379988 0.193308 Si\n0.729321 0.806693 0.620013 Si\n0.229321 0.620013 0.806692 Si\n0.270681 0.193308 0.379987 Si\n0.355520 0.026532 0.206815 O\n0.144481 0.793186 0.973468 O\n0.509226 0.329224 0.371692 O\n0.673498 0.610534 0.111169 O\n0.826504 0.888832 0.389467 O\n0.326504 0.389467 0.888831 O\n0.173498 0.111169 0.610533 O\n0.009226 0.371692 0.329224 O\n0.490776 0.670777 0.628308 O\n0.990776 0.628309 0.670777 O\n0.855521 0.206815 0.026532 O\n0.644482 0.973469 0.793185 O\n",
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{
"id": "jvasp-93753",
"created_at": "2022-09-04T14:36:11.741155Z",
"updated_at": "2022-09-04T14:36:11.741192Z",
"structure_string": "Ca2 Zn2 Sn2\n1.0\n-2.302025 -3.987403 0.000000\n-2.302025 3.987403 -0.000000\n0.000000 -0.000000 -8.104159\nCa Zn Sn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.666680 0.333322 0.250000 Zn\n0.333322 0.666680 0.750000 Zn\n0.666666 0.333336 0.750000 Sn\n0.333336 0.666666 0.250000 Sn\n",
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"spacegroup": 194
},
{
"id": "jvasp-18818",
"created_at": "2022-09-04T14:36:35.791983Z",
"updated_at": "2022-09-04T14:36:35.791993Z",
"structure_string": "Ca2 Zn2 Sn2\n1.0\n2.337434 -4.048553 -0.000000\n2.337434 4.048553 -0.000000\n0.000000 0.000000 7.560470\nCa Zn Sn\n2 2 2\ndirect\n0.000000 0.000000 0.755287 Ca\n0.000000 0.000000 0.255287 Ca\n0.333332 0.666666 0.943004 Zn\n0.666666 0.333332 0.443004 Zn\n0.333332 0.666666 0.535909 Sn\n0.666666 0.333332 0.035909 Sn\n",
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"spacegroup": 186
},
{
"id": "jvasp-110609",
"created_at": "2022-09-04T14:38:38.894629Z",
"updated_at": "2022-09-04T14:38:38.894641Z",
"structure_string": "Ca2 Zn3 Ag1\n1.0\n4.481469 0.038442 3.624106\n2.094267 3.962208 3.624106\n0.005712 0.003475 7.318939\nCa Zn Ag\n2 3 1\ndirect\n0.547721 0.547720 0.699482 Ca\n0.452684 0.452683 0.297086 Ca\n0.828344 0.828342 0.732490 Zn\n0.842590 0.842590 0.099783 Zn\n0.166841 0.166839 0.886593 Zn\n0.161825 0.161824 0.284571 Ag\n",
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{
"id": "jvasp-107577",
"created_at": "2022-09-04T14:36:57.439936Z",
"updated_at": "2022-09-04T14:36:57.439956Z",
"structure_string": "Ca2 Zn3 Ga1\n1.0\n4.470345 0.029494 3.608858\n2.197837 3.892862 3.608858\n0.011373 0.006690 7.277022\nCa Zn Ga\n2 3 1\ndirect\n0.458469 0.458468 0.792300 Ca\n0.542266 0.542264 0.205910 Ca\n0.163466 0.163465 0.383867 Zn\n0.164853 0.164853 0.786714 Zn\n0.835194 0.835191 0.220883 Zn\n0.835756 0.835754 0.610326 Ga\n",
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{
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"updated_at": "2022-09-04T14:38:16.923434Z",
"structure_string": "Ca2 Zn4\n1.0\n4.185114 -0.000000 1.804985\n2.016199 5.261066 1.079542\n0.007657 -0.016628 5.736632\nCa Zn\n2 4\ndirect\n0.547072 0.702928 0.202927 Ca\n0.452928 0.297072 0.797071 Ca\n0.164494 0.278393 0.392620 Zn\n0.835506 0.721607 0.607379 Zn\n0.164494 0.892621 0.778392 Zn\n0.835505 0.107380 0.221606 Zn\n",
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{
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"updated_at": "2022-09-04T14:35:57.459269Z",
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},
{
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"created_at": "2022-09-04T14:36:09.329511Z",
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"structure_string": "Ca2 Zn6\n1.0\n6.457317 -0.000000 0.000000\n-3.228659 5.592200 -0.000000\n-0.000000 0.000000 4.434897\nCa Zn\n2 6\ndirect\n0.666667 0.333333 0.250000 Ca\n0.333333 0.666667 0.750001 Ca\n0.143739 0.287478 0.250000 Zn\n0.712522 0.856261 0.250000 Zn\n0.143739 0.856261 0.250000 Zn\n0.287478 0.143739 0.750001 Zn\n0.856261 0.143739 0.750001 Zn\n0.856261 0.712522 0.750001 Zn\n",
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}