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{
"id": "jvasp-35481",
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{
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"structure_string": "V2 Fe1 Se4\n1.0\n0.000000 3.371958 -0.000000\n0.009518 -0.000000 6.157758\n5.861236 -1.685980 -2.906036\nV Fe Se\n2 1 4\ndirect\n0.256010 0.316367 0.512019 V\n0.743991 0.683633 0.487982 V\n0.000000 0.000000 0.000000 Fe\n0.104491 0.443841 0.208981 Se\n0.895510 0.556159 0.791020 Se\n0.361608 0.023900 0.723216 Se\n0.638393 0.976101 0.276785 Se\n",
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{
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"structure_string": "Co2 Ni1 Se4\n1.0\n0.000000 3.584458 -0.000000\n-0.010252 -0.000000 6.141425\n5.275698 -1.792228 -2.934044\nCo Ni Se\n2 1 4\ndirect\n0.260544 0.279420 0.521089 Co\n0.739457 0.720582 0.478912 Co\n0.000000 0.000000 0.000000 Ni\n0.124238 0.460057 0.248477 Se\n0.875762 0.539945 0.751524 Se\n0.363380 0.023502 0.726761 Se\n0.636620 0.976500 0.273240 Se\n",
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{
"id": "jvasp-35441",
"created_at": "2022-09-04T14:37:50.619094Z",
"updated_at": "2022-09-04T14:37:50.619104Z",
"structure_string": "Ti2 Ni1 S4\n1.0\n0.000000 3.403173 0.000000\n0.004991 0.000000 5.875446\n5.634996 -1.701587 -2.923468\nTi Ni S\n2 1 4\ndirect\n0.256174 0.262598 0.512350 Ti\n0.743824 0.737402 0.487651 Ti\n0.000000 0.000000 0.000000 Ni\n0.118371 0.448155 0.236745 S\n0.881627 0.551845 0.763256 S\n0.376621 0.040323 0.753243 S\n0.623377 0.959678 0.246757 S\n",
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"spacegroup": 12
},
{
"id": "jvasp-10101",
"created_at": "2022-09-04T14:37:50.485624Z",
"updated_at": "2022-09-04T14:37:50.485645Z",
"structure_string": "Na4 Zr2 Se6\n1.0\n6.584264 -0.000000 2.238597\n3.292132 6.031461 1.119299\n0.013231 -0.000000 7.236977\nNa Zr Se\n4 2 6\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500001 Na\n0.157470 0.685058 0.500001 Na\n0.842529 0.314942 0.500001 Na\n0.668667 0.662664 0.000001 Zr\n0.331332 0.337336 0.000000 Zr\n0.434796 0.641516 0.773290 Se\n0.282440 0.000000 0.224639 Se\n0.565203 0.358484 0.226712 Se\n0.923686 0.641516 0.226712 Se\n0.076313 0.358484 0.773289 Se\n0.717559 0.000000 0.775363 Se\n",
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{
"id": "jvasp-10721",
"created_at": "2022-09-04T14:37:51.216779Z",
"updated_at": "2022-09-04T14:37:51.216804Z",
"structure_string": "Rb2 Cu6 S4\n1.0\n3.931725 0.000000 0.000000\n-1.965863 6.799895 -2.822706\n0.000000 0.028912 8.497604\nRb Cu S\n2 6 4\ndirect\n0.865514 0.731023 0.959122 Rb\n0.134488 0.268976 0.040877 Rb\n0.405671 0.811339 0.360989 Cu\n0.308714 0.617428 0.583043 Cu\n0.067313 0.134626 0.413359 Cu\n0.932688 0.865373 0.586640 Cu\n0.691287 0.382571 0.416956 Cu\n0.594331 0.188660 0.639009 Cu\n0.809252 0.618503 0.311407 S\n0.190749 0.381496 0.688592 S\n0.525358 0.050715 0.247912 S\n0.474643 0.949284 0.752087 S\n",
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{
"id": "jvasp-79537",
"created_at": "2022-09-04T14:37:50.726232Z",
"updated_at": "2022-09-04T14:37:50.726261Z",
"structure_string": "Na1 N3\n1.0\n2.960301 1.124969 -1.694119\n2.960301 -1.124969 -1.694119\n0.461109 0.000000 -6.290902\nNa N\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 N\n0.878994 0.878994 0.702532 N\n0.121005 0.121005 0.297469 N\n",
"nsites": 4,
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{
"id": "jvasp-26383",
"created_at": "2022-09-04T14:37:50.937705Z",
"updated_at": "2022-09-04T14:37:50.937723Z",
"structure_string": "K2 Li2 Zn2 O4\n1.0\n3.266551 -0.000037 0.754496\n1.417210 5.330220 1.312688\n0.001496 -0.002614 7.443889\nK Li Zn O\n2 2 2 4\ndirect\n0.162315 0.305953 0.369306 K\n0.837686 0.694047 0.630695 K\n0.658895 0.627409 0.054787 Li\n0.341106 0.372590 0.945214 Li\n0.954316 0.906660 0.184668 Zn\n0.045684 0.093339 0.815333 Zn\n0.537115 0.233820 0.692049 O\n0.462886 0.766180 0.307952 O\n0.163019 0.736166 0.937827 O\n0.836981 0.263834 0.062174 O\n",
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],
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"formula_full": "K2 Li2 Zn2 O4",
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"spacegroup": 12
},
{
"id": "jvasp-35387",
"created_at": "2022-09-04T14:37:51.185066Z",
"updated_at": "2022-09-04T14:37:51.185077Z",
"structure_string": "Tm2 Cr2 C3\n1.0\n0.000000 3.322655 -0.000000\n0.026613 -0.000000 5.480386\n4.987255 -1.661328 -1.475923\nTm Cr C\n2 2 3\ndirect\n0.607445 0.316263 0.214891 Tm\n0.392553 0.683739 0.785109 Tm\n0.844539 0.114388 0.689083 Cr\n0.155459 0.885614 0.310917 Cr\n0.282354 0.235179 0.564711 C\n0.717644 0.764822 0.435290 C\n0.000000 0.000000 0.000000 C\n",
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],
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"formula_full": "Tm2 Cr2 C3",
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{
"id": "jvasp-110229",
"created_at": "2022-09-04T14:37:51.183004Z",
"updated_at": "2022-09-04T14:37:51.183025Z",
"structure_string": "K2 P2 O6\n1.0\n7.129425 -0.283209 2.398427\n5.088028 5.002087 2.398427\n0.147274 0.056883 4.618680\nK P O\n2 2 6\ndirect\n0.888480 0.888481 0.351996 K\n0.111519 0.111519 0.648006 K\n0.378613 0.378613 0.762856 P\n0.621386 0.621387 0.237146 P\n0.645037 0.185576 0.840619 O\n0.814423 0.354963 0.159383 O\n0.354963 0.814424 0.159383 O\n0.185576 0.645037 0.840619 O\n0.309511 0.309511 0.582284 O\n0.690488 0.690489 0.417718 O\n",
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},
{
"id": "jvasp-3750",
"created_at": "2022-09-04T14:37:51.272628Z",
"updated_at": "2022-09-04T14:37:51.272642Z",
"structure_string": "Mn1 H4 Br2 O2\n1.0\n3.865717 -0.008647 -0.344296\n-0.598040 5.751040 -0.806721\n-0.020616 0.042406 5.839366\nMn H Br O\n1 4 2 2\ndirect\n-0.000007 -0.000006 -0.000013 Mn\n0.845399 0.226056 0.613386 H\n0.154585 0.386987 0.774320 H\n0.845412 0.613013 0.225675 H\n0.154599 0.773948 0.386617 H\n0.445106 0.750728 0.750456 Br\n0.554902 0.249274 0.249563 Br\n0.000159 0.759681 0.239818 O\n0.999848 0.240322 0.760180 O\n",
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{
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"structure_string": "O2\n1.0\n3.147342 -0.135353 -1.111865\n-1.752833 2.832899 -0.250170\n-0.030912 -0.021308 3.992323\nO\n2\ndirect\n0.138696 0.018394 0.157089 O\n0.861306 0.981607 0.842910 O\n",
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}