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{
"id": "jvasp-86722",
"created_at": "2022-09-04T14:35:43.410049Z",
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"structure_string": "Pr4 Ni4 I2\n1.0\n4.089424 0.000000 -0.000000\n-2.044712 3.541546 -0.000000\n0.000000 -0.000000 17.454148\nPr Ni I\n4 4 2\ndirect\n0.000000 0.000000 0.605916 Pr\n0.000000 0.000000 0.394084 Pr\n0.000000 0.000000 0.105916 Pr\n0.000000 0.000000 0.894084 Pr\n0.666667 0.333333 0.500492 Ni\n0.333333 0.666668 0.000492 Ni\n0.666667 0.333333 0.999509 Ni\n0.333333 0.666668 0.499509 Ni\n0.666667 0.333333 0.250000 I\n0.333333 0.666668 0.750000 I\n",
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{
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"structure_string": "Na6 Zn1 Sn2\n1.0\n5.453042 0.000000 0.000000\n-2.726521 4.975949 -0.700054\n0.000000 0.012970 9.313957\nNa Zn Sn\n6 1 2\ndirect\n0.474177 0.948353 0.280053 Na\n0.171552 0.343105 0.594857 Na\n0.298722 0.597445 0.936248 Na\n0.828448 0.656896 0.405144 Na\n0.525823 0.051647 0.719948 Na\n0.701277 0.402555 0.063753 Na\n0.000000 0.000000 0.000000 Zn\n0.149111 0.298222 0.252567 Sn\n0.850889 0.701778 0.747433 Sn\n",
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{
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"structure_string": "Ga4 Se6\n1.0\n5.850913 0.040660 3.344814\n1.853242 6.378181 1.059450\n0.001128 0.020330 6.787785\nGa Se\n4 6\ndirect\n0.722466 0.504495 0.494593 Ga\n0.217060 0.004495 0.505407 Ga\n0.415090 0.500747 0.170093 Ga\n0.585183 0.000747 0.829907 Ga\n0.251930 0.888409 0.157434 Se\n0.409365 0.388409 0.842566 Se\n0.789069 0.360808 0.162317 Se\n0.951386 0.860808 0.837683 Se\n0.097450 0.393140 0.523150 Se\n0.620600 0.893140 0.476851 Se\n",
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"volume": 252.77230217688899,
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"formula_full": "Ga4 Se6",
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{
"id": "jvasp-29408",
"created_at": "2022-09-04T14:37:01.518937Z",
"updated_at": "2022-09-04T14:37:01.518959Z",
"structure_string": "Pb4 S2 O10\n1.0\n5.280860 0.000000 -2.181474\n-1.177806 6.383418 -2.851205\n-0.004608 0.054671 7.471468\nPb S O\n4 2 10\ndirect\n0.476157 0.726924 0.952317 Pb\n0.523842 0.273076 0.047683 Pb\n0.147881 0.109355 0.295760 Pb\n0.852118 0.890645 0.704240 Pb\n0.831314 0.343646 0.662630 S\n0.168685 0.656354 0.337370 S\n0.101232 0.427222 0.202464 O\n0.358041 0.752778 0.291449 O\n0.898767 0.572778 0.797536 O\n0.253047 -0.000000 0.000000 O\n0.715561 0.299562 0.431122 O\n0.066592 0.247222 0.708551 O\n0.284438 0.700438 0.568878 O\n0.641958 0.247222 0.708551 O\n0.933407 0.752778 0.291449 O\n0.746953 -0.000000 0.000000 O\n",
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"formula_full": "Pb4 S2 O10",
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{
"id": "jvasp-86120",
"created_at": "2022-09-04T14:35:50.211437Z",
"updated_at": "2022-09-04T14:35:50.211469Z",
"structure_string": "Pr4 Ni4 I2\n1.0\n4.089415 -0.000000 0.000000\n-2.044708 3.541538 0.000000\n0.000000 -0.000000 17.452452\nPr Ni I\n4 4 2\ndirect\n0.000000 0.000000 0.605916 Pr\n0.000000 0.000000 0.394084 Pr\n0.000000 0.000000 0.105916 Pr\n0.000000 0.000000 0.894084 Pr\n0.666668 0.333333 0.500499 Ni\n0.333333 0.666667 0.000499 Ni\n0.666668 0.333333 0.999501 Ni\n0.333333 0.666667 0.499501 Ni\n0.666668 0.333333 0.250000 I\n0.333333 0.666667 0.750000 I\n",
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{
"id": "jvasp-86167",
"created_at": "2022-09-04T14:35:59.825975Z",
"updated_at": "2022-09-04T14:35:59.826000Z",
"structure_string": "Na6 Zn1 Sn2\n1.0\n5.453021 0.000000 0.000000\n-2.726511 4.976357 -0.700338\n0.000000 0.012227 9.312465\nNa Zn Sn\n6 1 2\ndirect\n0.474358 0.948716 0.280173 Na\n0.171497 0.342994 0.594919 Na\n0.298769 0.597537 0.936390 Na\n0.828503 0.657007 0.405080 Na\n0.525643 0.051285 0.719826 Na\n0.701232 0.402464 0.063610 Na\n0.000000 0.000000 0.000000 Zn\n0.149247 0.298494 0.252574 Sn\n0.850754 0.701508 0.747426 Sn\n",
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{
"id": "jvasp-49978",
"created_at": "2022-09-04T14:38:12.975865Z",
"updated_at": "2022-09-04T14:38:12.975880Z",
"structure_string": "Sr2 Sm4 O8\n1.0\n0.000000 7.096512 0.000000\n3.548256 -3.548256 5.018741\n7.096512 -0.000000 -0.000000\nSr Sm O\n2 4 8\ndirect\n0.624999 0.750000 0.125000 Sr\n0.375000 0.250000 0.875000 Sr\n-0.000000 0.500000 0.000000 Sm\n0.500000 0.000000 0.500000 Sm\n0.000000 0.000000 0.500000 Sm\n-0.000000 0.500000 0.500000 Sm\n0.765315 0.030644 0.265252 O\n0.765251 0.469356 0.265331 O\n0.204103 0.469356 0.265315 O\n0.234669 0.969356 0.295897 O\n0.765330 0.030644 0.704103 O\n0.795896 0.530644 0.734685 O\n0.234748 0.530644 0.734670 O\n0.234685 0.969356 0.734749 O\n",
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{
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"created_at": "2022-09-04T14:38:41.141026Z",
"updated_at": "2022-09-04T14:38:41.141064Z",
"structure_string": "V4 Ag4 O12\n1.0\n8.916039 -0.027152 2.313578\n8.207072 3.484317 2.313578\n-0.079795 -0.016111 8.055957\nV Ag O\n4 4 12\ndirect\n0.320861 0.320862 0.564143 V\n0.873464 0.873466 0.227864 V\n0.680401 0.680403 0.433238 V\n0.130675 0.130675 0.769118 V\n0.252176 0.252177 0.041381 Ag\n0.000522 0.000522 0.501052 Ag\n0.452474 0.452475 0.865961 Ag\n0.550233 0.550235 0.130051 Ag\n0.967293 0.967296 0.239941 O\n0.192044 0.192045 0.496023 O\n0.259953 0.259953 0.760706 O\n0.811249 0.811251 0.494642 O\n0.881472 0.881475 0.011885 O\n0.740722 0.740724 0.231341 O\n0.121316 0.121316 0.985601 O\n0.408794 0.408795 0.599955 O\n0.036451 0.036451 0.758497 O\n0.651690 0.651692 0.705923 O\n0.350996 0.350997 0.286973 O\n0.592414 0.592415 0.398412 O\n",
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{
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"created_at": "2022-09-04T14:38:42.251301Z",
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"structure_string": "Nd4 Ga4 Pd4\n1.0\n4.547925 0.000000 0.000000\n0.000000 7.172159 0.000000\n-0.000000 0.000000 7.747389\nNd Ga Pd\n4 4 4\ndirect\n0.250000 0.018702 0.699120 Nd\n0.250000 0.518703 0.800881 Nd\n0.750001 0.981298 0.300881 Nd\n0.750001 0.481298 0.199119 Nd\n0.250000 0.177179 0.079033 Ga\n0.250000 0.677179 0.420967 Ga\n0.750001 0.822821 0.920967 Ga\n0.750001 0.322821 0.579033 Ga\n0.250000 0.288804 0.406974 Pd\n0.250000 0.788804 0.093026 Pd\n0.750001 0.711197 0.593026 Pd\n0.750001 0.211196 0.906974 Pd\n",
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{
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{
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"updated_at": "2022-09-04T14:36:43.680335Z",
"structure_string": "Li6 Mn5 Sb1 O12\n1.0\n2.464886 -4.635380 -0.201494\n-5.248558 -0.122642 -0.201494\n-0.428128 -0.731782 -10.321360\nLi Mn Sb O\n6 5 1 12\ndirect\n0.593014 0.926438 0.288018 Li\n0.741434 0.741434 0.716375 Li\n0.073564 0.406992 0.711984 Li\n0.926438 0.593014 0.288018 Li\n0.258569 0.258569 0.283624 Li\n0.406992 0.073565 0.711984 Li\n0.164672 0.835328 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.835328 0.164672 0.500000 Mn\n0.333395 0.666605 -0.000000 Mn\n0.666605 0.333395 -0.000000 Mn\n0.000000 0.000000 0.000000 Sb\n0.339391 0.009638 0.893245 O\n0.990362 0.660609 0.106754 O\n0.430234 0.755132 0.613417 O\n0.906994 0.906994 0.382894 O\n0.244868 0.569765 0.386583 O\n0.705068 0.705068 0.901424 O\n0.294932 0.294932 0.098575 O\n0.755132 0.430235 0.613417 O\n0.093005 0.093006 0.617105 O\n0.569765 0.244868 0.386583 O\n0.009637 0.339391 0.893245 O\n0.660609 0.990362 0.106754 O\n",
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"structure_string": "La4 Mg2 Si4\n1.0\n7.504546 0.000000 0.000000\n0.000000 7.504546 0.000000\n-0.000000 -0.000000 4.486967\nLa Mg Si\n4 2 4\ndirect\n0.680122 0.180122 0.500000 La\n0.319879 0.819879 0.500000 La\n0.180122 0.319879 0.500000 La\n0.819879 0.680122 0.500000 La\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.114214 0.614214 -0.000000 Si\n0.885787 0.385786 -0.000000 Si\n0.614214 0.885787 -0.000000 Si\n0.385786 0.114214 -0.000000 Si\n",
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"volume": 252.69795275791054,
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}
]
}