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{
"id": "jvasp-110513",
"created_at": "2022-09-04T14:38:39.020442Z",
"updated_at": "2022-09-04T14:38:39.020462Z",
"structure_string": "Cr6 As2\n1.0\n4.575903 0.000000 -0.000000\n0.000000 4.575903 0.000000\n-0.000000 0.000000 4.575903\nCr As\n6 2\ndirect\n0.250000 0.000000 0.500000 Cr\n0.750000 0.000000 0.500000 Cr\n0.500000 0.250000 0.000000 Cr\n0.500000 0.750000 0.000000 Cr\n0.000000 0.500000 0.250000 Cr\n0.000000 0.500000 0.750000 Cr\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 As\n",
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{
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"updated_at": "2022-09-04T14:38:09.036237Z",
"structure_string": "Cr5 Si4 O14\n1.0\n5.626462 -0.012913 0.017015\n-2.047842 7.056960 0.013845\n-0.101498 -3.079653 7.144890\nCr Si O\n5 4 14\ndirect\n0.000000 0.000000 0.000000 Cr\n0.077050 0.396232 0.807587 Cr\n0.650866 0.588368 0.699440 Cr\n0.349134 0.411633 0.300561 Cr\n0.922951 0.603769 0.192415 Cr\n0.499615 0.231530 0.863271 Si\n0.777703 0.211394 0.392453 Si\n0.222297 0.788607 0.607549 Si\n0.500385 0.768472 0.136730 Si\n0.459420 0.992256 0.726585 O\n0.589707 0.637417 0.244007 O\n0.997990 0.782323 0.745867 O\n0.329126 0.588710 0.566795 O\n0.677832 0.777350 0.969565 O\n0.322169 0.222651 0.030436 O\n0.540580 0.007746 0.273417 O\n0.002010 0.217679 0.254134 O\n0.410293 0.362585 0.755994 O\n0.208493 0.645783 0.045528 O\n0.791508 0.354219 0.954473 O\n0.876170 0.208740 0.585035 O\n0.670874 0.411291 0.433206 O\n0.123830 0.791262 0.414966 O\n",
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],
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"density": 3.4883069082293057,
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"volume": 283.8634572773456,
"volume_molar": 7.432459549323571,
"formula_full": "Cr5 Si4 O14",
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{
"id": "jvasp-112482",
"created_at": "2022-09-04T14:38:40.535669Z",
"updated_at": "2022-09-04T14:38:40.535696Z",
"structure_string": "Cr5 Se8\n1.0\n5.618652 -0.018683 3.859693\n0.957939 5.536420 3.859693\n0.004957 0.004159 8.432190\nCr Se\n5 8\ndirect\n0.000000 0.000000 0.000000 Cr\n0.270207 0.270207 0.987153 Cr\n0.729794 0.729794 0.012846 Cr\n0.271575 0.728426 0.499999 Cr\n0.728426 0.271575 0.499999 Cr\n0.974992 0.974993 0.325294 Se\n0.025008 0.025008 0.674705 Se\n0.450797 0.450797 0.333914 Se\n0.549204 0.549204 0.666085 Se\n0.033168 0.544467 0.170995 Se\n0.544467 0.033168 0.170995 Se\n0.966832 0.455534 0.829004 Se\n0.455533 0.966833 0.829004 Se\n",
"nsites": 13,
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"elements": [
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"chemical_system": "Cr-Se",
"density": 5.645430452206917,
"density_atomic": 0.04956690343404037,
"volume": 262.27178014659216,
"volume_molar": 12.14951982629655,
"formula_full": "Cr5 Se8",
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"spacegroup": 12
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{
"id": "jvasp-45176",
"created_at": "2022-09-04T14:36:59.910191Z",
"updated_at": "2022-09-04T14:36:59.910206Z",
"structure_string": "Cr5 Sb3 O16\n1.0\n6.032200 -0.001968 0.019941\n2.986043 5.241287 0.019730\n0.052356 0.030768 8.841545\nCr Sb O\n5 3 16\ndirect\n0.836094 0.335703 0.794411 Cr\n0.656843 0.656826 0.519558 Cr\n0.335721 0.836077 0.794411 Cr\n0.169202 0.169186 0.291124 Cr\n0.326184 0.326171 0.002190 Cr\n0.833826 0.833810 0.791151 Sb\n0.666433 0.169272 0.288371 Sb\n0.169289 0.666416 0.288373 Sb\n0.659464 0.174024 0.899896 O\n0.332215 0.332198 0.409623 O\n0.049893 0.470954 0.158979 O\n0.470971 0.049876 0.158978 O\n0.830632 0.830618 0.400637 O\n0.172206 0.172189 0.892171 O\n0.519635 0.948171 0.655756 O\n0.004839 0.004819 0.686374 O\n0.335150 0.831419 0.398213 O\n0.004328 0.004308 0.175625 O\n0.478269 0.478252 0.149406 O\n0.665674 0.665660 0.906021 O\n0.529673 0.529654 0.669144 O\n0.831434 0.335135 0.398212 O\n0.948187 0.519617 0.655755 O\n0.174039 0.659449 0.899895 O\n",
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"density": 5.2340451755081565,
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{
"id": "jvasp-100012",
"created_at": "2022-09-04T14:36:33.024779Z",
"updated_at": "2022-09-04T14:36:33.024804Z",
"structure_string": "Cr5 Ni1 As3\n1.0\n3.616258 0.000000 0.000000\n0.000000 5.460852 3.271235\n0.000000 -0.025321 6.365630\nCr Ni As\n5 1 3\ndirect\n0.500000 0.602218 0.397781 Cr\n0.500000 0.406184 0.010178 Cr\n0.500000 0.989822 0.593816 Cr\n0.000000 0.748340 0.005666 Cr\n0.000000 0.994334 0.251659 Cr\n0.000000 0.257308 0.742692 Ni\n0.000000 0.326648 0.340871 As\n0.000000 0.659128 0.673352 As\n0.500000 0.015917 0.984083 As\n",
"nsites": 9,
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"density": 7.161513928179172,
"density_atomic": 0.07142457916705151,
"volume": 126.00704274295174,
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"formula_full": "Cr5 Ni1 As3",
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"formula_anonymous": "AB3C5",
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"spacegroup": 38
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{
"id": "jvasp-119199",
"created_at": "2022-09-04T14:38:52.168970Z",
"updated_at": "2022-09-04T14:38:52.168992Z",
"structure_string": "Cr5 In1 S8\n1.0\n8.900167 -0.000000 2.349513\n8.219576 3.413437 2.349513\n-0.000000 -0.000000 8.673777\nCr In S\n5 1 8\ndirect\n0.203051 0.203051 0.165152 Cr\n0.796057 0.796058 0.834158 Cr\n0.500580 0.500581 0.500128 Cr\n0.841130 0.841131 0.473986 Cr\n0.157545 0.157545 0.527474 Cr\n0.981543 0.981544 0.007997 In\n0.414621 0.414621 0.327409 S\n0.584636 0.584637 0.673581 S\n0.736889 0.736889 0.345330 S\n0.262087 0.262087 0.656414 S\n0.076406 0.076406 0.349550 S\n0.923822 0.923823 0.649544 S\n0.328172 0.328172 0.989294 S\n0.672353 0.672354 0.010477 S\n",
"nsites": 14,
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"elements": [
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"chemical_system": "Cr-In-S",
"density": 3.9783163409088247,
"density_atomic": 0.05312876686087393,
"volume": 263.5107273741401,
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"formula_full": "Cr5 In1 S8",
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{
"id": "jvasp-95470",
"created_at": "2022-09-04T14:36:33.350894Z",
"updated_at": "2022-09-04T14:36:33.350919Z",
"structure_string": "Cr4 Te8 O22\n1.0\n6.857583 0.000000 -1.219963\n0.000000 7.634199 0.000000\n-0.041705 0.000000 9.785019\nCr Te O\n4 8 22\ndirect\n0.318819 0.500451 0.384044 Cr\n0.681180 0.000451 0.115956 Cr\n0.681180 0.499549 0.615956 Cr\n0.318819 0.999550 0.884044 Cr\n0.681146 0.639499 0.915382 Te\n0.318853 0.360501 0.084618 Te\n0.681146 0.860501 0.415382 Te\n0.318853 0.139499 0.584618 Te\n0.850725 0.139883 0.823264 Te\n0.850726 0.360117 0.323264 Te\n0.149274 0.860117 0.176737 Te\n0.149273 0.639883 0.676737 Te\n0.469889 0.134085 0.765701 O\n0.206387 0.882968 0.708158 O\n0.793612 0.382968 0.791842 O\n0.793612 0.117032 0.291842 O\n0.206387 0.617032 0.208158 O\n0.126550 0.187677 0.843306 O\n0.873448 0.687677 0.656694 O\n0.873449 0.812324 0.156694 O\n0.126551 0.312324 0.343306 O\n0.530109 0.634085 0.734299 O\n0.565184 0.637191 0.449071 O\n0.469890 0.365915 0.265701 O\n0.565184 0.862809 0.949071 O\n0.434815 0.362809 0.550929 O\n0.434815 0.137191 0.050929 O\n0.499999 0.000000 0.500000 O\n0.156327 0.851880 0.983297 O\n0.843671 0.351880 0.516703 O\n0.843672 0.148120 0.016703 O\n0.156328 0.648120 0.483297 O\n0.530110 0.865915 0.234299 O\n0.500000 0.500000 0.000000 O\n",
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"elements": [
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"formula_full": "Cr4 Te8 O22",
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{
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"created_at": "2022-09-04T14:37:46.455579Z",
"updated_at": "2022-09-04T14:37:46.455608Z",
"structure_string": "Cr4 Te4\n1.0\n4.118171 0.000000 0.000000\n0.000000 6.336663 0.000000\n0.000000 0.000000 7.131959\nCr Te\n4 4\ndirect\n0.750000 0.999980 0.250009 Cr\n0.250000 0.000019 0.749992 Cr\n0.750000 0.499980 0.249991 Cr\n0.250000 0.500019 0.750009 Cr\n0.750000 0.749995 0.583344 Te\n0.250000 0.250004 0.416656 Te\n0.750000 0.249995 0.916656 Te\n0.250000 0.750004 0.083344 Te\n",
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"formula_full": "Cr4 Te4",
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{
"id": "jvasp-92342",
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"updated_at": "2022-09-04T14:35:48.575862Z",
"structure_string": "Cr4 Te4\n1.0\n4.118170 -0.000000 0.000000\n0.000000 6.336665 0.000000\n0.000000 0.000000 7.131960\nCr Te\n4 4\ndirect\n0.750000 0.999980 0.749991 Cr\n0.250000 0.000020 0.250009 Cr\n0.750000 0.499980 0.750009 Cr\n0.250000 0.500019 0.249991 Cr\n0.750000 0.749995 0.416656 Te\n0.250000 0.250005 0.583344 Te\n0.750000 0.249996 0.083344 Te\n0.250000 0.750004 0.916656 Te\n",
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"formula_full": "Cr4 Te4",
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{
"id": "jvasp-90419",
"created_at": "2022-09-04T14:36:04.913247Z",
"updated_at": "2022-09-04T14:36:04.913266Z",
"structure_string": "Cr4 Te4\n1.0\n0.000000 0.000000 -4.118234\n0.000000 -6.337407 -0.000000\n-7.131376 0.000000 0.000000\nCr Te\n4 4\ndirect\n0.749999 0.500018 0.750055 Cr\n0.749999 0.000018 0.749946 Cr\n0.250000 0.499983 0.249945 Cr\n0.250000 -0.000018 0.250055 Cr\n0.749999 0.249957 0.083352 Te\n0.749999 0.749957 0.416649 Te\n0.250000 0.750044 0.916649 Te\n0.250000 0.250044 0.583352 Te\n",
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{
"id": "jvasp-109407",
"created_at": "2022-09-04T14:38:27.651969Z",
"updated_at": "2022-09-04T14:38:27.651992Z",
"structure_string": "Cr4 Te3 Se1\n1.0\n4.024893 0.000000 0.000000\n-2.012447 3.485659 0.000000\n-0.000000 -0.000000 12.539463\nCr Te Se\n4 3 1\ndirect\n0.000000 0.000000 0.116831 Cr\n0.000000 0.000000 0.627673 Cr\n0.000000 0.000000 0.372327 Cr\n0.000000 0.000000 0.883169 Cr\n0.666666 0.333333 0.500000 Te\n0.333333 0.666667 0.244371 Te\n0.333333 0.666667 0.755628 Te\n0.666666 0.333333 -0.000000 Se\n",
"nsites": 8,
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"density_atomic": 0.04547490613096056,
"volume": 175.92119875874536,
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"formula_full": "Cr4 Te3 Se1",
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"formula_anonymous": "AB3C4",
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"spacegroup": 187
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{
"id": "jvasp-106824",
"created_at": "2022-09-04T14:36:58.538648Z",
"updated_at": "2022-09-04T14:36:58.538671Z",
"structure_string": "Cr4 Te3 S1\n1.0\n6.022274 -0.014486 -4.244387\n-0.575144 3.764200 -6.307362\n0.027807 0.014486 7.367620\nCr Te S\n4 3 1\ndirect\n0.094048 0.122495 0.971554 Cr\n0.645258 0.615473 0.029785 Cr\n0.414312 0.384526 0.029785 Cr\n0.849059 0.877507 0.971553 Cr\n0.160696 0.500001 0.660696 Te\n0.095962 0.761999 0.333964 Te\n0.571965 0.238002 0.333962 Te\n0.675949 0.000000 0.675949 S\n",
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"formula_full": "Cr4 Te3 S1",
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}
]
}