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{
"id": "jvasp-12688",
"created_at": "2022-09-04T14:37:27.086880Z",
"updated_at": "2022-09-04T14:37:27.086898Z",
"structure_string": "Cr2 Si4 O12\n1.0\n6.188951 0.034386 -1.664126\n-0.247509 6.184095 1.664126\n0.004567 -0.004365 5.328100\nCr Si O\n2 4 12\ndirect\n0.094627 0.094628 0.750000 Cr\n0.905373 0.905375 0.249999 Cr\n0.786874 0.388943 0.247335 Si\n0.213126 0.611059 0.752665 Si\n0.611058 0.213127 0.747335 Si\n0.388942 0.786875 0.252665 Si\n0.814317 0.040388 0.865954 O\n0.630779 0.350588 0.452629 O\n0.350586 0.630779 0.047371 O\n0.372917 0.094508 0.721737 O\n0.627084 0.905494 0.278262 O\n0.369222 0.649415 0.547371 O\n0.094507 0.372917 0.778262 O\n0.185683 0.959615 0.134045 O\n0.040386 0.814318 0.634045 O\n0.959614 0.185684 0.365954 O\n0.905493 0.627085 0.221737 O\n0.649414 0.369223 0.952629 O\n",
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{
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"structure_string": "Ba1 Ca2 Ga1\n1.0\n3.761145 0.000000 0.000000\n0.000000 3.761145 0.000000\n0.000000 0.000000 10.146749\nBa Ca Ga\n1 2 1\ndirect\n0.500001 0.500001 0.500000 Ba\n0.000000 0.000000 0.828617 Ca\n0.000000 0.000000 0.171383 Ca\n0.500001 0.500001 0.000000 Ga\n",
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{
"id": "jvasp-97506",
"created_at": "2022-09-04T14:35:56.655304Z",
"updated_at": "2022-09-04T14:35:56.655321Z",
"structure_string": "Ba2 H8 O12\n1.0\n3.822994 4.784301 -0.446448\n-3.822994 4.784301 0.446448\n-0.029141 0.000000 6.489607\nBa H O\n2 8 12\ndirect\n0.810674 0.810674 0.750000 Ba\n0.172421 0.172421 0.250000 Ba\n0.405640 0.434562 -0.049734 H\n0.349090 0.664592 0.042500 H\n0.434562 0.405640 0.549734 H\n0.664592 0.349090 0.457500 H\n0.023890 0.328484 0.694245 H\n0.328484 0.023890 0.805756 H\n0.952326 0.664013 0.292067 H\n0.664013 0.952326 0.207933 H\n0.431583 0.079574 0.911117 O\n0.079574 0.431583 0.588884 O\n0.389868 0.778502 0.560366 O\n0.778502 0.389868 0.939635 O\n0.534175 0.284033 0.490371 O\n0.974034 0.806933 0.202830 O\n0.212398 0.912094 0.635928 O\n0.912094 0.212398 0.864073 O\n0.806933 0.974033 0.297170 O\n0.881007 0.494947 0.430072 O\n0.284033 0.534175 0.009629 O\n0.494947 0.881007 0.069928 O\n",
"nsites": 22,
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"formula_full": "Ba2 H8 O12",
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{
"id": "jvasp-10261",
"created_at": "2022-09-04T14:38:10.871778Z",
"updated_at": "2022-09-04T14:38:10.871805Z",
"structure_string": "Li8 Ce1 O6\n1.0\n5.027948 0.021733 3.746383\n1.892575 4.658207 3.746383\n0.032138 0.021733 6.270136\nLi Ce O\n8 1 6\ndirect\n0.357040 0.357039 0.357039 Li\n0.500438 0.898634 0.228790 Li\n0.228792 0.500436 0.898634 Li\n0.898635 0.228790 0.500436 Li\n0.499564 0.101365 0.771209 Li\n0.771210 0.499563 0.101365 Li\n0.642962 0.642961 0.642960 Li\n0.101367 0.771209 0.499563 Li\n0.000000 0.000000 0.000000 Ce\n0.241935 0.897986 0.602338 O\n0.102015 0.397661 0.758066 O\n0.758067 0.102014 0.397661 O\n0.602340 0.241933 0.897986 O\n0.897987 0.602338 0.241933 O\n0.397662 0.758066 0.102013 O\n",
"nsites": 15,
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{
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"created_at": "2022-09-04T14:38:50.714797Z",
"updated_at": "2022-09-04T14:38:50.714817Z",
"structure_string": "Sn1 P1 Cl2\n1.0\n3.932836 0.000000 0.000000\n0.000000 3.932836 0.000000\n0.000000 0.000000 7.129228\nSn P Cl\n1 1 2\ndirect\n0.500000 0.500000 0.738101 Sn\n0.000000 0.000000 0.788955 P\n0.000000 0.000000 0.080454 Cl\n0.500000 0.500000 0.402490 Cl\n",
"nsites": 4,
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"volume": 110.26918821301825,
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"formula_full": "Sn1 P1 Cl2",
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"formula_anonymous": "ABC2",
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{
"id": "jvasp-57829",
"created_at": "2022-09-04T14:37:16.458995Z",
"updated_at": "2022-09-04T14:37:16.459020Z",
"structure_string": "Na2 Ag2 N4 O8\n1.0\n6.106376 -0.103884 -2.214843\n-2.992965 5.323606 -2.214843\n0.130809 0.219306 6.734666\nNa Ag N O\n2 2 4 8\ndirect\n0.763575 0.236426 0.500001 Na\n0.513575 0.486426 0.000001 Na\n0.249144 0.750858 0.500001 Ag\n0.999144 0.000857 0.000001 Ag\n0.519375 0.480627 0.500001 N\n0.269374 0.730626 0.000001 N\n0.793944 0.206058 0.000001 N\n0.043943 0.956058 0.500001 N\n0.791260 0.329819 0.186868 O\n0.670183 0.208741 0.813135 O\n0.854394 0.892952 0.313135 O\n0.410338 0.502917 0.320732 O\n0.107050 0.145607 0.686867 O\n0.067814 0.660394 0.820732 O\n0.497084 0.589664 0.679271 O\n0.339607 0.932187 0.179271 O\n",
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"density_atomic": 0.07180412129787445,
"volume": 222.82843534321802,
"volume_molar": 8.38690126854636,
"formula_full": "Na2 Ag2 N4 O8",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 43
},
{
"id": "jvasp-40206",
"created_at": "2022-09-04T14:38:36.063902Z",
"updated_at": "2022-09-04T14:38:36.063926Z",
"structure_string": "Ca3 Sn2 S7\n1.0\n3.528182 -3.528182 0.000000\n3.528182 3.528182 -0.000000\n-3.528182 -0.000000 11.688805\nCa Sn S\n3 2 7\ndirect\n0.500000 0.500000 0.000000 Ca\n0.329717 0.329717 0.659434 Ca\n0.670283 0.670283 0.340566 Ca\n0.112298 0.112298 0.224596 Sn\n0.887702 0.887702 0.775404 Sn\n0.000000 0.000000 0.000000 S\n0.590505 0.090505 0.181012 S\n0.090505 0.590505 0.181012 S\n0.409495 0.909495 0.818989 S\n0.909495 0.409495 0.818989 S\n0.214722 0.214722 0.429443 S\n0.785278 0.785278 0.570557 S\n",
"nsites": 12,
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"volume": 291.0060842203411,
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"formula_full": "Ca3 Sn2 S7",
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"formula_anonymous": "A2B3C7",
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},
{
"id": "jvasp-43243",
"created_at": "2022-09-04T14:36:30.477504Z",
"updated_at": "2022-09-04T14:36:30.477523Z",
"structure_string": "Li2 Co2 P2 O8\n1.0\n4.537627 0.005059 0.018925\n-1.199800 4.945327 0.016942\n-1.700142 -0.418284 7.156113\nLi Co P O\n2 2 2 8\ndirect\n0.734246 0.710253 0.986491 Li\n0.265755 0.289748 0.013507 Li\n0.964139 0.769157 0.584884 Co\n0.035862 0.230844 0.415114 Co\n0.345145 0.812821 0.254880 P\n0.654856 0.187181 0.745119 P\n0.149556 0.615748 0.371285 O\n0.318443 0.088689 0.619353 O\n0.646258 0.329642 0.924824 O\n0.197641 0.057982 0.210814 O\n0.802360 0.942019 0.789185 O\n0.353743 0.670360 0.075175 O\n0.681558 0.911313 0.380645 O\n0.850445 0.384254 0.628714 O\n",
"nsites": 14,
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"elements": [
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"density_atomic": 0.08704974082287231,
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"formula_full": "Li2 Co2 P2 O8",
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"formula_anonymous": "ABCD4",
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},
{
"id": "jvasp-38175",
"created_at": "2022-09-04T14:37:48.079187Z",
"updated_at": "2022-09-04T14:37:48.079212Z",
"structure_string": "Rb4 Ga4 H8\n1.0\n4.511129 -0.000000 0.000000\n0.000000 7.462477 0.000000\n0.000000 0.000000 9.339395\nRb Ga H\n4 4 8\ndirect\n0.750000 0.620169 0.171425 Rb\n0.750000 0.120169 0.328575 Rb\n0.250000 0.879832 0.671425 Rb\n0.250000 0.379832 0.828574 Rb\n0.250000 0.937554 0.034836 Ga\n0.250000 0.437554 0.465164 Ga\n0.750000 0.562447 0.534836 Ga\n0.750000 0.062446 0.965164 Ga\n0.750000 0.278421 0.019146 H\n0.250000 0.896961 0.210864 H\n0.250000 0.396960 0.289136 H\n0.750000 0.778421 0.480854 H\n0.250000 0.221579 0.519146 H\n0.750000 0.603040 0.710863 H\n0.750000 0.103040 0.789136 H\n0.250000 0.721579 0.980854 H\n",
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"volume": 314.40322759819225,
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"formula_full": "Rb4 Ga4 H8",
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{
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"created_at": "2022-09-04T14:37:19.460217Z",
"updated_at": "2022-09-04T14:37:19.460249Z",
"structure_string": "Sc2 Si2 O7\n1.0\n4.688281 0.001333 -0.634526\n-0.921840 5.113208 -1.402450\n-0.002214 0.003898 5.381592\nSc Si O\n2 2 7\ndirect\n0.000001 0.309475 0.690525 Sc\n0.000000 0.690526 0.309475 Sc\n0.408217 0.224835 0.224835 Si\n0.591783 0.775165 0.775164 Si\n0.786904 0.922086 0.605193 O\n0.213097 0.394806 0.077914 O\n0.213097 0.077914 0.394806 O\n0.786904 0.605194 0.922085 O\n0.500000 -0.000000 -0.000000 O\n0.278743 0.604756 0.604755 O\n0.721258 0.395245 0.395244 O\n",
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{
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"created_at": "2022-09-04T14:37:08.379348Z",
"updated_at": "2022-09-04T14:37:08.379369Z",
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],
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"volume": 1239.5306224201236,
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"formula_full": "Zr4 Se16 Cl24",
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{
"id": "jvasp-115436",
"created_at": "2022-09-04T14:38:46.608268Z",
"updated_at": "2022-09-04T14:38:46.608288Z",
"structure_string": "Na1 Sr1 As1\n1.0\n-0.000000 3.592948 3.592948\n3.592948 0.000000 3.592948\n3.592948 3.592948 0.000000\nNa Sr As\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sr\n0.749999 0.749999 0.749999 As\n",
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]
}