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{
"id": "jvasp-48915",
"created_at": "2022-09-04T14:36:08.342761Z",
"updated_at": "2022-09-04T14:36:08.342771Z",
"structure_string": "Li4 Mn2 O2 F6\n1.0\n0.000000 3.038346 -0.069694\n5.076930 0.000000 0.000000\n0.000000 -0.230239 -9.344325\nLi Mn O F\n4 2 2 6\ndirect\n0.500458 0.771688 0.178406 Li\n0.500458 0.228312 0.678406 Li\n0.499288 0.235625 0.312068 Li\n0.499288 0.764375 0.812068 Li\n0.000564 0.746935 0.483221 Mn\n0.000564 0.253065 0.983222 Mn\n0.500838 0.867283 0.385199 O\n0.500838 0.132717 0.885199 O\n-0.000353 0.397717 0.384842 F\n-0.000353 0.602283 0.884842 F\n0.000239 0.968015 0.133656 F\n0.498970 0.418656 0.122608 F\n0.000239 0.031985 0.633656 F\n0.498970 0.581344 0.622609 F\n",
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{
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"structure_string": "Ba2 Tm4 O8\n1.0\n3.393052 0.000000 0.000000\n-1.696526 5.579194 -0.000000\n0.000000 0.000000 11.365577\nBa Tm O\n2 4 8\ndirect\n0.113013 0.226026 0.250000 Ba\n0.886985 0.773973 0.750000 Ba\n0.365525 0.731054 0.429857 Tm\n0.365525 0.731054 0.070143 Tm\n0.634473 0.268946 0.570143 Tm\n0.634473 0.268946 0.929857 Tm\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.433171 0.866345 0.250000 O\n0.260088 0.520179 0.600776 O\n0.260088 0.520179 0.899225 O\n0.566827 0.133654 0.750000 O\n0.739910 0.479820 0.399224 O\n0.739910 0.479820 0.100776 O\n",
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"volume": 215.1560026632229,
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{
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"structure_string": "Cd1 Hg1 C4 S4 N4\n1.0\n3.920907 0.000195 1.026084\n1.960836 8.190248 0.513003\n-0.111170 -0.000038 8.437556\nCd Hg C S N\n1 1 4 4 4\ndirect\n0.750066 0.499964 0.499935 Cd\n-0.000036 0.000009 0.000015 Hg\n0.117273 0.647466 0.828952 C\n0.235501 0.171047 0.647469 C\n0.593473 0.352534 0.171054 C\n0.053757 0.828965 0.352513 C\n0.165691 0.998397 0.284635 S\n0.449291 0.001787 0.715493 S\n0.835687 0.715417 0.998323 S\n0.549127 0.284605 0.001742 S\n0.975180 0.707087 0.403012 N\n0.317878 0.596891 0.707128 N\n0.085286 0.292798 0.596872 N\n0.621836 0.403035 0.292855 N\n",
"nsites": 14,
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"density_atomic": 0.05149179989795694,
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{
"id": "jvasp-85544",
"created_at": "2022-09-04T14:36:02.972265Z",
"updated_at": "2022-09-04T14:36:02.972289Z",
"structure_string": "Pr3 Ga10 Ni1\n1.0\n4.297703 -0.000000 0.000000\n-0.000000 4.294864 0.000000\n0.000000 0.000000 15.283020\nPr Ga Ni\n3 10 1\ndirect\n0.500000 0.000000 0.500000 Pr\n0.000000 0.000000 0.248564 Pr\n0.000000 0.000000 0.751436 Pr\n0.500000 0.499999 0.183290 Ga\n0.500000 0.499999 0.816710 Ga\n0.500000 0.499999 0.342358 Ga\n0.500000 0.499999 0.657642 Ga\n0.000000 0.499999 0.419245 Ga\n0.000000 0.499999 0.580755 Ga\n0.000000 0.499999 0.084838 Ga\n0.000000 0.499999 0.915162 Ga\n0.500000 0.000000 0.084489 Ga\n0.500000 0.000000 0.915511 Ga\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 14,
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"formula_full": "Pr3 Ga10 Ni1",
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{
"id": "jvasp-85483",
"created_at": "2022-09-04T14:36:02.878546Z",
"updated_at": "2022-09-04T14:36:02.878572Z",
"structure_string": "Mn4 Ni2 O8\n1.0\n5.055496 -0.001380 2.920152\n1.684895 4.765809 2.918136\n0.000767 -0.000784 5.838432\nMn Ni O\n4 2 8\ndirect\n0.500009 0.000007 0.500001 Mn\n-0.000006 0.499992 0.500008 Mn\n0.499999 0.499997 -0.000008 Mn\n0.499995 0.500011 0.499986 Mn\n0.125015 0.124998 0.125011 Ni\n0.875006 0.874987 0.875010 Ni\n0.738986 0.739134 0.738958 O\n0.260855 0.261022 0.717074 O\n0.261041 0.717084 0.261021 O\n0.717077 0.261055 0.260835 O\n0.738941 0.282924 0.738964 O\n0.282920 0.738963 0.739152 O\n0.261022 0.260847 0.261054 O\n0.739155 0.738987 0.282921 O\n",
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"formula_full": "Mn4 Ni2 O8",
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{
"id": "jvasp-50414",
"created_at": "2022-09-04T14:36:01.987096Z",
"updated_at": "2022-09-04T14:36:01.987128Z",
"structure_string": "Na2 Sn4 O8\n1.0\n0.000000 6.659933 -0.000000\n3.329967 -3.329967 4.709378\n6.659933 0.000000 0.000000\nNa Sn O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Na\n0.750000 0.500000 0.750000 Na\n0.375000 0.250000 0.375000 Sn\n0.875000 0.250000 0.375000 Sn\n0.375000 0.750000 0.375000 Sn\n0.375000 0.750000 0.875000 Sn\n0.143309 0.286617 0.143302 O\n0.606691 0.213383 0.179919 O\n0.570080 0.713383 0.143309 O\n0.143301 0.713383 0.143309 O\n0.606691 0.213383 0.606698 O\n0.143309 0.286617 0.570081 O\n0.606698 0.786618 0.606691 O\n0.179919 0.786618 0.606691 O\n",
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"density_atomic": 0.06702313912579554,
"volume": 208.88308400063806,
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"formula_full": "Na2 Sn4 O8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 227
},
{
"id": "jvasp-43813",
"created_at": "2022-09-04T14:36:06.101019Z",
"updated_at": "2022-09-04T14:36:06.101037Z",
"structure_string": "Li2 Mn1 Co3 O8\n1.0\n5.701830 -0.000000 -0.031040\n-0.000000 5.676938 0.000000\n2.678009 2.838469 4.057675\nLi Mn Co O\n2 1 3 8\ndirect\n0.500000 0.500000 0.500001 Li\n0.500000 -0.000000 0.500001 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 -0.000000 Co\n-0.000000 0.500000 0.500001 Co\n-0.000000 -0.000000 0.500001 Co\n0.206016 0.733582 0.030609 O\n0.206016 0.235810 0.030609 O\n0.206911 0.732021 0.535959 O\n0.213154 0.234117 0.531767 O\n0.786846 0.765883 0.468234 O\n0.793089 0.267979 0.464043 O\n0.793984 0.764190 0.969392 O\n0.793984 0.266418 0.969392 O\n",
"nsites": 14,
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"formula_full": "Li2 Mn1 Co3 O8",
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{
"id": "jvasp-48466",
"created_at": "2022-09-04T14:35:54.581189Z",
"updated_at": "2022-09-04T14:35:54.581209Z",
"structure_string": "Li1 Co5 O7 F1\n1.0\n-0.019108 4.028383 4.028383\n4.028383 -0.019108 4.028383\n4.028383 4.028383 -0.019108\nLi Co O F\n1 5 7 1\ndirect\n0.008629 0.008629 0.008629 Li\n0.245080 0.245080 0.245080 Co\n0.619331 0.619331 0.125579 Co\n0.619331 0.125579 0.619331 Co\n0.125579 0.619331 0.619331 Co\n0.625660 0.625660 0.625660 Co\n0.835904 0.387246 0.387246 O\n0.384470 0.384470 0.384470 O\n0.387246 0.835904 0.387246 O\n0.387246 0.387246 0.835904 O\n0.860601 0.860601 0.417319 O\n0.860601 0.417319 0.860601 O\n0.417319 0.860601 0.860601 O\n0.873000 0.873000 0.873000 F\n",
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"volume": 131.67438742293996,
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{
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"created_at": "2022-09-04T14:36:05.340529Z",
"updated_at": "2022-09-04T14:36:05.340548Z",
"structure_string": "Li2 Mn3 Co1 O8\n1.0\n0.010826 4.057569 4.057569\n4.057569 0.010826 4.057569\n4.057569 4.057569 0.010826\nLi Mn Co O\n2 3 1 8\ndirect\n0.124773 0.124773 0.124773 Li\n0.875228 0.875228 0.875228 Li\n0.500000 0.000001 0.500000 Mn\n0.500000 0.500000 0.000001 Mn\n0.000001 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Co\n0.261664 0.261664 0.261664 O\n0.710873 0.262242 0.262242 O\n0.262242 0.710873 0.262242 O\n0.262242 0.262242 0.710873 O\n0.737759 0.737759 0.289127 O\n0.737759 0.289127 0.737759 O\n0.289127 0.737759 0.737759 O\n0.738337 0.738337 0.738337 O\n",
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{
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"created_at": "2022-09-04T14:36:05.368052Z",
"updated_at": "2022-09-04T14:36:05.368078Z",
"structure_string": "Ba2 Cu4 P8\n1.0\n5.296645 -0.000000 1.517275\n2.648321 5.166906 0.758638\n0.016128 -0.000000 9.947344\nBa Cu P\n2 4 8\ndirect\n0.125000 0.750001 0.750000 Ba\n0.874999 0.250000 0.250001 Ba\n0.253077 0.250000 0.493844 Cu\n0.746922 0.750001 0.506156 Cu\n0.496922 0.250000 0.006156 Cu\n0.503077 0.750001 0.993844 Cu\n0.828320 0.370143 0.858543 P\n0.313137 0.129857 0.858542 P\n0.442994 0.870144 0.358543 P\n0.557005 0.129857 0.641458 P\n0.198463 0.629858 0.358543 P\n0.686862 0.870144 0.141458 P\n0.801536 0.370143 0.641458 P\n0.171679 0.629858 0.141458 P\n",
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{
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"created_at": "2022-09-04T14:36:05.465962Z",
"updated_at": "2022-09-04T14:36:05.465973Z",
"structure_string": "Sm3 Co6 Sn5\n1.0\n4.180057 0.000000 1.141576\n1.595691 7.661528 2.380876\n0.011925 0.002835 8.180078\nSm Co Sn\n3 6 5\ndirect\n0.682809 0.317192 0.317192 Sm\n0.317193 0.682809 0.682808 Sm\n0.000000 0.000000 0.000000 Sm\n0.893419 0.380360 0.832807 Co\n0.106582 0.619641 0.167194 Co\n0.893419 0.832807 0.380360 Co\n0.500000 0.697186 0.302815 Co\n0.500001 0.302815 0.697186 Co\n0.106583 0.167194 0.619641 Co\n0.675805 0.984173 0.664219 Sn\n0.324196 0.335782 0.015827 Sn\n0.675805 0.664219 0.984173 Sn\n0.000000 0.500000 0.500000 Sn\n0.324197 0.015827 0.335782 Sn\n",
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{
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"created_at": "2022-09-04T14:36:05.423477Z",
"updated_at": "2022-09-04T14:36:05.423493Z",
"structure_string": "Rb2 Te12\n1.0\n6.689890 -0.108697 -1.723258\n-3.055845 6.179616 -0.458497\n-0.025734 -0.016009 12.476417\nRb Te\n2 12\ndirect\n0.873793 0.623794 0.250000 Rb\n0.126206 0.376206 0.750000 Rb\n0.156330 0.228401 0.349964 Te\n0.378436 0.806367 0.150036 Te\n0.537004 0.760067 0.406989 Te\n0.853078 0.130015 0.093011 Te\n0.462996 0.239933 0.593011 Te\n0.146922 0.869985 0.906989 Te\n0.816122 0.223586 0.442620 Te\n0.280966 0.373503 0.057379 Te\n0.183878 0.776414 0.557379 Te\n0.719034 0.626497 0.942621 Te\n0.621563 0.193634 0.849964 Te\n0.843669 0.771599 0.650036 Te\n",
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}
]
}