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{
"id": "jvasp-78398",
"created_at": "2022-09-04T14:37:13.522467Z",
"updated_at": "2022-09-04T14:37:13.522491Z",
"structure_string": "Ru1 N1\n1.0\n0.000000 0.000000 -2.718845\n-1.470983 -2.548987 0.000000\n-1.470983 2.548987 0.000000\nRu N\n1 1\ndirect\n0.000000 0.999973 0.000025 Ru\n0.500001 0.666726 0.333272 N\n",
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{
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{
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"structure_string": "Li4 Ga20 O32\n1.0\n8.295704 0.000000 -0.000000\n-0.000000 8.295704 -0.000000\n0.000000 0.000000 8.295704\nLi Ga O\n4 20 32\ndirect\n0.625000 0.625000 0.625000 Li\n0.375000 0.125000 0.875000 Li\n0.875000 0.375000 0.125000 Li\n0.125000 0.875000 0.375000 Li\n0.253718 0.253718 0.253718 Ga\n0.003718 0.496282 0.503718 Ga\n0.496282 0.503718 0.003718 Ga\n0.503718 0.003718 0.496282 Ga\n0.753717 0.246282 0.746282 Ga\n0.246282 0.746282 0.753717 Ga\n0.746282 0.753717 0.246282 Ga\n0.996282 0.996282 0.996282 Ga\n0.614964 0.875000 0.864964 Ga\n0.125000 0.364964 0.885035 Ga\n0.635035 0.385036 0.375000 Ga\n0.364964 0.885035 0.125000 Ga\n0.885035 0.125000 0.364964 Ga\n0.114964 0.625000 0.135036 Ga\n0.385036 0.375000 0.635035 Ga\n0.864964 0.614964 0.875000 Ga\n0.135036 0.114964 0.625000 Ga\n0.625000 0.135036 0.114964 Ga\n0.375000 0.635035 0.385036 Ga\n0.875000 0.864964 0.614964 Ga\n0.387181 0.387181 0.387181 O\n0.874302 0.884358 0.380293 O\n0.130293 0.865641 0.124302 O\n0.630293 0.634358 0.875697 O\n0.865641 0.124302 0.130293 O\n0.134358 0.624302 0.369707 O\n0.124302 0.130293 0.865641 O\n0.375698 0.869707 0.365641 O\n0.380293 0.874302 0.884358 O\n0.880292 0.625698 0.115642 O\n0.619707 0.374302 0.615641 O\n0.625698 0.115642 0.880292 O\n0.615641 0.619707 0.374302 O\n0.115642 0.880292 0.625698 O\n0.112819 0.612818 0.887181 O\n0.884358 0.380293 0.874302 O\n0.374302 0.615641 0.619707 O\n0.125698 0.384358 0.119707 O\n0.384358 0.119707 0.125698 O\n0.365641 0.375698 0.869707 O\n0.369707 0.134358 0.624302 O\n0.869707 0.365641 0.375698 O\n0.119707 0.125698 0.384358 O\n0.862818 0.862818 0.862818 O\n0.634358 0.875697 0.630293 O\n0.887181 0.112819 0.612818 O\n0.612818 0.887181 0.112819 O\n0.875697 0.630293 0.634358 O\n0.637181 0.137181 0.362818 O\n0.137181 0.362818 0.637181 O\n0.624302 0.369707 0.134358 O\n0.362818 0.637181 0.137181 O\n",
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"volume": 570.8996051455532,
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{
"id": "jvasp-30306",
"created_at": "2022-09-04T14:37:56.997049Z",
"updated_at": "2022-09-04T14:37:56.997059Z",
"structure_string": "Mn1 C2 O6\n1.0\n2.312128 1.029224 -3.870208\n-0.000000 4.102025 3.853481\n2.312128 -1.029224 3.870207\nMn C O\n1 2 6\ndirect\n0.500001 0.500000 0.500000 Mn\n0.237438 0.712312 0.762563 C\n0.762564 0.287689 0.237437 C\n0.058809 0.285124 0.278364 O\n0.495321 0.714877 0.058808 O\n0.278365 0.714877 0.504679 O\n0.721637 0.285124 0.495321 O\n0.504680 0.285124 0.941192 O\n0.941193 0.714877 0.721636 O\n",
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{
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"structure_string": "Li4 Mn2 P4 H2 O16\n1.0\n8.242590 0.000000 0.000000\n-0.000000 4.591828 1.191482\n-0.000000 0.022659 7.548485\nLi Mn P H O\n4 2 4 2 16\ndirect\n0.637517 0.137055 0.401978 Li\n0.137517 0.862946 0.598022 Li\n0.861094 0.648145 0.902311 Li\n0.361094 0.351856 0.097688 Li\n-0.001099 0.247655 0.246392 Mn\n0.498901 0.752345 0.753608 Mn\n0.855399 0.619549 0.504890 P\n0.355399 0.380452 0.495109 P\n0.641581 0.122663 0.010766 P\n0.141581 0.877338 0.989233 P\n0.490941 0.727097 0.260766 H\n0.990941 0.272904 0.739233 H\n0.335609 0.618598 0.601839 O\n0.835609 0.381402 0.398160 O\n0.445545 0.506397 0.306963 O\n0.026447 0.633447 0.099274 O\n0.307477 0.758147 0.956200 O\n0.945545 0.493604 0.693036 O\n0.662347 0.886724 0.899895 O\n0.807477 0.241853 0.043799 O\n0.692600 0.738326 0.545435 O\n0.973246 0.861723 0.402745 O\n0.551393 0.002158 0.193894 O\n0.162347 0.113276 0.100104 O\n0.192600 0.261674 0.454564 O\n0.473246 0.138277 0.597254 O\n0.051393 -0.002158 0.806105 O\n0.526447 0.366553 0.900725 O\n",
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"formula_full": "Li4 Mn2 P4 H2 O16",
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},
{
"id": "jvasp-12055",
"created_at": "2022-09-04T14:36:15.245686Z",
"updated_at": "2022-09-04T14:36:15.245708Z",
"structure_string": "Mn1 Co3 O8\n1.0\n1.624218 -2.473384 -4.836654\n1.624218 -5.432390 -0.000000\n-3.064208 -3.875166 -2.370779\nMn Co O\n1 3 8\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000000 -0.000000 Co\n0.000000 0.500000 -0.000000 Co\n0.500000 0.500000 -0.000001 Co\n0.239448 0.239449 0.785333 O\n0.735770 0.239449 0.785333 O\n0.239449 0.735770 0.785333 O\n0.736236 0.736237 0.791289 O\n0.263764 0.263764 0.208711 O\n0.760551 0.264230 0.214667 O\n0.264230 0.760552 0.214667 O\n0.760551 0.760552 0.214667 O\n",
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"formula_full": "Mn1 Co3 O8",
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"spacegroup": 166
},
{
"id": "jvasp-66718",
"created_at": "2022-09-04T14:35:50.429019Z",
"updated_at": "2022-09-04T14:35:50.429049Z",
"structure_string": "Be2 Fe1 Ir1\n1.0\n2.735272 0.000000 0.000000\n0.000000 2.735272 0.000000\n-0.000000 0.000000 5.451028\nBe Fe Ir\n2 1 1\ndirect\n0.000000 0.000000 0.028673 Be\n0.500000 0.500000 0.232908 Be\n0.000000 0.000000 0.463868 Fe\n0.500000 0.500000 0.774552 Ir\n",
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},
{
"id": "jvasp-47668",
"created_at": "2022-09-04T14:37:19.255308Z",
"updated_at": "2022-09-04T14:37:19.255331Z",
"structure_string": "Li4 Cr2 Ni2 P4 O16\n1.0\n0.000000 4.708693 -0.033133\n6.037738 0.000000 0.000000\n0.000000 -0.076285 -10.041202\nLi Cr Ni P O\n4 2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.525060 0.250000 0.220909 Cr\n0.474940 0.750000 0.779091 Cr\n0.043164 0.750000 0.278779 Ni\n0.956837 0.250000 0.721221 Ni\n0.421188 0.250000 0.907756 P\n0.914288 0.750000 0.594784 P\n0.085712 0.250000 0.405216 P\n0.578813 0.750000 0.092243 P\n0.287381 0.041696 0.839621 O\n0.287381 0.458304 0.839621 O\n0.770207 0.548187 0.666585 O\n0.770207 0.951814 0.666585 O\n0.241509 0.750000 0.603969 O\n0.196229 0.250000 0.550030 O\n0.803772 0.750000 0.449970 O\n0.253163 0.750000 0.092869 O\n0.229793 0.048187 0.333415 O\n0.229793 0.451814 0.333415 O\n0.712619 0.541696 0.160379 O\n0.712619 0.958304 0.160379 O\n0.746837 0.250000 0.907130 O\n0.295458 0.250000 0.052816 O\n0.758491 0.250000 0.396031 O\n0.704543 0.750000 0.947184 O\n",
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"formula_full": "Li4 Cr2 Ni2 P4 O16",
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{
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"created_at": "2022-09-04T14:38:26.478311Z",
"updated_at": "2022-09-04T14:38:26.478332Z",
"structure_string": "Co6 O4 F8\n1.0\n4.484015 -0.000277 -0.000545\n0.000590 9.119183 -0.052996\n0.000569 0.037629 4.488073\nCo O F\n6 4 8\ndirect\n0.032887 0.659001 0.038013 Co\n0.532886 0.507665 0.461985 Co\n-0.000009 0.333329 -0.000028 Co\n0.499992 0.833337 0.500026 Co\n0.967113 0.007663 0.962002 Co\n0.467113 0.159003 0.537992 Co\n0.164993 0.167342 0.807179 O\n0.664995 0.999324 0.692818 O\n0.834999 0.499320 0.192788 O\n0.335000 0.667345 0.307211 O\n0.699614 0.339582 0.692184 F\n0.764060 0.169932 0.216626 F\n0.264058 -0.003266 0.283371 F\n0.735939 0.669944 0.716646 F\n0.235937 0.496722 0.783352 F\n0.800409 0.839584 0.192260 F\n0.300409 0.327081 0.307735 F\n0.199614 0.827083 0.807816 F\n",
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"formula_full": "Co6 O4 F8",
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{
"id": "jvasp-45912",
"created_at": "2022-09-04T14:38:12.276761Z",
"updated_at": "2022-09-04T14:38:12.276789Z",
"structure_string": "Li1 Ti4 V1 O8\n1.0\n5.812915 0.013075 -0.014619\n-0.090223 5.877983 0.036609\n-2.843231 -2.944163 4.166530\nLi Ti V O\n1 4 1 8\ndirect\n0.500000 0.000001 0.500000 Li\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500001 0.500000 -0.000000 Ti\n0.000000 0.500000 0.000000 V\n0.239827 0.250000 -0.010639 O\n0.784928 0.255621 0.522419 O\n0.751089 0.752298 0.499180 O\n0.248733 0.748657 0.000784 O\n0.751269 0.251344 0.999216 O\n0.248912 0.247703 0.500820 O\n0.215073 0.744380 0.477581 O\n0.760174 0.750001 0.010639 O\n",
"nsites": 14,
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],
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},
{
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"created_at": "2022-09-04T14:37:19.565194Z",
"updated_at": "2022-09-04T14:37:19.565224Z",
"structure_string": "Mn3 Cu3 O8\n1.0\n5.933367 0.076619 0.054178\n3.033038 5.100136 0.054178\n3.033038 1.751125 4.790396\nMn Cu O\n3 3 8\ndirect\n0.125000 0.625000 0.625001 Mn\n0.625000 0.124999 0.625001 Mn\n0.625000 0.625000 0.125001 Mn\n0.000081 0.000081 0.000081 Cu\n0.249919 0.249919 0.249919 Cu\n0.625000 0.625000 0.625001 Cu\n0.387296 0.387295 0.387296 O\n0.377632 0.377631 0.834615 O\n0.377632 0.834614 0.377632 O\n0.834614 0.377631 0.377632 O\n0.415386 0.872368 0.872370 O\n0.872369 0.415385 0.872370 O\n0.872369 0.872369 0.415387 O\n0.862705 0.862704 0.862706 O\n",
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"formula_full": "Mn3 Cu3 O8",
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{
"id": "jvasp-117437",
"created_at": "2022-09-04T14:38:26.557026Z",
"updated_at": "2022-09-04T14:38:26.557046Z",
"structure_string": "Li4 Co4 P4 O16\n1.0\n5.336577 0.012699 0.575717\n-1.257972 5.889238 -1.489277\n-0.035470 -0.023436 9.081281\nLi Co P O\n4 4 4 16\ndirect\n0.636028 0.006646 0.240885 Li\n0.363979 0.993337 0.759110 Li\n0.189555 0.156466 0.423581 Li\n0.810466 0.843540 0.576410 Li\n0.850005 0.534820 0.277993 Co\n0.149995 0.465174 0.722006 Co\n0.278285 0.340808 0.093169 Co\n0.721715 0.659194 0.906829 Co\n0.679384 0.318748 0.573307 P\n0.320617 0.681252 0.426694 P\n0.804320 0.191116 0.948706 P\n0.195676 0.808886 0.051295 P\n0.800021 0.562270 0.668175 O\n0.199976 0.437733 0.331823 O\n0.404811 0.233073 0.636809 O\n0.595194 0.766922 0.363195 O\n0.872479 0.172943 0.587472 O\n0.127530 0.827063 0.412528 O\n0.693736 0.950189 0.859266 O\n0.608401 0.335175 0.936530 O\n0.151932 0.792065 0.881382 O\n0.848062 0.207933 0.118619 O\n0.077491 0.288013 0.886408 O\n0.922507 0.711991 0.113595 O\n0.654667 0.316943 0.404991 O\n0.391598 0.664832 0.063473 O\n0.306259 0.049815 0.140734 O\n0.345324 0.683050 0.595009 O\n",
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],
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"formula_full": "Li4 Co4 P4 O16",
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}
]
}