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{
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{
"id": "jvasp-112744",
"created_at": "2022-09-04T14:38:43.804490Z",
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"structure_string": "Li4 V6 O12\n1.0\n4.948832 -0.022917 0.653787\n-0.768218 6.495269 -0.797132\n0.032849 -0.080043 6.588369\nLi V O\n4 6 12\ndirect\n-0.000019 0.669869 0.669861 Li\n0.500019 0.169861 0.169870 Li\n-0.000034 0.330122 0.330149 Li\n0.500034 0.830147 0.830121 Li\n0.750009 0.249969 0.749972 V\n0.249993 0.750032 0.250029 V\n0.750002 0.907118 0.407116 V\n0.750002 0.592808 0.092806 V\n0.249998 0.092886 0.592886 V\n0.249997 0.407190 0.907190 V\n0.127421 0.031566 0.313436 O\n0.627420 0.531526 0.813378 O\n0.872585 0.968434 0.686573 O\n0.372574 0.468475 0.186615 O\n0.372578 0.813438 0.531563 O\n0.384754 0.132920 0.867131 O\n0.115253 0.367134 0.632917 O\n0.615254 0.867078 0.132872 O\n0.884739 0.632868 0.367083 O\n0.127425 0.686618 0.968473 O\n0.872580 0.313374 0.031531 O\n0.627415 0.186569 0.468438 O\n",
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{
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"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",
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"formula_full": "Li2 Mn1 Co3 O8",
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"formula_anonymous": "AB2C3D8",
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{
"id": "jvasp-9679",
"created_at": "2022-09-04T14:38:09.666516Z",
"updated_at": "2022-09-04T14:38:09.666537Z",
"structure_string": "Th2 Ti4 O12\n1.0\n4.942214 -0.006617 1.746992\n1.903739 6.477283 1.569834\n-0.000153 -0.004930 6.931362\nTh Ti O\n2 4 12\ndirect\n0.750000 0.187614 0.812385 Th\n0.250000 0.812385 0.187614 Th\n0.937848 0.352290 0.188888 Ti\n0.562152 0.811111 0.647709 Ti\n0.062152 0.647709 0.811111 Ti\n0.437848 0.188888 0.352290 Ti\n0.971020 0.729587 0.547828 O\n0.528980 0.452171 0.270412 O\n0.156229 0.904114 0.823068 O\n0.469322 0.881636 0.397712 O\n0.656229 0.823068 0.904114 O\n0.471020 0.547828 0.729587 O\n0.028981 0.270412 0.452171 O\n0.969322 0.397712 0.881637 O\n0.530679 0.118363 0.602287 O\n0.030679 0.602287 0.118363 O\n0.843771 0.095885 0.176931 O\n0.343771 0.176931 0.095885 O\n",
"nsites": 18,
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],
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"volume": 221.99848372791766,
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"spacegroup": 15
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{
"id": "jvasp-12675",
"created_at": "2022-09-04T14:37:06.492977Z",
"updated_at": "2022-09-04T14:37:06.493001Z",
"structure_string": "Pb2 W2 O8\n1.0\n5.091381 0.000000 -2.107150\n-0.872078 5.016138 -2.107150\n-0.006095 -0.007246 7.189851\nPb W O\n2 2 8\ndirect\n0.375000 0.124999 0.750000 Pb\n0.625000 0.875000 0.250000 Pb\n0.875000 0.625000 0.750000 W\n0.125000 0.375000 0.250000 W\n0.190576 0.564089 0.915707 O\n0.351619 0.690576 0.415707 O\n0.064089 0.225131 0.415707 O\n0.725131 0.851618 0.915707 O\n0.274869 0.148381 0.084293 O\n0.935911 0.774869 0.584293 O\n0.648381 0.309424 0.584293 O\n0.809424 0.435911 0.084293 O\n",
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{
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"created_at": "2022-09-04T14:36:36.408274Z",
"updated_at": "2022-09-04T14:36:36.408295Z",
"structure_string": "Fe1 Cu1 Rh2\n1.0\n-7.757886 0.000000 -4.479018\n-8.188188 0.003340 5.224323\n-5.316932 8.124477 0.251163\nFe Cu Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 -0.000000 Cu\n0.767895 0.000000 -0.000000 Rh\n0.232106 0.000000 -0.000000 Rh\n",
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},
{
"id": "jvasp-112762",
"created_at": "2022-09-04T14:38:43.462168Z",
"updated_at": "2022-09-04T14:38:43.462192Z",
"structure_string": "Li4 Mn6 Sb2 O16\n1.0\n5.754155 0.000267 0.000036\n-0.000272 5.967470 0.230397\n-0.000062 0.107298 8.922018\nLi Mn Sb O\n4 6 2 16\ndirect\n0.000007 0.247669 0.136494 Li\n0.499994 0.747662 0.636491 Li\n-0.000005 0.752333 0.863507 Li\n0.500004 0.252339 0.363510 Li\n0.249964 0.750007 0.249980 Mn\n-0.000001 0.500000 0.500002 Mn\n0.750040 0.249994 0.750020 Mn\n0.749961 0.749999 0.250019 Mn\n0.500004 0.000001 0.000000 Mn\n0.250039 0.250002 0.749981 Mn\n-0.000002 -0.000000 0.500002 Sb\n0.500001 0.500001 -0.000001 Sb\n-0.000032 0.972624 0.267092 O\n0.728306 0.758599 -0.003309 O\n0.228310 0.258602 0.496690 O\n0.499968 0.527378 0.232908 O\n0.000032 0.027377 0.732907 O\n0.500033 0.472622 0.767093 O\n0.271695 0.241401 0.003310 O\n0.500026 0.033724 0.779947 O\n0.728313 0.241396 0.003311 O\n0.228305 0.741398 0.503310 O\n0.499975 0.966277 0.220055 O\n0.000025 0.466276 0.720054 O\n0.771694 0.258603 0.496691 O\n-0.000025 0.533723 0.279946 O\n0.771690 0.741399 0.503310 O\n0.271690 0.758604 0.996690 O\n",
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"formula_full": "Li4 Mn6 Sb2 O16",
"formula_reduced": "Li2Mn3SbO8",
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"spacegroup": 12
},
{
"id": "jvasp-109738",
"created_at": "2022-09-04T14:38:27.832093Z",
"updated_at": "2022-09-04T14:38:27.832115Z",
"structure_string": "Hf2 Al3 Au1\n1.0\n4.584623 -0.006377 2.569343\n1.502448 4.331450 2.569343\n-0.008975 -0.006377 5.255493\nHf Al Au\n2 3 1\ndirect\n0.377195 0.377194 0.377194 Hf\n0.622806 0.622804 0.622804 Hf\n0.500000 -0.000000 -0.000000 Al\n0.000001 -0.000000 0.500000 Al\n0.000000 0.500000 -0.000000 Al\n0.000000 0.000000 0.000000 Au\n",
"nsites": 6,
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],
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},
{
"id": "jvasp-102549",
"created_at": "2022-09-04T14:37:11.784552Z",
"updated_at": "2022-09-04T14:37:11.784574Z",
"structure_string": "Pm1 Pr1 Ir2\n1.0\n4.344105 -0.000000 2.508070\n1.448035 4.095662 2.508070\n-0.000000 -0.000000 5.016141\nPm Pr Ir\n1 1 2\ndirect\n0.500001 0.500000 0.499999 Pm\n0.000000 0.000000 0.000000 Pr\n0.250001 0.250000 0.250000 Ir\n0.750002 0.750000 0.749999 Ir\n",
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"density_atomic": 0.044819378814101286,
"volume": 89.24710930490409,
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"formula_full": "Pm1 Pr1 Ir2",
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},
{
"id": "jvasp-95310",
"created_at": "2022-09-04T14:36:19.556538Z",
"updated_at": "2022-09-04T14:36:19.556572Z",
"structure_string": "Ca4 Nb8 O24\n1.0\n5.274679 0.000000 0.000000\n-0.000000 5.831941 0.000000\n0.000000 0.000000 15.146490\nCa Nb O\n4 8 24\ndirect\n0.750000 0.221783 0.000000 Ca\n0.250000 0.778217 0.000000 Ca\n0.750000 0.721783 0.500000 Ca\n0.250000 0.278217 0.500000 Ca\n0.298711 0.812932 0.335183 Nb\n0.701290 0.187068 0.664817 Nb\n0.201289 0.812932 0.664817 Nb\n0.701290 0.687068 0.835183 Nb\n0.298711 0.312932 0.164817 Nb\n0.798711 0.187068 0.335183 Nb\n0.798711 0.687068 0.164817 Nb\n0.201289 0.312932 0.835183 Nb\n0.093004 0.094925 0.912361 O\n0.007139 0.929595 0.401522 O\n0.507139 0.570405 0.098478 O\n0.492862 0.929595 0.598478 O\n0.992862 0.570405 0.901522 O\n0.593004 0.405075 0.587639 O\n0.876227 0.362871 0.757437 O\n0.406996 0.594925 0.412361 O\n0.376227 0.137129 0.742563 O\n0.623773 0.362871 0.242563 O\n0.123773 0.137129 0.257437 O\n0.123773 0.637129 0.242563 O\n0.623773 0.862870 0.257437 O\n0.376227 0.637129 0.757437 O\n0.406996 0.094925 0.087639 O\n0.876227 0.862870 0.742563 O\n0.492862 0.429595 0.901522 O\n0.507139 0.070405 0.401522 O\n0.007139 0.429595 0.098478 O\n0.593004 0.905075 0.912361 O\n0.093004 0.594925 0.587639 O\n0.906996 0.905075 0.087639 O\n0.992862 0.070405 0.598478 O\n0.906996 0.405075 0.412361 O\n",
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{
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"created_at": "2022-09-04T14:38:06.424899Z",
"updated_at": "2022-09-04T14:38:06.424926Z",
"structure_string": "Li2 Mn1 Co3 O8\n1.0\n5.635863 0.017271 -0.033676\n2.832890 4.906708 -0.000000\n-0.038777 -3.248750 4.742495\nLi Mn Co O\n2 1 3 8\ndirect\n0.499999 -0.000000 0.500000 Li\n0.499999 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.500000 0.000000 Co\n0.500000 -0.000000 -0.000000 Co\n0.500000 0.500000 -0.000000 Co\n0.238485 0.023185 0.786133 O\n0.238485 0.524462 0.786133 O\n0.272305 0.464048 0.200399 O\n0.729891 0.031368 0.792627 O\n0.270108 0.968632 0.207374 O\n0.727694 0.535953 0.799602 O\n0.761514 0.475538 0.213868 O\n0.761514 0.976815 0.213868 O\n",
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{
"id": "jvasp-10902",
"created_at": "2022-09-04T14:37:11.116702Z",
"updated_at": "2022-09-04T14:37:11.116718Z",
"structure_string": "Ca1 V4 S8\n1.0\n6.931081 0.128161 0.090623\n3.576531 6.194732 0.000000\n3.576531 2.064911 5.840451\nCa V S\n1 4 8\ndirect\n0.500000 -0.000000 -0.000000 Ca\n0.000000 0.500000 0.500000 V\n0.500000 0.500000 -0.000000 V\n0.500000 0.500000 0.500000 V\n0.500000 -0.000000 0.500000 V\n0.243779 0.264295 0.264294 S\n0.243779 0.264294 0.727632 S\n0.243779 0.727632 0.264294 S\n0.731487 0.256170 0.256170 S\n0.268513 0.743829 0.743829 S\n0.756221 0.735705 0.272367 S\n0.756221 0.272367 0.735705 S\n0.756221 0.735705 0.735705 S\n",
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],
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"formula_anonymous": "AB4C8",
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{
"id": "jvasp-112512",
"created_at": "2022-09-04T14:38:40.518603Z",
"updated_at": "2022-09-04T14:38:40.518620Z",
"structure_string": "Li4 Mn3 Cr1 O8\n1.0\n5.280825 0.064115 2.849593\n2.195348 4.803298 2.849593\n0.027637 0.017993 5.767849\nLi Mn Cr O\n4 3 1 8\ndirect\n0.500000 0.500000 -0.000000 Li\n0.500000 -0.000001 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.000001 0.500000 0.500000 Li\n0.000000 0.500000 -0.000000 Mn\n0.500000 0.499999 0.500000 Mn\n0.500000 -0.000000 0.000000 Mn\n0.000000 -0.000000 0.500000 Cr\n0.758866 0.758865 0.217336 O\n0.751089 0.263342 0.726787 O\n0.230958 0.230958 0.252043 O\n0.241135 0.241134 0.782663 O\n0.263343 0.751088 0.726787 O\n0.248912 0.736657 0.273212 O\n0.769042 0.769041 0.747956 O\n0.736657 0.248911 0.273213 O\n",
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],
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}
]
}