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{
"id": "jvasp-48234",
"created_at": "2022-09-04T14:37:40.707352Z",
"updated_at": "2022-09-04T14:37:40.707378Z",
"structure_string": "Li4 Cr4 Si4 O16\n1.0\n4.737054 0.000000 0.000000\n0.000000 5.707988 0.000000\n0.000000 0.000000 10.074709\nLi Cr Si O\n4 4 4 16\ndirect\n-0.000012 0.256415 0.500080 Li\n0.500011 0.256415 0.000080 Li\n0.499988 0.756415 0.999920 Li\n0.000012 0.756415 0.499920 Li\n0.001876 0.006551 0.231961 Cr\n0.498123 0.006551 0.731961 Cr\n0.501876 0.506551 0.268039 Cr\n-0.001876 0.506551 0.768039 Cr\n0.941225 0.006549 0.907926 Si\n0.558774 0.006549 0.407926 Si\n0.441225 0.506549 0.592074 Si\n0.058774 0.506549 0.092074 Si\n0.777582 0.226776 0.828002 O\n0.782657 0.506536 0.598883 O\n0.717341 0.506536 0.098883 O\n0.722416 0.226776 0.328002 O\n0.722433 0.786312 0.328011 O\n0.690134 0.006554 0.558081 O\n0.309865 0.506554 0.441919 O\n0.222433 0.286312 0.171989 O\n0.277583 0.726776 0.671998 O\n0.282658 0.006536 0.901117 O\n0.217342 0.006536 0.401117 O\n0.222417 0.726776 0.171998 O\n0.777566 0.786312 0.828011 O\n0.190135 0.506554 0.941920 O\n0.277566 0.286312 0.671989 O\n0.809865 0.006554 0.058081 O\n",
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{
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"structure_string": "Mn2 Sn1 S4\n1.0\n0.000000 0.000000 -3.663977\n-3.637354 -5.140186 0.000000\n-3.637354 5.140186 0.000000\nMn Sn S\n2 1 4\ndirect\n0.500000 -0.000000 0.500000 Mn\n0.500000 0.500000 -0.000000 Mn\n0.000000 0.000000 0.000000 Sn\n0.000000 0.251303 0.748696 S\n0.000000 0.748696 0.251303 S\n0.500000 0.745714 0.745714 S\n0.500000 0.254285 0.254285 S\n",
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"formula_full": "Mn2 Sn1 S4",
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{
"id": "jvasp-8473",
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"updated_at": "2022-09-04T14:36:36.980824Z",
"structure_string": "Mn2 Sn1 S4\n1.0\n3.664078 0.000000 0.000000\n0.000000 5.937892 -2.096893\n0.000000 0.002283 6.297263\nMn Sn S\n2 1 4\ndirect\n0.500000 -0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Sn\n0.000000 0.748711 0.251288 S\n0.000000 0.251288 0.748712 S\n0.500000 0.745738 0.745738 S\n0.500000 0.254261 0.254262 S\n",
"nsites": 7,
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},
{
"id": "jvasp-47766",
"created_at": "2022-09-04T14:38:07.012313Z",
"updated_at": "2022-09-04T14:38:07.012337Z",
"structure_string": "Li4 Cr4 Si4 O16\n1.0\n5.655344 0.000000 -0.000000\n0.000000 5.655344 0.000000\n-0.000000 0.000000 7.984505\nLi Cr Si O\n4 4 4 16\ndirect\n0.000000 0.221540 0.000000 Li\n0.000000 0.778459 0.500000 Li\n0.221540 0.000000 0.250000 Li\n0.778459 0.000000 0.750000 Li\n0.234763 0.500000 0.250000 Cr\n0.500000 0.234763 0.000000 Cr\n0.500000 0.765237 0.500000 Cr\n0.765237 0.500000 0.750000 Cr\n0.745088 0.745088 0.125000 Si\n0.745088 0.254911 0.375000 Si\n0.254911 0.745088 0.875001 Si\n0.254911 0.254911 0.625000 Si\n0.739681 0.987198 0.010343 O\n0.739681 0.012802 0.489657 O\n0.739933 0.503332 0.999575 O\n0.739933 0.496667 0.500426 O\n0.496667 0.739933 0.749575 O\n0.496667 0.260066 0.750426 O\n0.503332 0.739933 0.250426 O\n0.987198 0.739681 0.239657 O\n0.260066 0.503332 0.000425 O\n0.260066 0.496667 0.499575 O\n0.260319 0.012802 0.510343 O\n0.260319 0.987198 0.989658 O\n0.012802 0.260319 0.739658 O\n0.987198 0.260319 0.260343 O\n0.503332 0.260066 0.249575 O\n0.012802 0.739681 0.760343 O\n",
"nsites": 28,
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{
"id": "jvasp-75036",
"created_at": "2022-09-04T14:35:56.840319Z",
"updated_at": "2022-09-04T14:35:56.840346Z",
"structure_string": "Be2 Ge1 Os1\n1.0\n-1.764136 1.764136 3.747453\n1.764136 -1.764136 3.747453\n1.764136 1.764136 -3.747453\nBe Ge Os\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.500000 0.500000 0.000000 Ge\n0.750001 0.250000 0.500001 Os\n",
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},
{
"id": "jvasp-73251",
"created_at": "2022-09-04T14:36:18.333080Z",
"updated_at": "2022-09-04T14:36:18.333109Z",
"structure_string": "Hf1 Be2 Se1\n1.0\n3.237720 0.000000 0.000000\n0.000000 3.237720 -0.000000\n-0.000000 -0.000000 5.515022\nHf Be Se\n1 2 1\ndirect\n0.000000 0.000000 0.498994 Hf\n0.000000 0.000000 0.030565 Be\n0.500000 0.500000 0.190967 Be\n0.500000 0.500000 0.779474 Se\n",
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"formula_full": "Hf1 Be2 Se1",
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"spacegroup": 99
},
{
"id": "jvasp-45803",
"created_at": "2022-09-04T14:38:07.943106Z",
"updated_at": "2022-09-04T14:38:07.943136Z",
"structure_string": "Li8 Ti1 Mn3 O12\n1.0\n4.890272 -0.001057 -0.000212\n0.004822 4.902837 -0.000169\n0.000061 0.000487 8.362322\nLi Ti Mn O\n8 1 3 12\ndirect\n0.001066 0.499683 0.923456 Li\n0.000853 0.499720 0.231954 Li\n0.000745 0.999698 0.561372 Li\n0.000839 0.999714 0.253104 Li\n0.500950 0.499606 0.756598 Li\n0.500744 -0.000403 0.727333 Li\n0.500786 0.999709 0.416772 Li\n0.500920 0.499717 0.069962 Li\n0.000803 0.999696 0.900594 Ti\n0.500863 0.499712 0.403056 Mn\n0.500837 0.999718 0.085870 Mn\n0.000873 0.499706 0.579687 Mn\n0.825484 0.284325 0.417768 O\n0.142031 0.743635 0.740160 O\n0.176234 0.715099 0.417775 O\n0.180502 0.780098 0.071783 O\n0.326705 0.282867 0.567220 O\n0.332362 0.220987 0.921046 O\n0.349942 0.248012 0.245394 O\n0.651766 0.751426 0.245403 O\n0.669318 0.778419 0.921050 O\n0.675015 0.716538 0.567227 O\n0.821195 0.219326 0.071779 O\n0.859686 0.255764 0.740151 O\n",
"nsites": 24,
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"density": 3.811448777418948,
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"volume": 200.49680219234287,
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"formula_full": "Li8 Ti1 Mn3 O12",
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{
"id": "jvasp-119367",
"created_at": "2022-09-04T14:38:48.235888Z",
"updated_at": "2022-09-04T14:38:48.235912Z",
"structure_string": "Li6 Co6 Sb2 O16\n1.0\n5.898931 0.018508 0.045183\n-0.002951 5.846345 -0.007123\n0.033449 0.002313 8.313443\nLi Co Sb O\n6 6 2 16\ndirect\n0.500003 0.999988 -0.000002 Li\n-0.000002 0.500012 0.500002 Li\n0.750088 0.250018 0.749966 Li\n0.249912 0.749983 0.250034 Li\n0.250095 0.249992 0.249946 Li\n0.749905 0.750009 0.750053 Li\n0.749997 0.750011 0.249997 Co\n0.249981 0.749986 0.749993 Co\n0.250003 0.249990 0.750002 Co\n0.500000 -0.000002 0.500002 Co\n-0.000000 0.500002 -0.000002 Co\n0.750019 0.250015 0.250007 Co\n0.000002 0.000001 -0.000001 Sb\n0.499998 0.499999 0.500000 Sb\n0.267542 0.250451 0.507815 O\n0.266700 0.749928 0.508302 O\n0.766723 0.249962 0.008317 O\n0.732457 0.749537 0.492218 O\n0.232473 0.249533 0.992189 O\n0.767530 0.750480 0.007778 O\n0.483583 0.500740 0.741073 O\n0.531742 0.000202 0.265912 O\n0.016398 0.999256 0.758930 O\n0.516390 0.499213 0.258931 O\n0.968281 0.499841 0.234090 O\n0.468266 0.999788 0.734094 O\n0.031712 0.500170 0.765904 O\n0.733303 0.250065 0.491693 O\n0.983631 0.000792 0.241066 O\n0.233275 0.750046 0.991687 O\n",
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{
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"created_at": "2022-09-04T14:37:43.220672Z",
"updated_at": "2022-09-04T14:37:43.220695Z",
"structure_string": "Al2 Co1 Ir1\n1.0\n0.000001 2.950662 2.950663\n2.950663 0.000001 2.950662\n2.950663 2.950662 0.000001\nAl Co Ir\n2 1 1\ndirect\n0.500000 0.499999 0.499999 Al\n0.000000 0.000000 0.000000 Al\n0.249999 0.249999 0.249999 Co\n0.750000 0.750000 0.750000 Ir\n",
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},
{
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"created_at": "2022-09-04T14:37:31.950681Z",
"updated_at": "2022-09-04T14:37:31.950704Z",
"structure_string": "V12 Ga10\n1.0\n4.233439 -7.332531 -0.000000\n4.233439 7.332531 0.000000\n-0.000000 0.000000 5.109173\nV Ga\n12 10\ndirect\n0.156428 0.843572 0.250000 V\n0.500000 0.000000 0.500000 V\n0.500000 0.000000 0.000000 V\n0.687145 0.843572 0.250000 V\n0.000000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.500000 0.500000 0.500000 V\n0.312856 0.156428 0.750000 V\n0.156428 0.312856 0.250000 V\n0.000000 0.500000 0.000000 V\n0.843572 0.687145 0.750000 V\n0.843572 0.156428 0.750000 V\n0.666667 0.333333 0.750000 Ga\n0.000000 0.000000 0.000000 Ga\n0.797481 0.594961 0.250000 Ga\n0.594961 0.797481 0.750000 Ga\n0.202519 0.797481 0.750000 Ga\n0.405039 0.202519 0.250000 Ga\n0.000000 0.000000 0.500000 Ga\n0.797481 0.202519 0.250000 Ga\n0.202519 0.405039 0.750000 Ga\n0.333333 0.666667 0.250000 Ga\n",
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{
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"structure_string": "Ba2 Ga1 P4 H1 O14\n1.0\n4.812250 0.028956 -0.002488\n-2.024099 7.308031 0.013699\n-1.078113 -3.069548 7.975356\nBa Ga P H O\n2 1 4 1 14\ndirect\n0.144707 0.475161 0.740851 Ba\n0.855294 0.524839 0.259150 Ba\n0.000000 0.000000 0.000000 Ga\n0.456313 0.814811 0.138574 P\n0.626536 0.828159 0.624593 P\n0.373465 0.171841 0.375407 P\n0.543688 0.185189 0.861427 P\n0.000000 -0.000000 0.500000 H\n0.579978 0.041547 0.688131 O\n0.783803 0.865018 0.133452 O\n0.845956 0.850859 0.510811 O\n0.655912 0.391088 0.860140 O\n0.750815 0.792725 0.782894 O\n0.249186 0.207276 0.217106 O\n0.420022 0.958453 0.311869 O\n0.154045 0.149142 0.489190 O\n0.216198 0.134982 0.866548 O\n0.664384 0.329921 0.469050 O\n0.335617 0.670079 0.530950 O\n0.265366 0.839599 0.994158 O\n0.344089 0.608912 0.139860 O\n0.734635 0.160401 0.005842 O\n",
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"formula_full": "Ba2 Ga1 P4 H1 O14",
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},
{
"id": "jvasp-44428",
"created_at": "2022-09-04T14:38:02.084944Z",
"updated_at": "2022-09-04T14:38:02.084969Z",
"structure_string": "Li2 Ti2 V2 O8\n1.0\n5.823155 -0.000000 -0.000000\n2.911578 5.143058 -0.011102\n2.911578 1.703886 4.852621\nLi Ti V O\n2 2 2 8\ndirect\n0.127665 0.122335 0.122334 Li\n0.872334 0.877667 0.877666 Li\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n-0.000000 0.500001 0.500000 V\n0.500000 0.500001 0.500000 V\n0.263270 0.259248 0.259248 O\n0.262808 0.258467 0.715915 O\n0.262808 0.715916 0.258467 O\n0.718232 0.259248 0.259248 O\n0.281767 0.740753 0.740752 O\n0.737191 0.741534 0.284084 O\n0.737191 0.284084 0.741534 O\n0.736729 0.740753 0.740752 O\n",
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}
]
}