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"results": [
{
"id": "jvasp-50078",
"created_at": "2022-09-04T14:36:45.799458Z",
"updated_at": "2022-09-04T14:36:45.799477Z",
"structure_string": "Li2 Cu2 P2 O8\n1.0\n4.897172 -0.071606 -0.000000\n1.803202 4.553666 -0.000000\n0.000000 0.000000 6.190348\nLi Cu P O\n2 2 2 8\ndirect\n0.327105 0.327106 0.750000 Li\n0.672894 0.672894 0.250000 Li\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.349257 0.349257 0.250000 P\n0.650742 0.650743 0.750000 P\n0.242236 0.242237 0.044014 O\n0.242236 0.242237 0.455986 O\n0.245181 0.691658 0.250000 O\n0.308342 0.754819 0.750000 O\n0.691657 0.245181 0.250000 O\n0.754818 0.308342 0.750000 O\n0.757763 0.757763 0.955987 O\n0.757763 0.757763 0.544014 O\n",
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{
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"structure_string": "Mn2 Ni2 P4 O14\n1.0\n4.511735 -0.007215 -0.002897\n-1.448005 6.391627 0.007667\n0.005433 -0.008442 8.371133\nMn Ni P O\n2 2 4 14\ndirect\n0.538246 0.713491 0.700030 Mn\n0.538242 0.213495 0.200032 Mn\n0.538408 0.713461 0.321490 Ni\n0.538407 0.213459 0.821492 Ni\n0.129488 0.497262 0.998228 P\n0.129489 0.997266 0.498229 P\n0.947163 0.929642 0.998213 P\n0.947163 0.429642 0.498213 P\n0.253187 0.589107 0.506732 O\n0.253191 0.089103 0.006732 O\n0.753810 0.957654 0.851088 O\n0.753808 0.457656 0.351089 O\n0.322912 0.969298 0.351124 O\n0.322912 0.469296 0.851122 O\n0.303960 0.508226 0.154784 O\n0.772661 0.418685 0.654758 O\n0.303962 0.008230 0.654784 O\n0.823511 0.337753 0.006748 O\n0.038250 0.213427 0.456800 O\n0.038250 0.713424 0.956800 O\n0.772661 0.918684 0.154758 O\n0.823512 0.837756 0.506748 O\n",
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{
"id": "jvasp-119259",
"created_at": "2022-09-04T14:38:50.261931Z",
"updated_at": "2022-09-04T14:38:50.261949Z",
"structure_string": "Li6 Fe4 O12\n1.0\n4.923934 0.084689 0.005344\n-1.737807 4.574429 0.005377\n-0.009272 -0.013732 8.457751\nLi Fe O\n6 4 12\ndirect\n0.000018 0.250020 0.249991 Li\n0.000020 0.750023 0.749991 Li\n0.999915 0.750067 0.098944 Li\n0.000044 0.249962 0.598966 Li\n-0.000068 0.250059 0.901034 Li\n0.000065 0.749950 0.401053 Li\n0.500003 0.250014 0.417613 Fe\n0.500004 0.750020 0.582394 Fe\n0.499996 0.749971 0.917609 Fe\n0.499997 0.249976 0.082388 Fe\n0.726566 0.011987 0.435020 O\n0.726566 0.511941 0.935004 O\n0.726586 0.011954 0.064993 O\n0.726577 0.512003 0.564997 O\n0.273432 0.988049 0.564998 O\n0.270513 0.541275 0.749994 O\n0.729485 0.958718 0.750009 O\n0.729477 0.458718 0.250005 O\n0.270521 0.041275 0.249998 O\n0.273414 0.488036 0.435009 O\n0.273434 0.488003 0.064982 O\n0.273426 0.987987 0.935006 O\n",
"nsites": 22,
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"volume": 191.74942803740853,
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"formula_full": "Li6 Fe4 O12",
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{
"id": "jvasp-113154",
"created_at": "2022-09-04T14:38:44.072250Z",
"updated_at": "2022-09-04T14:38:44.072283Z",
"structure_string": "Li6 Fe4 O12\n1.0\n4.805460 0.012231 -0.882113\n-0.415977 8.101285 2.381901\n0.054188 0.034848 4.924398\nLi Fe O\n6 4 12\ndirect\n0.749962 0.249971 0.749975 Li\n0.249970 0.749963 0.249971 Li\n0.226551 0.424457 0.575606 Li\n0.726564 0.924492 0.075494 Li\n0.273416 0.075511 0.924505 Li\n0.773415 0.575487 0.424579 Li\n0.998580 0.833808 0.666173 Fe\n0.001435 0.166200 0.333805 Fe\n0.498579 0.333817 0.166181 Fe\n0.501439 0.666209 0.833807 Fe\n0.853482 0.723507 0.003032 O\n0.353474 0.223503 0.503043 O\n0.408504 0.538528 0.188074 O\n0.908499 0.038529 0.688058 O\n0.646537 0.776508 0.496946 O\n0.645674 0.145625 0.124863 O\n0.354341 0.854391 0.875118 O\n0.854336 0.354387 0.375134 O\n0.145675 0.645622 0.624871 O\n0.591518 0.461486 0.811926 O\n0.146538 0.276514 -0.003059 O\n0.091512 0.961490 0.311904 O\n",
"nsites": 22,
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],
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"formula_full": "Li6 Fe4 O12",
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{
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"created_at": "2022-09-04T14:36:39.470822Z",
"updated_at": "2022-09-04T14:36:39.470842Z",
"structure_string": "Rb3 Ga1 F6\n1.0\n5.535355 -0.000000 3.195839\n1.845118 5.218782 3.195839\n-0.000000 -0.000000 6.391677\nRb Ga F\n3 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Rb\n0.000000 0.000000 0.000000 Ga\n0.787660 0.212340 0.212340 F\n0.212340 0.212340 0.787661 F\n0.212340 0.787660 0.787661 F\n0.212340 0.787660 0.212340 F\n0.787660 0.212340 0.787661 F\n0.787660 0.787660 0.212340 F\n",
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"density_atomic": 0.054158988590571916,
"volume": 184.64155738943796,
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"formula_full": "Rb3 Ga1 F6",
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"formula_anonymous": "AB3C6",
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{
"id": "jvasp-58384",
"created_at": "2022-09-04T14:37:30.198633Z",
"updated_at": "2022-09-04T14:37:30.198665Z",
"structure_string": "Ti6 O10\n1.0\n3.788459 -0.000000 -0.000000\n-1.894229 4.938359 0.000000\n-0.000000 0.000000 10.026984\nTi O\n6 10\ndirect\n0.301490 0.602980 0.250000 Ti\n0.698510 0.397021 0.750000 Ti\n0.630749 0.261498 0.057939 Ti\n0.369251 0.738502 0.942061 Ti\n0.369251 0.738502 0.557938 Ti\n0.630749 0.261498 0.442061 Ti\n0.266936 0.533870 0.750000 O\n0.733064 0.466130 0.250000 O\n0.551134 0.102267 0.876883 O\n0.448866 0.897734 0.123117 O\n0.448866 0.897734 0.376883 O\n0.551134 0.102267 0.623117 O\n0.182757 0.365515 0.432011 O\n0.817243 0.634485 0.567989 O\n0.817243 0.634485 0.932010 O\n0.182757 0.365515 0.067989 O\n",
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"volume": 187.59254345364752,
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"formula_full": "Ti6 O10",
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},
{
"id": "jvasp-49599",
"created_at": "2022-09-04T14:37:27.428921Z",
"updated_at": "2022-09-04T14:37:27.428942Z",
"structure_string": "Ti4 Al4 O14\n1.0\n5.864161 -0.000000 3.385676\n1.954721 5.528784 3.385676\n-0.000000 -0.000000 6.771349\nTi Al O\n4 4 14\ndirect\n0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500001 Al\n0.500000 0.500000 0.000001 Al\n0.500000 0.500000 0.500001 Al\n0.651837 0.098163 0.098163 O\n0.098163 0.098163 0.651838 O\n0.651837 0.651837 0.098164 O\n0.901837 0.348162 0.348164 O\n0.348163 0.901837 0.348164 O\n0.348163 0.348162 0.901838 O\n0.348163 0.901837 0.901839 O\n0.901837 0.348162 0.901838 O\n0.098163 0.651837 0.651838 O\n0.651837 0.098163 0.651838 O\n0.375000 0.375000 0.375001 O\n0.625000 0.625000 0.625001 O\n0.901837 0.901837 0.348164 O\n0.098163 0.651837 0.098163 O\n",
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"volume": 219.5385071298758,
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"formula_full": "Ti4 Al4 O14",
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"spacegroup": 227
},
{
"id": "jvasp-21260",
"created_at": "2022-09-04T14:38:09.552311Z",
"updated_at": "2022-09-04T14:38:09.552330Z",
"structure_string": "Na4 B4 Se14\n1.0\n6.388181 0.000000 2.040320\n2.820555 7.354564 2.189687\n-0.018086 0.040392 11.077386\nNa B Se\n4 4 14\ndirect\n0.672848 0.181807 0.034883 Na\n0.889537 0.318192 0.465118 Na\n0.327153 0.818192 0.965118 Na\n0.110463 0.681807 0.534883 Na\n0.835748 0.614180 0.150239 B\n0.600168 0.885819 0.349761 B\n0.164253 0.385819 0.849761 B\n0.399833 0.114180 0.650240 B\n0.913278 0.901236 0.275406 Se\n0.089920 0.598763 0.224595 Se\n0.630282 0.854165 0.669610 Se\n0.154057 0.645834 0.830391 Se\n0.369718 0.145834 0.330391 Se\n0.845944 0.354165 0.169609 Se\n0.197986 0.218352 0.022373 Se\n0.802014 0.781647 0.977628 Se\n0.438710 0.281648 0.477628 Se\n0.910080 0.401236 0.775406 Se\n0.482422 0.250000 0.750000 Se\n0.517578 0.749999 0.250000 Se\n0.561290 0.718351 0.522373 Se\n0.086723 0.098763 0.724595 Se\n",
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},
{
"id": "jvasp-105680",
"created_at": "2022-09-04T14:36:04.895449Z",
"updated_at": "2022-09-04T14:36:04.895467Z",
"structure_string": "Rb2 Na1 Pr1 F6\n1.0\n5.571222 0.000000 3.216546\n1.857074 5.252599 3.216546\n-0.000000 0.000000 6.433093\nRb Na Pr F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750000 0.750001 Rb\n0.499999 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Pr\n0.251914 0.251914 0.748086 F\n0.251913 0.748086 0.748086 F\n0.748085 0.748086 0.251915 F\n0.251913 0.748086 0.251915 F\n0.748086 0.251914 0.748086 F\n0.748086 0.251914 0.251915 F\n",
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},
{
"id": "jvasp-113474",
"created_at": "2022-09-04T14:38:45.039640Z",
"updated_at": "2022-09-04T14:38:45.039669Z",
"structure_string": "Ba2 I1\n1.0\n4.285590 0.000000 0.000000\n0.000000 4.102272 0.000000\n0.000000 0.000000 9.580304\nBa I\n2 1\ndirect\n-0.033335 0.000000 0.713992 Ba\n-0.033335 0.000000 0.286008 Ba\n0.466669 0.000000 0.000000 I\n",
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},
{
"id": "jvasp-12835",
"created_at": "2022-09-04T14:37:13.015989Z",
"updated_at": "2022-09-04T14:37:13.016005Z",
"structure_string": "Na4 B4 Se14\n1.0\n6.388333 0.000000 2.040369\n2.820497 7.354333 2.190133\n-0.017909 0.041082 11.077096\nNa B Se\n4 4 14\ndirect\n0.672875 0.181759 0.034873 Na\n0.889507 0.318241 0.465127 Na\n0.327125 0.818240 0.965127 Na\n0.110493 0.681759 0.534873 Na\n0.835737 0.614170 0.150248 B\n0.600155 0.885830 0.349752 B\n0.164263 0.385830 0.849753 B\n0.399845 0.114170 0.650248 B\n0.913252 0.901245 0.275387 Se\n0.089884 0.598755 0.224613 Se\n0.630304 0.854150 0.669618 Se\n0.154073 0.645849 0.830382 Se\n0.369697 0.145849 0.330382 Se\n0.845927 0.354151 0.169618 Se\n0.197965 0.218351 0.022386 Se\n0.802035 0.781648 0.977614 Se\n0.438702 0.281649 0.477614 Se\n0.910117 0.401245 0.775387 Se\n0.482425 0.250000 0.750000 Se\n0.517576 0.750000 0.250000 Se\n0.561298 0.718351 0.522386 Se\n0.086748 0.098755 0.724614 Se\n",
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{
"id": "jvasp-66538",
"created_at": "2022-09-04T14:36:02.233097Z",
"updated_at": "2022-09-04T14:36:02.233119Z",
"structure_string": "Ba1 Ca1 Sb1\n1.0\n-0.000000 3.973533 3.973533\n3.973533 -0.000000 3.973533\n3.973533 3.973533 0.000000\nBa Ca Sb\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Sb\n",
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}
]
}