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"results": [
{
"id": "jvasp-43512",
"created_at": "2022-09-04T14:37:17.621241Z",
"updated_at": "2022-09-04T14:37:17.621261Z",
"structure_string": "Li2 V2 F8\n1.0\n0.000000 3.089164 -0.003335\n6.605259 0.000000 0.000000\n0.000000 -0.007368 -6.432537\nLi V F\n2 2 8\ndirect\n-0.000145 0.500000 0.754232 Li\n0.000148 0.000000 0.254261 Li\n0.499871 0.500000 0.254255 V\n0.500126 0.000000 0.754214 V\n0.000117 0.808476 0.754200 F\n0.000117 0.191524 0.754200 F\n0.500084 0.000000 0.459472 F\n0.499942 0.500000 0.548993 F\n0.500141 0.000000 0.048952 F\n0.499829 0.500000 0.959513 F\n-0.000118 0.308475 0.254259 F\n-0.000118 0.691525 0.254259 F\n",
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"formula_full": "Li2 V2 F8",
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{
"id": "jvasp-12535",
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"updated_at": "2022-09-04T14:38:10.946367Z",
"structure_string": "K4 Zn2 Br8\n1.0\n0.000000 7.238563 -0.047501\n7.365834 0.000000 0.000000\n0.000000 -2.908304 -8.498867\nK Zn Br\n4 2 8\ndirect\n0.230612 0.750000 0.429380 K\n0.769388 0.250000 0.570620 K\n0.283072 0.750000 0.948663 K\n0.716928 0.250000 0.051337 K\n0.718092 0.750000 0.796728 Zn\n0.281908 0.250000 0.203272 Zn\n0.899851 0.750000 0.075590 Br\n0.100149 0.250000 0.924410 Br\n0.916857 0.750000 0.624831 Br\n0.083143 0.250000 0.375169 Br\n0.493440 0.005715 0.736570 Br\n0.506561 0.505715 0.263430 Br\n0.506561 0.994284 0.263430 Br\n0.493440 0.494284 0.736570 Br\n",
"nsites": 14,
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"Br"
],
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"formula_full": "K4 Zn2 Br8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 11
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{
"id": "jvasp-23698",
"created_at": "2022-09-04T14:37:36.543687Z",
"updated_at": "2022-09-04T14:37:36.543726Z",
"structure_string": "Na30 Pb8\n1.0\n10.779961 0.000000 -3.811292\n-5.389981 9.335720 -3.811292\n-0.000000 -0.000000 11.433876\nNa Pb\n30 8\ndirect\n0.250000 0.625000 0.375000 Na\n0.886600 0.470052 0.161918 Na\n0.029948 0.916548 0.691865 Na\n0.338083 0.808135 0.724683 Na\n0.613400 0.775318 0.583452 Na\n0.775318 0.583452 0.613401 Na\n0.583452 0.613400 0.775318 Na\n0.386600 0.661917 0.970053 Na\n0.191865 0.416548 0.529948 Na\n0.308135 0.838083 0.224683 Na\n0.083452 0.275318 0.113400 Na\n0.275318 0.113400 0.083452 Na\n0.416548 0.529948 0.191865 Na\n0.224682 0.308135 0.838083 Na\n0.661917 0.970052 0.386600 Na\n0.970052 0.386600 0.661918 Na\n0.838083 0.224682 0.308135 Na\n0.375000 0.250000 0.625000 Na\n0.125000 0.750000 0.875000 Na\n0.875000 0.125000 0.750000 Na\n0.529947 0.191865 0.416549 Na\n0.750000 0.875000 0.125000 Na\n0.113400 0.083452 0.275318 Na\n0.625000 0.375000 0.250000 Na\n0.161917 0.886600 0.470053 Na\n0.470052 0.161917 0.886600 Na\n0.724682 0.338083 0.808136 Na\n0.808135 0.724682 0.338083 Na\n0.691865 0.029948 0.916549 Na\n0.916548 0.691865 0.029948 Na\n0.084269 0.500000 0.000000 Pb\n0.415731 0.415731 0.415731 Pb\n0.584269 0.500000 0.000000 Pb\n0.000000 0.584269 0.500000 Pb\n0.500000 -0.000000 0.584269 Pb\n0.000000 0.084269 0.500000 Pb\n0.500000 -0.000000 0.084269 Pb\n0.915731 0.915731 0.915732 Pb\n",
"nsites": 38,
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"elements": [
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],
"chemical_system": "Na-Pb",
"density": 3.3873332894469588,
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"volume": 1150.6903880956324,
"volume_molar": 18.23584075866033,
"formula_full": "Na30 Pb8",
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"formula_anonymous": "A4B15",
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"spacegroup": 220
},
{
"id": "jvasp-59897",
"created_at": "2022-09-04T14:37:15.535129Z",
"updated_at": "2022-09-04T14:37:15.535154Z",
"structure_string": "Mg2 Mn4 S8\n1.0\n7.023806 0.002119 0.002678\n3.510642 6.200919 -0.000032\n3.508587 1.879520 5.909955\nMg Mn S\n2 4 8\ndirect\n0.000001 -0.000004 0.999998 Mg\n-0.000008 0.500003 0.500015 Mg\n-0.000002 -0.000002 0.500007 Mn\n0.499991 0.000010 0.000010 Mn\n0.499998 0.999996 0.500009 Mn\n0.500003 0.499998 0.499993 Mn\n0.746312 0.225079 0.282211 S\n0.758702 0.238552 0.738483 S\n0.746398 0.782215 0.725086 S\n0.735747 0.761518 0.261457 S\n0.253593 0.217788 0.274938 S\n0.241290 0.761451 0.261525 S\n0.264250 0.238480 0.738554 S\n0.253692 0.774909 0.717795 S\n",
"nsites": 14,
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"elements": [
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"Mn",
"S"
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"density": 3.3871947265021713,
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"volume": 257.3183520961101,
"volume_molar": 11.0686238318144,
"formula_full": "Mg2 Mn4 S8",
"formula_reduced": "Mg(MnS2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 74
},
{
"id": "jvasp-42455",
"created_at": "2022-09-04T14:36:34.383447Z",
"updated_at": "2022-09-04T14:36:34.383462Z",
"structure_string": "Li2 V2 F8\n1.0\n3.301662 3.217001 -0.000000\n-3.301662 3.217001 -0.000000\n0.000000 0.000000 6.179143\nLi V F\n2 2 8\ndirect\n0.499953 0.499953 0.750000 Li\n0.500047 0.500047 0.250000 Li\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.191507 0.808404 0.250000 F\n0.191594 0.808493 0.750000 F\n0.705307 0.705307 0.500041 F\n0.705307 0.705307 -0.000042 F\n0.294692 0.294692 0.000042 F\n0.294692 0.294692 0.499958 F\n0.808404 0.191507 0.250000 F\n0.808493 0.191594 0.750000 F\n",
"nsites": 12,
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"elements": [
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"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.3871945203974474,
"density_atomic": 0.09141957484614069,
"volume": 131.2629162867583,
"volume_molar": 6.587364653724624,
"formula_full": "Li2 V2 F8",
"formula_reduced": "LiVF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.316717555,
"spacegroup": 65
},
{
"id": "jvasp-70953",
"created_at": "2022-09-04T14:36:15.642302Z",
"updated_at": "2022-09-04T14:36:15.642326Z",
"structure_string": "Ca1 Be2 Cr1\n1.0\n4.520763 0.000000 0.000000\n0.000000 4.520763 0.000000\n-0.000000 0.000000 2.641007\nCa Be Cr\n1 2 1\ndirect\n0.500000 0.500000 0.500001 Ca\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.000000 0.500001 Cr\n",
"nsites": 4,
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"elements": [
"Ca",
"Be",
"Cr"
],
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"density": 3.3871725848208754,
"density_atomic": 0.07410831850025983,
"volume": 53.975047348915034,
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"formula_full": "Ca1 Be2 Cr1",
"formula_reduced": "CaBe2Cr",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-20499",
"created_at": "2022-09-04T14:38:15.880518Z",
"updated_at": "2022-09-04T14:38:15.880529Z",
"structure_string": "Ba1 Al4\n1.0\n4.306735 0.000000 -1.622567\n-0.611303 4.263130 -1.622567\n0.006186 0.007136 6.543327\nBa Al\n1 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750002 0.250000 0.500000 Al\n0.250001 0.750000 0.500000 Al\n0.380854 0.380853 0.761707 Al\n0.619149 0.619147 0.238293 Al\n",
"nsites": 5,
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"elements": [
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"Al"
],
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"density": 3.387099534743015,
"density_atomic": 0.04158476620474798,
"volume": 120.2363378786802,
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"formula_full": "Ba1 Al4",
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"spacegroup": 139
},
{
"id": "jvasp-20233",
"created_at": "2022-09-04T14:37:49.032145Z",
"updated_at": "2022-09-04T14:37:49.032176Z",
"structure_string": "Ba1 Al4\n1.0\n4.306735 0.000000 -1.622567\n-0.611303 4.263130 -1.622567\n0.006186 0.007136 6.543327\nBa Al\n1 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750002 0.250000 0.500000 Al\n0.250001 0.750000 0.500000 Al\n0.380854 0.380853 0.761707 Al\n0.619149 0.619147 0.238293 Al\n",
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},
{
"id": "jvasp-48160",
"created_at": "2022-09-04T14:37:05.238825Z",
"updated_at": "2022-09-04T14:37:05.238852Z",
"structure_string": "Li4 Mn2 F8\n1.0\n5.693320 -0.028485 0.030148\n-1.692316 5.436009 -0.032047\n-2.025152 -2.684272 4.595913\nLi Mn F\n4 2 8\ndirect\n0.516804 0.752006 0.763191 Li\n0.990490 0.751722 0.236610 Li\n0.503519 0.238700 0.736614 Li\n0.503769 0.765014 0.263171 Li\n0.143945 0.142152 -0.000099 Mn\n0.893925 0.392151 0.499929 Mn\n0.736882 0.033054 0.701914 F\n0.332802 0.033093 0.297910 F\n0.269534 0.461316 0.806059 F\n0.656958 0.461573 0.193733 F\n0.784870 0.581046 0.797890 F\n0.213122 0.517744 0.306041 F\n0.213385 0.905155 0.693774 F\n0.784807 0.985101 0.201929 F\n",
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{
"id": "jvasp-78800",
"created_at": "2022-09-04T14:37:18.011400Z",
"updated_at": "2022-09-04T14:37:18.011416Z",
"structure_string": "Ce1 Mg3\n1.0\n4.709357 0.000000 -0.000000\n0.000000 4.709357 0.000000\n-0.000000 -0.000000 4.709357\nCe Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n",
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},
{
"id": "jvasp-118125",
"created_at": "2022-09-04T14:38:50.804327Z",
"updated_at": "2022-09-04T14:38:50.804340Z",
"structure_string": "Sr2 P1 Cl1\n1.0\n2.203536 1.272212 7.044329\n-2.203536 1.272212 7.044329\n0.000000 -2.544424 7.044329\nSr P Cl\n2 1 1\ndirect\n0.759716 0.759716 0.759716 Sr\n0.240284 0.240284 0.240284 Sr\n0.500000 0.500000 0.500000 P\n0.000000 0.000000 0.000000 Cl\n",
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},
{
"id": "jvasp-20907",
"created_at": "2022-09-04T14:37:45.178192Z",
"updated_at": "2022-09-04T14:37:45.178213Z",
"structure_string": "Rb1 Ca1 F3\n1.0\n4.473079 -0.000000 0.000000\n0.000000 4.473079 -0.000000\n0.000000 0.000000 4.473079\nRb Ca F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n0.000000 0.500000 0.500000 F\n",
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}
]
}