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{
"id": "jvasp-35267",
"created_at": "2022-09-04T14:38:03.020727Z",
"updated_at": "2022-09-04T14:38:03.020751Z",
"structure_string": "Na8 Zn4 S8\n1.0\n0.000000 6.853022 0.031372\n7.055452 0.000000 0.000000\n0.000000 -0.529329 -8.799031\nNa Zn S\n8 4 8\ndirect\n0.546607 0.674967 0.678225 Na\n0.953392 0.174967 0.321775 Na\n0.453392 0.325033 0.321775 Na\n0.046607 0.825033 0.678225 Na\n0.512219 0.764262 0.052873 Na\n0.987781 0.264263 0.947127 Na\n0.487781 0.235737 0.947127 Na\n0.012219 0.735737 0.052873 Na\n0.344237 0.903463 0.370420 Zn\n0.155762 0.403463 0.629580 Zn\n0.655762 0.096536 0.629580 Zn\n0.844237 0.596536 0.370420 Zn\n0.302624 0.106654 0.591571 S\n0.197375 0.606654 0.408429 S\n0.697375 0.893346 0.408430 S\n0.802624 0.393346 0.591571 S\n0.246252 0.044452 0.143656 S\n0.253748 0.544452 0.856344 S\n0.753748 0.955547 0.856344 S\n0.746252 0.455547 0.143657 S\n",
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{
"id": "jvasp-10229",
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"structure_string": "Na4 Zn2 S4\n1.0\n5.357650 -0.000000 -2.477066\n-1.345240 5.557925 -2.909623\n0.016884 0.001447 7.069088\nNa Zn S\n4 2 4\ndirect\n0.141681 0.490033 0.283362 Na\n0.858318 0.509967 0.716637 Na\n0.358318 0.206671 0.716638 Na\n0.641681 0.793329 0.283362 Na\n0.250000 0.000000 -0.000000 Zn\n0.750000 0.000000 -0.000000 Zn\n0.612663 0.328634 0.225327 S\n0.387336 0.671366 0.774672 S\n0.887336 0.103307 0.774672 S\n0.112663 0.896693 0.225327 S\n",
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"spacegroup": 72
},
{
"id": "jvasp-45318",
"created_at": "2022-09-04T14:37:07.448452Z",
"updated_at": "2022-09-04T14:37:07.448471Z",
"structure_string": "Na12 Zn2 S8\n1.0\n4.461001 -7.726679 0.000000\n4.461001 7.726679 -0.000000\n0.000000 0.000000 6.875901\nNa Zn S\n12 2 8\ndirect\n0.147108 0.852892 0.538394 Na\n0.469835 0.530165 0.865703 Na\n0.530165 0.060331 0.365703 Na\n0.469835 0.939669 0.865703 Na\n0.060331 0.530165 0.865703 Na\n0.530165 0.469835 0.365703 Na\n0.939669 0.469835 0.365703 Na\n0.705784 0.852892 0.538394 Na\n0.147108 0.294216 0.538394 Na\n0.852892 0.705784 0.038394 Na\n0.294216 0.147108 0.038394 Na\n0.852892 0.147108 0.038394 Na\n0.666667 0.333333 0.748863 Zn\n0.333333 0.666667 0.248863 Zn\n0.812880 0.625762 0.640835 S\n0.812880 0.187120 0.640835 S\n0.625762 0.812880 0.140835 S\n0.333333 0.666667 0.595839 S\n0.666667 0.333333 0.095839 S\n0.187120 0.812880 0.140835 S\n0.374238 0.187120 0.640835 S\n0.187120 0.374238 0.140835 S\n",
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"elements": [
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"density": 2.323372195261437,
"density_atomic": 0.04641281175423571,
"volume": 474.00705039147397,
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"formula_full": "Na12 Zn2 S8",
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"formula_anonymous": "AB4C6",
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"spacegroup": 186
},
{
"id": "jvasp-79053",
"created_at": "2022-09-04T14:37:15.065456Z",
"updated_at": "2022-09-04T14:37:15.065483Z",
"structure_string": "Na1 Ta3\n1.0\n-2.359846 2.359846 3.337606\n2.359846 -2.359846 3.337606\n2.359846 2.359846 -3.337606\nNa Ta\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.750001 0.250001 0.500000 Ta\n0.250001 0.750001 0.500000 Ta\n0.500000 0.500000 0.000000 Ta\n",
"nsites": 4,
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"elements": [
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"density": 12.637911221123614,
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"volume": 74.34681767082155,
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"formula_full": "Na1 Ta3",
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"spacegroup": 225
},
{
"id": "jvasp-108661",
"created_at": "2022-09-04T14:37:58.597397Z",
"updated_at": "2022-09-04T14:37:58.597428Z",
"structure_string": "Na1 Tb1 Tl2\n1.0\n4.603843 -0.000000 2.658030\n1.534614 4.340545 2.658030\n-0.000000 -0.000000 5.316060\nTb Na Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.499999 0.499999 0.500001 Na\n0.250000 0.250000 0.250000 Tl\n0.749999 0.749999 0.750001 Tl\n",
"nsites": 4,
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"volume": 106.23182488119933,
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"formula_full": "Na1 Tb1 Tl2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-79052",
"created_at": "2022-09-04T14:37:13.031817Z",
"updated_at": "2022-09-04T14:37:13.031836Z",
"structure_string": "Na1 Tc3\n1.0\n-2.195709 2.195709 3.105603\n2.195709 -2.195709 3.105603\n2.195709 2.195709 -3.105603\nNa Tc\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.750001 0.250001 0.500000 Tc\n0.250001 0.750001 0.500000 Tc\n0.500000 0.500000 0.000000 Tc\n",
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"spacegroup": 225
},
{
"id": "jvasp-1420",
"created_at": "2022-09-04T14:36:20.313327Z",
"updated_at": "2022-09-04T14:36:20.313348Z",
"structure_string": "Na2 Te1\n1.0\n4.454749 -0.000000 2.571951\n1.484916 4.199977 2.571951\n-0.000000 -0.000000 5.143901\nNa Te\n2 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750001 0.750001 0.749999 Na\n0.000000 0.000000 0.000000 Te\n",
"nsites": 3,
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"elements": [
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"Te"
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"density": 2.994917574497954,
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"volume": 96.24158187044556,
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"formula_full": "Na2 Te1",
"formula_reduced": "Na2Te",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-90804",
"created_at": "2022-09-04T14:35:55.906989Z",
"updated_at": "2022-09-04T14:35:55.907014Z",
"structure_string": "Na4 Tl4\n1.0\n4.696805 4.040708 0.000000\n-4.696805 4.040708 0.000000\n0.000000 0.000000 6.258667\nNa Tl\n4 4\ndirect\n0.132638 0.510192 0.250000 Na\n0.489809 0.867363 0.750000 Na\n0.867363 0.489809 0.750000 Na\n0.510192 0.132638 0.250000 Na\n0.000000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.642582 0.642582 0.250000 Tl\n0.357418 0.357418 0.750000 Tl\n",
"nsites": 8,
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"volume": 237.5591911138527,
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"formula_full": "Na4 Tl4",
"formula_reduced": "NaTl",
"formula_anonymous": "AB",
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"spacegroup": 63
},
{
"id": "jvasp-91694",
"created_at": "2022-09-04T14:35:48.160259Z",
"updated_at": "2022-09-04T14:35:48.160285Z",
"structure_string": "Na4 Tl4\n1.0\n-2.637287 -4.567526 0.000000\n-2.637287 4.567526 -0.000000\n0.000000 -0.000000 -10.144078\nNa Tl\n4 4\ndirect\n0.666676 0.333325 0.578141 Na\n0.333325 0.666676 0.421859 Na\n0.333325 0.666676 0.078141 Na\n0.666676 0.333325 0.921860 Na\n0.000001 -0.000001 0.750000 Tl\n-0.000001 0.000001 0.250000 Tl\n0.666671 0.333330 0.250000 Tl\n0.333330 0.666671 0.750000 Tl\n",
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},
{
"id": "jvasp-110832",
"created_at": "2022-09-04T14:38:36.863056Z",
"updated_at": "2022-09-04T14:38:36.863080Z",
"structure_string": "Na1 Tl3\n1.0\n4.420121 0.028367 -4.159508\n-0.806268 4.346056 -4.159508\n-0.023435 -0.028367 6.069467\nNa Tl\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.749999 0.250000 0.500000 Tl\n0.249999 0.750000 0.500000 Tl\n0.500000 0.500001 0.000000 Tl\n",
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},
{
"id": "jvasp-37747",
"created_at": "2022-09-04T14:38:15.538397Z",
"updated_at": "2022-09-04T14:38:15.538426Z",
"structure_string": "Na3 Tl1\n1.0\n4.922280 0.000000 0.000000\n0.000000 4.922280 0.000000\n-0.000000 -0.000000 4.922280\nNa Tl\n3 1\ndirect\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Tl\n",
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"spacegroup": 221
},
{
"id": "jvasp-119087",
"created_at": "2022-09-04T14:38:50.822408Z",
"updated_at": "2022-09-04T14:38:50.822434Z",
"structure_string": "Na4 Tl8\n1.0\n6.970967 -0.000000 4.024690\n2.323656 6.572291 4.024690\n-0.000000 -0.000000 8.049379\nNa Tl\n4 8\ndirect\n0.125000 0.125000 0.125000 Na\n0.125000 0.125000 0.625000 Na\n0.125000 0.625000 0.125000 Na\n0.625000 0.125000 0.125000 Na\n0.398780 0.398779 0.398779 Tl\n0.398780 0.398779 0.803663 Tl\n0.398780 0.803663 0.398779 Tl\n0.851222 0.851221 0.446337 Tl\n0.851222 0.851221 0.851220 Tl\n0.803664 0.398779 0.398779 Tl\n0.851221 0.446337 0.851221 Tl\n0.446338 0.851221 0.851220 Tl\n",
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}
]
}