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"results": [
{
"id": "jvasp-109111",
"created_at": "2022-09-04T14:38:19.369453Z",
"updated_at": "2022-09-04T14:38:19.369472Z",
"structure_string": "Mn3 Sb1 N1\n1.0\n3.858974 -0.000000 0.000000\n0.000000 3.858974 0.000000\n-0.000000 -0.000000 3.858974\nMn Sb N\n3 1 1\ndirect\n-0.000000 0.499999 -0.000000 Mn\n0.499999 0.000000 -0.000000 Mn\n0.000000 0.000000 0.499999 Mn\n0.499999 0.499999 0.499999 Sb\n0.000000 0.000000 0.000000 N\n",
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{
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"structure_string": "Nb8 P20\n1.0\n3.400065 -0.000000 0.000000\n0.000000 7.996370 0.000000\n0.000000 0.000000 16.888933\nNb P\n8 20\ndirect\n0.250000 0.327696 0.773405 Nb\n0.750001 0.672304 0.226595 Nb\n0.750001 0.827696 0.726595 Nb\n0.250000 0.172304 0.273405 Nb\n0.250000 0.336095 0.594644 Nb\n0.750001 0.663905 0.405356 Nb\n0.750001 0.836095 0.905356 Nb\n0.250000 0.163905 0.094644 Nb\n0.250000 0.038671 0.540196 P\n0.750001 0.182341 0.384011 P\n0.250000 0.817659 0.615989 P\n0.250000 0.877634 0.022684 P\n0.750001 0.317659 0.884011 P\n0.750001 0.122366 0.977316 P\n0.750001 0.961329 0.459804 P\n0.250000 0.682341 0.115989 P\n0.750001 0.538671 0.959804 P\n0.750001 0.994718 0.184242 P\n0.250000 0.494718 0.315758 P\n0.750001 0.505282 0.684242 P\n0.250000 0.622366 0.522684 P\n0.250000 0.005282 0.815758 P\n0.750001 0.347030 0.184805 P\n0.250000 0.652970 0.815195 P\n0.250000 0.847030 0.315195 P\n0.750001 0.152970 0.684805 P\n0.250000 0.461329 0.040196 P\n0.750001 0.377634 0.477316 P\n",
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{
"id": "jvasp-117309",
"created_at": "2022-09-04T14:38:26.297185Z",
"updated_at": "2022-09-04T14:38:26.297210Z",
"structure_string": "Hf10 Cu2 Sb6\n1.0\n8.564108 -0.000000 0.000000\n-4.282054 7.416736 0.000000\n-0.000000 0.000000 5.754007\nHf Cu Sb\n10 2 6\ndirect\n0.666667 0.333334 -0.000000 Hf\n0.000001 0.736002 0.250000 Hf\n0.263998 0.263998 0.250000 Hf\n0.000000 0.263998 0.750000 Hf\n0.263998 0.000000 0.750000 Hf\n0.736002 0.000000 0.250000 Hf\n0.666667 0.333334 0.500000 Hf\n0.333334 0.666667 0.500000 Hf\n0.333334 0.666667 -0.000000 Hf\n0.736003 0.736002 0.750000 Hf\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.385319 0.000000 0.250000 Sb\n0.385319 0.385319 0.750000 Sb\n0.614681 0.000000 0.750000 Sb\n0.000000 0.614682 0.750000 Sb\n0.614682 0.614682 0.250000 Sb\n0.000000 0.385319 0.250000 Sb\n",
"nsites": 18,
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"density_atomic": 0.0492501052864736,
"volume": 365.48145217759867,
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"formula_full": "Hf10 Cu2 Sb6",
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"formula_anonymous": "AB3C5",
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"spacegroup": 193
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{
"id": "jvasp-15925",
"created_at": "2022-09-04T14:37:59.328201Z",
"updated_at": "2022-09-04T14:37:59.328221Z",
"structure_string": "Mn3 Pd1 N1\n1.0\n3.777074 0.000000 -0.000000\n0.000000 3.777074 -0.000000\n0.000000 0.000000 3.777074\nMn Pd N\n3 1 1\ndirect\n0.000000 0.499999 0.499999 Mn\n0.499999 0.499999 0.000000 Mn\n0.499999 0.000000 0.499999 Mn\n0.000000 0.000000 0.000000 Pd\n0.499999 0.499999 0.499999 N\n",
"nsites": 5,
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],
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"volume_molar": 6.490040078201375,
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},
{
"id": "jvasp-41201",
"created_at": "2022-09-04T14:37:36.867321Z",
"updated_at": "2022-09-04T14:37:36.867340Z",
"structure_string": "Mn2 Cr1 Co1\n1.0\n-0.000000 2.857586 2.857586\n2.857586 0.000000 2.857586\n2.857586 2.857586 0.000000\nMn Cr Co\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500001 0.500001 Mn\n0.750001 0.750001 0.750001 Cr\n0.250001 0.250001 0.250001 Co\n",
"nsites": 4,
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"spacegroup": 225
},
{
"id": "jvasp-35532",
"created_at": "2022-09-04T14:37:51.591537Z",
"updated_at": "2022-09-04T14:37:51.591560Z",
"structure_string": "Th2 Fe2 Si2 C1\n1.0\n0.000000 -3.988669 -0.000000\n4.227502 -1.994335 -3.499383\n4.283099 -1.994335 3.564185\nTh Fe Si C\n2 2 2 1\ndirect\n0.442297 0.816433 0.298969 Th\n0.557701 0.183566 0.701032 Th\n0.808174 0.308195 0.075456 Fe\n0.191824 0.691804 0.924545 Fe\n0.821978 0.625364 0.730678 Si\n0.178020 0.374635 0.269323 Si\n0.000000 0.000000 0.000000 C\n",
"nsites": 7,
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"elements": [
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"Fe",
"Si",
"C"
],
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"density": 8.919560195856425,
"density_atomic": 0.058390434375121064,
"volume": 119.88264987085886,
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"formula_full": "Th2 Fe2 Si2 C1",
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"spacegroup": 12
},
{
"id": "jvasp-23084",
"created_at": "2022-09-04T14:37:32.389678Z",
"updated_at": "2022-09-04T14:37:32.389703Z",
"structure_string": "Mn4 Mo2 P24\n1.0\n5.548957 0.000000 1.574488\n2.035770 7.588837 3.390671\n-0.003809 -0.006361 10.578745\nMn Mo P\n4 2 24\ndirect\n0.628239 0.315552 0.045426 Mn\n0.989217 0.184448 0.454574 Mn\n0.371761 0.684448 0.954574 Mn\n0.010783 0.815552 0.545426 Mn\n0.695554 0.750000 0.250000 Mo\n0.304446 0.250000 0.750000 Mo\n0.299347 0.956023 0.166775 P\n0.422145 0.543978 0.333225 P\n0.001989 0.979264 0.664201 P\n0.645455 0.520736 0.835798 P\n0.998011 0.020736 0.335798 P\n0.354545 0.479264 0.164202 P\n0.668297 0.770722 0.996627 P\n0.435645 0.729279 0.503372 P\n0.331703 0.229278 0.003372 P\n0.050687 0.621254 0.924272 P\n0.923039 0.140363 0.925754 P\n0.010845 0.640363 0.425754 P\n0.076961 0.859638 0.074246 P\n0.023581 0.564663 0.740446 P\n0.328689 0.935338 0.759553 P\n0.976419 0.435338 0.259553 P\n0.671311 0.064662 0.240447 P\n0.577855 0.456023 0.666775 P\n0.700653 0.043978 0.833225 P\n0.403788 0.121253 0.424272 P\n0.949314 0.378747 0.075728 P\n0.596212 0.878747 0.575728 P\n0.989155 0.359638 0.574246 P\n0.564355 0.270722 0.496627 P\n",
"nsites": 30,
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"elements": [
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],
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"density": 4.3039788646127795,
"density_atomic": 0.06732236669052792,
"volume": 445.6171325334723,
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"formula_full": "Mn4 Mo2 P24",
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"spacegroup": 15
},
{
"id": "jvasp-123428",
"created_at": "2022-09-04T14:38:54.488330Z",
"updated_at": "2022-09-04T14:38:54.488345Z",
"structure_string": "Pu1 Zr1\n1.0\n1.622221 -2.809766 -0.000000\n1.622221 2.809766 -0.000000\n-0.000000 -0.000000 5.289699\nPu Zr\n1 1\ndirect\n0.666667 0.333333 0.250000 Pu\n0.333333 0.666667 0.750000 Zr\n",
"nsites": 2,
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"elements": [
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],
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"density_atomic": 0.041475236186500335,
"volume": 48.22154576785689,
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"formula_full": "Pu1 Zr1",
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"spacegroup": 187
},
{
"id": "jvasp-112247",
"created_at": "2022-09-04T14:38:46.094895Z",
"updated_at": "2022-09-04T14:38:46.094923Z",
"structure_string": "H16 C16 O8\n1.0\n5.220420 0.000000 0.000000\n0.000000 6.694322 0.000000\n0.000000 0.000000 10.549698\nH C O\n16 16 8\ndirect\n0.467862 0.526225 0.021530 H\n0.088713 0.147654 0.179135 H\n0.411287 0.852346 0.679135 H\n0.911287 0.647654 0.320865 H\n0.588713 0.352346 0.820865 H\n0.564051 0.041125 0.769915 H\n0.064051 0.458875 0.230086 H\n0.435949 0.541125 0.730086 H\n0.935949 0.958875 0.269915 H\n0.688414 0.217373 0.567999 H\n0.188414 0.282627 0.432002 H\n0.311586 0.717373 0.932002 H\n0.967862 0.973775 0.978470 H\n0.532138 0.026225 0.478470 H\n0.032138 0.473775 0.521531 H\n0.811586 0.782627 0.067999 H\n0.157015 0.444221 0.440023 C\n0.918254 0.052520 0.185410 C\n0.581746 0.947480 0.685410 C\n0.081746 0.552520 0.314590 C\n0.418254 0.447480 0.814590 C\n0.842985 0.944221 0.059977 C\n0.657015 0.055779 0.559977 C\n0.342985 0.555779 0.940023 C\n0.665532 0.168542 0.183285 C\n0.906902 0.936317 0.554810 C\n0.406902 0.563682 0.445190 C\n0.093098 0.436317 0.945190 C\n0.834468 0.831457 0.683285 C\n0.334468 0.668542 0.316715 C\n0.165532 0.331458 0.816716 C\n0.593098 0.063683 0.054810 C\n0.085505 0.923102 0.481510 O\n0.056823 0.213785 0.747872 O\n0.443177 0.786215 0.247872 O\n0.943177 0.713784 0.752128 O\n0.556823 0.286215 0.252128 O\n0.914495 0.423102 0.018490 O\n0.585505 0.576897 0.518490 O\n0.414495 0.076897 0.981510 O\n",
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"spacegroup": 19
},
{
"id": "jvasp-23530",
"created_at": "2022-09-04T14:37:38.230339Z",
"updated_at": "2022-09-04T14:37:38.230350Z",
"structure_string": "Hf10 Sn6\n1.0\n4.210545 -7.292880 -0.000000\n4.210545 7.292880 -0.000000\n-0.000000 -0.000000 5.711113\nHf Sn\n10 6\ndirect\n0.666668 0.333334 0.000000 Hf\n0.333334 0.666668 0.500000 Hf\n0.333334 0.666668 0.000000 Hf\n0.666668 0.333334 0.500000 Hf\n0.756734 0.000000 0.250000 Hf\n0.000000 0.243267 0.750000 Hf\n0.756734 0.756734 0.750000 Hf\n0.243267 0.243267 0.250000 Hf\n0.000000 0.756734 0.250000 Hf\n0.243267 0.000000 0.750000 Hf\n0.392320 0.000000 0.250000 Sn\n0.000000 0.607681 0.750000 Sn\n0.392320 0.392320 0.750000 Sn\n0.607681 0.607681 0.250000 Sn\n0.000000 0.392320 0.250000 Sn\n0.607681 0.000000 0.750000 Sn\n",
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{
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"structure_string": "Sc1 Nb1 Ru2\n1.0\n0.000004 3.183631 3.183626\n3.183637 0.000003 3.183627\n3.183636 3.183631 0.000005\nSc Nb Ru\n1 1 2\ndirect\n0.749999 0.750001 0.750001 Sc\n0.250001 0.250001 0.250000 Nb\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500002 0.500000 Ru\n",
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},
{
"id": "jvasp-58407",
"created_at": "2022-09-04T14:37:37.035451Z",
"updated_at": "2022-09-04T14:37:37.035461Z",
"structure_string": "Ca1 Mo6 S8\n1.0\n6.540468 0.006450 0.048730\n0.048415 6.540292 0.048729\n0.006492 0.006450 6.540647\nCa Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Ca\n0.774007 0.581991 0.440115 Mo\n0.581991 0.440114 0.774007 Mo\n0.559886 0.225993 0.418009 Mo\n0.225993 0.418009 0.559886 Mo\n0.418009 0.559886 0.225993 Mo\n0.440115 0.774007 0.581992 Mo\n0.761189 0.761188 0.761189 S\n0.238811 0.238811 0.238811 S\n0.253777 0.622932 0.873581 S\n0.622933 0.873580 0.253777 S\n0.873581 0.253777 0.622933 S\n0.746224 0.377067 0.126420 S\n0.377068 0.126420 0.746224 S\n0.126420 0.746223 0.377068 S\n",
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"spacegroup": 148
}
]
}