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{
"id": "jvasp-122085",
"created_at": "2022-09-04T14:38:55.260981Z",
"updated_at": "2022-09-04T14:38:55.261011Z",
"structure_string": "Ni14 P14\n1.0\n12.442872 -0.003081 0.000000\n-11.001486 5.813121 0.000000\n0.000000 0.000000 4.936898\nNi P\n14 14\ndirect\n0.507263 0.383533 0.424969 Ni\n0.949531 0.949532 0.896212 Ni\n0.235646 0.647380 0.878494 Ni\n0.647379 0.235646 0.878494 Ni\n0.764354 0.352620 0.378494 Ni\n0.352620 0.764354 0.378494 Ni\n0.907475 0.205216 0.912510 Ni\n0.050468 0.050468 0.396212 Ni\n0.092525 0.794784 0.412510 Ni\n0.794784 0.092525 0.412510 Ni\n0.616467 0.492736 0.924969 Ni\n0.492736 0.616467 0.924969 Ni\n0.383532 0.507264 0.424969 Ni\n0.205215 0.907475 0.912510 Ni\n0.018418 0.595841 0.721973 P\n0.595841 0.018419 0.721973 P\n0.981581 0.404159 0.221972 P\n0.404159 0.981581 0.221972 P\n0.162687 0.452545 0.569218 P\n0.452545 0.162687 0.569218 P\n0.884313 0.746325 0.596401 P\n0.547454 0.837313 0.069218 P\n0.746324 0.884313 0.596401 P\n0.115687 0.253675 0.096401 P\n0.253675 0.115687 0.096401 P\n0.687705 0.687705 0.232962 P\n0.837313 0.547455 0.069218 P\n0.312295 0.312295 0.732962 P\n",
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{
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"structure_string": "Mg2 Br1\n1.0\n3.640560 0.000000 0.000000\n0.000000 3.501974 0.000000\n0.000000 0.000000 7.234626\nMg Br\n2 1\ndirect\n-0.033326 0.000000 0.699010 Mg\n-0.033326 0.000000 0.300990 Mg\n0.466651 0.000000 0.000000 Br\n",
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{
"id": "jvasp-123773",
"created_at": "2022-09-04T14:38:55.264209Z",
"updated_at": "2022-09-04T14:38:55.264237Z",
"structure_string": "Hf1 Tl1\n1.0\n1.613341 -2.794389 0.000000\n1.613341 2.794389 0.000000\n-0.000000 0.000000 5.144712\nHf Tl\n1 1\ndirect\n0.333333 0.666666 0.750000 Hf\n0.666666 0.333333 0.250000 Tl\n",
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},
{
"id": "jvasp-122986",
"created_at": "2022-09-04T14:38:55.266916Z",
"updated_at": "2022-09-04T14:38:55.266930Z",
"structure_string": "V1 Si1\n1.0\n2.981399 -0.000000 0.000000\n0.000000 2.981399 -0.000000\n0.000000 0.000000 2.981399\nV Si\n1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Si\n",
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"density": 4.9518136057214415,
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"volume": 26.500880538915066,
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},
{
"id": "jvasp-123922",
"created_at": "2022-09-04T14:38:55.270747Z",
"updated_at": "2022-09-04T14:38:55.270773Z",
"structure_string": "Mg1 Fe1\n1.0\n1.385140 -2.399134 0.000000\n1.385140 2.399134 -0.000000\n0.000000 0.000000 4.452933\nMg Fe\n1 1\ndirect\n0.333334 0.666666 0.250000 Mg\n0.666666 0.333334 0.749999 Fe\n",
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"volume": 29.595408090489745,
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{
"id": "jvasp-122108",
"created_at": "2022-09-04T14:38:55.272181Z",
"updated_at": "2022-09-04T14:38:55.272210Z",
"structure_string": "Nb4 S4 Br4\n1.0\n6.306691 -0.000000 3.641170\n2.102230 5.946005 3.641170\n-0.000000 -0.000000 7.282339\nNb S Br\n4 4 4\ndirect\n0.351633 0.351633 0.351633 Nb\n0.351633 0.351633 0.945103 Nb\n0.351633 0.945102 0.351633 Nb\n0.945102 0.351633 0.351633 Nb\n0.119038 0.119038 0.119038 S\n0.119038 0.119038 0.642886 S\n0.119039 0.642885 0.119039 S\n0.642886 0.119038 0.119039 S\n0.623407 0.623406 0.623407 Br\n0.623407 0.623406 0.129781 Br\n0.623407 0.129780 0.623407 Br\n0.129781 0.623406 0.623407 Br\n",
"nsites": 12,
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"elements": [
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],
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"density": 4.983117708070681,
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"volume": 273.0849176799697,
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"formula_full": "Nb4 S4 Br4",
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"spacegroup": 216
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{
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"created_at": "2022-09-04T14:38:55.272401Z",
"updated_at": "2022-09-04T14:38:55.272426Z",
"structure_string": "Sm3 Y1\n1.0\n1.798333 -3.114804 -0.000000\n1.798333 3.114804 0.000000\n0.000000 0.000000 11.591277\nSm Y\n3 1\ndirect\n0.000000 0.000000 0.500000 Sm\n0.333332 0.666666 0.249087 Sm\n0.666666 0.333332 0.750913 Sm\n0.000000 0.000000 0.000000 Y\n",
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"density": 6.905090253003197,
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{
"id": "jvasp-122074",
"created_at": "2022-09-04T14:38:55.288707Z",
"updated_at": "2022-09-04T14:38:55.288734Z",
"structure_string": "Ho12 Te12 N4\n1.0\n11.903070 0.000000 0.000000\n-0.000000 7.614494 2.632119\n-0.000000 0.017394 8.619372\nHo Te N\n12 12 4\ndirect\n0.022216 0.601288 0.138528 Ho\n0.790242 0.767141 0.846378 Ho\n0.290242 0.232858 0.653622 Ho\n0.209758 0.232858 0.153622 Ho\n0.087534 0.841235 0.704795 Ho\n0.587534 0.158763 0.795206 Ho\n0.709758 0.767141 0.346378 Ho\n0.412466 0.841236 0.204795 Ho\n0.477784 0.601288 0.638528 Ho\n0.977784 0.398711 0.861472 Ho\n0.522216 0.398711 0.361472 Ho\n0.912466 0.158763 0.295206 Ho\n0.234393 0.508887 0.811613 Te\n0.191126 0.953440 0.983069 Te\n0.691126 0.046559 0.516931 Te\n0.808874 0.046559 0.016931 Te\n0.308874 0.953440 0.483069 Te\n0.734393 0.491112 0.688387 Te\n0.481340 0.226600 0.084529 Te\n0.265607 0.508887 0.311613 Te\n0.518660 0.773399 0.915471 Te\n0.018660 0.226599 0.584529 Te\n0.981340 0.773400 0.415471 Te\n0.765607 0.491112 0.188387 Te\n0.464854 0.325942 0.623531 N\n0.535146 0.674057 0.376469 N\n0.035146 0.325942 0.123532 N\n0.964854 0.674057 0.876469 N\n",
"nsites": 28,
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"Te",
"N"
],
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"volume": 780.6791924346263,
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"formula_full": "Ho12 Te12 N4",
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},
{
"id": "jvasp-122990",
"created_at": "2022-09-04T14:38:55.295993Z",
"updated_at": "2022-09-04T14:38:55.296026Z",
"structure_string": "Sr1 V1\n1.0\n3.748465 -0.000000 0.000000\n-0.000000 3.748465 -0.000000\n-0.000000 -0.000000 3.748465\nSr V\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500001 0.500001 0.500001 V\n",
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},
{
"id": "jvasp-122110",
"created_at": "2022-09-04T14:38:55.303243Z",
"updated_at": "2022-09-04T14:38:55.303270Z",
"structure_string": "Nd16 Cd4 Ir4\n1.0\n8.586709 -0.000000 4.957538\n2.862236 8.095626 4.957538\n-0.000000 -0.000000 9.915077\nNd Cd Ir\n16 4 4\ndirect\n0.349035 0.349035 0.349035 Nd\n0.938318 0.938318 0.561682 Nd\n0.561682 0.561682 0.938318 Nd\n0.938318 0.561682 0.938318 Nd\n0.561683 0.938318 0.561682 Nd\n0.938318 0.561682 0.561682 Nd\n0.809329 0.809329 0.190671 Nd\n0.190671 0.190671 0.809329 Nd\n0.561683 0.938318 0.938318 Nd\n0.190671 0.809329 0.190671 Nd\n0.190671 0.809329 0.809329 Nd\n0.809329 0.190671 0.190671 Nd\n0.952896 0.349035 0.349035 Nd\n0.349035 0.952896 0.349035 Nd\n0.349035 0.349035 0.952896 Nd\n0.809329 0.190671 0.809329 Nd\n0.580478 0.580478 0.580478 Cd\n0.580478 0.580478 0.258565 Cd\n0.580478 0.258565 0.580478 Cd\n0.258565 0.580478 0.580478 Cd\n0.141763 0.574710 0.141763 Ir\n0.141763 0.141763 0.141763 Ir\n0.141763 0.141763 0.574710 Ir\n0.574710 0.141763 0.141763 Ir\n",
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],
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{
"id": "jvasp-122906",
"created_at": "2022-09-04T14:38:55.307428Z",
"updated_at": "2022-09-04T14:38:55.307446Z",
"structure_string": "Sm3 W1\n1.0\n1.752033 -3.034610 0.000000\n1.752033 3.034610 -0.000000\n0.000000 0.000000 10.500210\nSm W\n3 1\ndirect\n0.000000 0.000000 0.500000 Sm\n0.333332 0.666666 0.208220 Sm\n0.666666 0.333332 0.791780 Sm\n0.000000 0.000000 0.000000 W\n",
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{
"id": "jvasp-121237",
"created_at": "2022-09-04T14:38:55.308887Z",
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"structure_string": "Al1 P3\n1.0\n6.168400 0.537795 0.556670\n0.322790 -3.804113 -0.481744\n1.733054 3.380247 -2.751629\nAl P\n1 3\ndirect\n0.909636 0.059599 0.940550 Al\n0.409472 0.562300 0.914114 P\n0.162601 0.375721 0.259673 P\n0.656689 0.745005 0.197817 P\n",
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]
}