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{
"id": "jvasp-17307",
"created_at": "2022-09-04T14:38:30.308401Z",
"updated_at": "2022-09-04T14:38:30.308424Z",
"structure_string": "Rh3 Pb2 S2\n1.0\n5.008460 -0.000928 2.826670\n1.650035 4.728853 2.826670\n-0.001308 -0.000928 5.751063\nRh Pb S\n3 2 2\ndirect\n0.500000 -0.000000 0.000000 Rh\n-0.000000 -0.000000 0.500000 Rh\n0.000001 0.500000 -0.000000 Rh\n0.500000 0.499999 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.717372 0.717371 0.717371 S\n0.282629 0.282628 0.282628 S\n",
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"structure_string": "Ni3 Sb2 Te2\n1.0\n5.619420 0.014200 3.306186\n4.208398 3.723905 3.306186\n-0.002766 -0.001052 6.782741\nNi Sb Te\n3 2 2\ndirect\n0.254510 0.254511 0.736878 Ni\n0.746380 0.746379 0.262480 Ni\n0.996219 0.996216 0.002566 Ni\n0.876013 0.876012 0.463971 Sb\n0.369697 0.369698 0.964988 Sb\n0.126413 0.126413 0.532575 Te\n0.628009 0.628008 0.036549 Te\n",
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{
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"structure_string": "Rh3 Pb2 Se2\n1.0\n2.910142 1.680171 4.898367\n-2.910142 1.680171 4.898367\n0.000000 -3.360342 4.898367\nRh Pb Se\n3 2 2\ndirect\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 Pb\n0.787895 0.787895 0.787895 Se\n0.212106 0.212106 0.212106 Se\n",
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{
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"created_at": "2022-09-04T14:35:45.993805Z",
"updated_at": "2022-09-04T14:35:45.993822Z",
"structure_string": "Ni3 Sn2 S2\n1.0\n4.767659 -0.028582 2.637539\n1.542023 4.511491 2.637539\n-0.040230 -0.028582 5.448446\nNi Sn S\n3 2 2\ndirect\n0.500000 0.500000 0.000000 Ni\n-0.000000 0.500000 0.500001 Ni\n0.500000 0.000001 0.500000 Ni\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500001 Sn\n0.220889 0.220890 0.220890 S\n0.779110 0.779111 0.779111 S\n",
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"volume": 118.15703332764355,
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"spacegroup": 166
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{
"id": "jvasp-94919",
"created_at": "2022-09-04T14:36:06.304185Z",
"updated_at": "2022-09-04T14:36:06.304214Z",
"structure_string": "U2 Re2 C3\n1.0\n-0.000000 3.050706 -0.000000\n0.253803 -0.000000 5.513383\n5.550167 -1.525353 -1.726685\nU Re C\n2 2 3\ndirect\n0.601884 0.832677 0.203767 U\n0.398118 0.167323 0.796233 U\n0.847054 0.637160 0.694105 Re\n0.152948 0.362840 0.305895 Re\n-0.000000 0.500000 -0.000000 C\n0.250591 0.759699 0.501178 C\n0.749412 0.240301 0.498822 C\n",
"nsites": 7,
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"elements": [
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"formula_full": "U2 Re2 C3",
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{
"id": "jvasp-86486",
"created_at": "2022-09-04T14:36:08.741660Z",
"updated_at": "2022-09-04T14:36:08.741683Z",
"structure_string": "Ho2 Mo2 C3\n1.0\n3.205648 0.000000 -0.916380\n-0.580732 5.290137 -2.031497\n0.001007 -0.021278 6.068652\nHo Mo C\n2 2 3\ndirect\n0.390009 0.175687 0.780017 Ho\n0.609993 0.824313 0.219982 Ho\n0.156261 0.326595 0.312519 Mo\n0.843742 0.673406 0.687480 Mo\n0.751235 0.264984 0.502468 C\n0.248767 0.735016 0.497531 C\n0.000000 0.000000 0.000000 C\n",
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{
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"updated_at": "2022-09-04T14:36:01.637132Z",
"structure_string": "Er2 Mo2 C3\n1.0\n3.194594 0.000000 -0.912013\n-0.568730 5.280676 -1.992145\n-0.004899 -0.016802 6.033845\nEr Mo C\n2 2 3\ndirect\n0.389553 0.174041 0.779108 Er\n0.610446 0.825960 0.220895 Er\n0.155766 0.327285 0.311533 Mo\n0.844233 0.672716 0.688469 Mo\n0.751631 0.263757 0.503265 C\n0.248367 0.736244 0.496738 C\n0.000000 0.000000 0.000000 C\n",
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],
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"density": 9.187826691846968,
"density_atomic": 0.06886414853176602,
"volume": 101.64940900664737,
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"formula_full": "Er2 Mo2 C3",
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"spacegroup": 12
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{
"id": "jvasp-86735",
"created_at": "2022-09-04T14:36:06.131351Z",
"updated_at": "2022-09-04T14:36:06.131378Z",
"structure_string": "Tb2 B2 C3\n1.0\n3.287461 0.000000 -0.818806\n0.000000 3.708363 0.000000\n-0.042094 0.000000 6.839889\nTb B C\n2 2 3\ndirect\n0.863692 0.000000 0.727383 Tb\n0.136308 0.000000 0.272617 Tb\n0.716779 0.500000 0.433557 B\n0.283222 0.500000 0.566443 B\n0.399418 0.500000 0.798833 C\n0.500000 0.500000 -0.000000 C\n0.600583 0.500000 0.201167 C\n",
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"elements": [
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"volume": 83.2579466654859,
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"formula_full": "Tb2 B2 C3",
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},
{
"id": "jvasp-98053",
"created_at": "2022-09-04T14:36:07.627986Z",
"updated_at": "2022-09-04T14:36:07.627997Z",
"structure_string": "Bi2 Pd3 S2\n1.0\n5.172403 -0.063530 2.497890\n1.541224 4.937856 2.497890\n-0.087503 -0.063530 5.743305\nBi Pd S\n2 3 2\ndirect\n0.000000 0.000000 0.000000 Bi\n0.499999 0.500000 0.500000 Bi\n-0.000001 0.500000 -0.000000 Pd\n0.500000 -0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.718347 0.718348 0.718348 S\n0.281652 0.281652 0.281652 S\n",
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{
"id": "jvasp-120608",
"created_at": "2022-09-04T14:38:47.651181Z",
"updated_at": "2022-09-04T14:38:47.651202Z",
"structure_string": "Li4 Nd4 Ge6\n1.0\n9.628892 0.001859 0.000000\n-8.605814 4.319203 0.000000\n-0.000000 0.000000 6.933408\nLi Nd Ge\n4 4 6\ndirect\n0.808886 0.191114 0.438009 Li\n0.191114 0.808885 0.561992 Li\n0.808886 0.191114 0.061992 Li\n0.191114 0.808885 0.938009 Li\n0.552065 0.447934 0.750000 Nd\n0.447935 0.552065 0.250000 Nd\n0.342606 0.657393 0.750000 Nd\n0.657394 0.342606 0.250000 Nd\n0.937445 0.062555 0.934416 Ge\n0.062555 0.937444 0.065585 Ge\n0.937445 0.062555 0.565585 Ge\n0.062555 0.937444 0.434416 Ge\n0.720283 0.279717 0.750000 Ge\n0.279717 0.720282 0.250000 Ge\n",
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"formula_full": "Li4 Nd4 Ge6",
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"spacegroup": 63
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{
"id": "jvasp-116926",
"created_at": "2022-09-04T14:38:47.575827Z",
"updated_at": "2022-09-04T14:38:47.575857Z",
"structure_string": "Na6 N6 O9\n1.0\n6.060567 -0.010889 1.799734\n4.557541 3.994923 1.799734\n-0.324936 -0.121920 11.734741\nNa N O\n6 6 9\ndirect\n0.934151 0.723742 0.597427 Na\n0.657925 0.298603 0.781682 Na\n0.269098 0.047585 0.927433 Na\n0.952416 0.730901 0.072567 Na\n0.701397 0.342074 0.218317 Na\n0.276257 0.065849 0.402572 Na\n0.740204 0.259796 0.500000 N\n0.034762 0.634566 0.339301 N\n0.419269 0.961168 0.185069 N\n0.737447 0.262553 -0.000000 N\n0.365434 0.965237 0.660699 N\n0.038831 0.580731 0.814930 N\n0.523497 0.358441 0.588369 O\n0.280115 0.888095 0.758361 O\n0.123405 0.225652 0.601207 O\n0.440944 0.559056 -0.000000 O\n0.801901 0.808063 0.884504 O\n0.111905 0.719884 0.241638 O\n0.774349 0.876594 0.398793 O\n0.191936 0.198099 0.115495 O\n0.641559 0.476503 0.411630 O\n",
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{
"id": "jvasp-50619",
"created_at": "2022-09-04T14:37:03.454838Z",
"updated_at": "2022-09-04T14:37:03.454849Z",
"structure_string": "Li4 Fe4 S6\n1.0\n0.000000 6.071346 0.045892\n6.170311 0.000000 0.000000\n0.000000 -3.021808 -6.601425\nLi Fe S\n4 4 6\ndirect\n0.765607 0.395074 0.358744 Li\n0.734394 0.895074 0.641256 Li\n0.265606 0.104926 0.358744 Li\n0.234393 0.604926 0.641255 Li\n0.147742 0.640178 0.021732 Fe\n0.647743 0.859821 0.021732 Fe\n0.352258 0.140178 0.978268 Fe\n0.852258 0.359822 0.978268 Fe\n0.500000 0.500000 0.000000 S\n0.000000 0.000000 0.000000 S\n0.638991 0.020014 0.303199 S\n0.861010 0.520014 0.696801 S\n0.138990 0.479986 0.303198 S\n0.361009 0.979986 0.696801 S\n",
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