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{
"id": "jvasp-23787",
"created_at": "2022-09-04T14:37:58.286062Z",
"updated_at": "2022-09-04T14:37:58.286097Z",
"structure_string": "Sr3 Sn4 Ir4\n1.0\n6.666619 0.000000 -2.357006\n-3.333310 5.773461 -2.357006\n0.000000 0.000000 7.071017\nSr Sn Ir\n3 4 4\ndirect\n-0.000000 0.500000 0.500000 Sr\n0.500000 -0.000000 0.500000 Sr\n0.500000 0.500000 -0.000001 Sr\n-0.000000 0.386305 -0.000000 Sn\n0.386306 -0.000000 -0.000000 Sn\n0.000000 0.000000 0.386306 Sn\n0.613695 0.613694 0.613694 Sn\n0.000000 0.000000 0.750109 Ir\n0.750109 -0.000000 -0.000000 Ir\n0.249891 0.249891 0.249891 Ir\n-0.000000 0.750109 -0.000001 Ir\n",
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{
"id": "jvasp-23544",
"created_at": "2022-09-04T14:37:35.774125Z",
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{
"id": "jvasp-23810",
"created_at": "2022-09-04T14:37:39.145192Z",
"updated_at": "2022-09-04T14:37:39.145214Z",
"structure_string": "Sc3 Ni4 Ge4\n1.0\n3.772636 0.000000 -1.016907\n-0.783399 5.889675 -2.906342\n0.005386 0.000756 7.526509\nSc Ni Ge\n3 4 4\ndirect\n0.873543 0.873532 0.747083 Sc\n0.126459 0.126468 0.252917 Sc\n-0.000000 0.500000 -0.000000 Sc\n0.677368 0.479711 0.354734 Ni\n0.322610 0.124996 0.645217 Ni\n0.322634 0.520289 0.645267 Ni\n0.677392 0.875004 0.354783 Ni\n0.782105 0.282113 0.564207 Ge\n0.217896 0.717887 0.435793 Ge\n0.500011 0.803181 0.000022 Ge\n0.499990 0.196819 0.999978 Ge\n",
"nsites": 11,
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"density": 6.55373426228561,
"density_atomic": 0.06575912362169714,
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"formula_full": "Sc3 Ni4 Ge4",
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"formula_anonymous": "A3B4C4",
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{
"id": "jvasp-22437",
"created_at": "2022-09-04T14:37:56.678051Z",
"updated_at": "2022-09-04T14:37:56.678073Z",
"structure_string": "Tm3 Ge4 Pd4\n1.0\n3.990415 0.000000 -1.070172\n-0.815549 6.335579 -3.040987\n0.023232 -0.077770 8.061358\nTm Ge Pd\n3 4 4\ndirect\n0.874186 0.374187 0.748375 Tm\n0.125812 0.625813 0.251625 Tm\n0.000000 0.000000 0.000000 Tm\n0.499999 0.689358 -0.000000 Ge\n0.499999 0.310643 -0.000000 Ge\n0.216973 0.216973 0.433945 Ge\n0.783026 0.783027 0.566055 Ge\n0.325085 0.622730 0.650171 Pd\n0.674914 0.972559 0.349829 Pd\n0.325085 0.027441 0.650171 Pd\n0.674914 0.377270 0.349829 Pd\n",
"nsites": 11,
"nelements": 3,
"elements": [
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],
"chemical_system": "Ge-Pd-Tm",
"density": 10.006954713964051,
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"volume": 202.94986090006054,
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"formula_full": "Tm3 Ge4 Pd4",
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"formula_anonymous": "A3B4C4",
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{
"id": "jvasp-121960",
"created_at": "2022-09-04T14:38:53.063142Z",
"updated_at": "2022-09-04T14:38:53.063161Z",
"structure_string": "Ce3 Si4 Pd4\n1.0\n4.185951 0.020951 -12.072306\n-0.106105 4.049491 -12.118315\n-0.005057 -0.020951 12.777430\nCe Si Pd\n3 4 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.645796 0.145796 0.499999 Ce\n0.354203 0.854204 0.499999 Ce\n0.804466 0.304467 0.499999 Si\n0.195532 0.695533 0.499999 Si\n0.547762 0.547763 -0.000001 Si\n0.452236 0.452237 -0.000001 Si\n0.902978 0.402979 0.499999 Pd\n0.097020 0.597021 0.499999 Pd\n0.750128 0.750129 -0.000001 Pd\n0.249871 0.249871 -0.000000 Pd\n",
"nsites": 11,
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"elements": [
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"density": 7.392190909152567,
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"formula_full": "Ce3 Si4 Pd4",
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"spacegroup": 71
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{
"id": "jvasp-116482",
"created_at": "2022-09-04T14:38:43.275188Z",
"updated_at": "2022-09-04T14:38:43.275216Z",
"structure_string": "Sc3 Cu4 Si4\n1.0\n5.810128 0.001944 -4.835754\n-0.484614 3.786425 -6.524588\n-0.000412 -0.001944 7.559240\nSc Cu Si\n3 4 4\ndirect\n0.373826 0.873826 0.500002 Sc\n0.626176 0.126175 0.500001 Sc\n0.000000 0.000000 0.000000 Sc\n0.634193 0.329056 0.305138 Cu\n0.365808 0.670946 0.694865 Cu\n0.023920 0.329057 0.694864 Cu\n0.976081 0.670945 0.305138 Cu\n0.216698 0.216698 0.000000 Si\n0.783303 0.783302 0.000001 Si\n0.687468 0.500000 0.187468 Si\n0.312534 0.500001 0.812534 Si\n",
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"elements": [
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],
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"density": 5.008876191484292,
"density_atomic": 0.06617668082205705,
"volume": 166.22169415806724,
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"formula_full": "Sc3 Cu4 Si4",
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"formula_anonymous": "A3B4C4",
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{
"id": "jvasp-96928",
"created_at": "2022-09-04T14:35:45.354151Z",
"updated_at": "2022-09-04T14:35:45.354174Z",
"structure_string": "Ce3 Ag4 Sn4\n1.0\n4.533947 -0.000021 -1.235423\n-0.828074 6.646760 -3.039431\n-0.012634 -0.004951 8.892632\nCe Ag Sn\n3 4 4\ndirect\n0.000000 0.500000 0.000000 Ce\n0.128919 0.129002 0.257839 Ce\n0.871083 0.870999 0.742162 Ce\n0.329904 0.525260 0.659874 Ag\n0.670099 0.474741 0.340126 Ag\n0.670247 0.865614 0.340412 Ag\n0.329755 0.134386 0.659589 Ag\n0.214465 0.714310 0.428866 Sn\n0.785538 0.285690 0.571135 Sn\n0.499967 0.197114 0.999883 Sn\n0.500035 0.802886 0.000118 Sn\n",
"nsites": 11,
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"elements": [
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],
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"density": 8.225825377101627,
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"volume": 267.8116767053262,
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"formula_full": "Ce3 Ag4 Sn4",
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{
"id": "jvasp-98458",
"created_at": "2022-09-04T14:36:07.220489Z",
"updated_at": "2022-09-04T14:36:07.220514Z",
"structure_string": "La3 Ge4 Rh4\n1.0\n4.129006 -0.000000 -0.673636\n-0.114105 4.216264 -0.699401\n0.014280 0.002198 13.078580\nLa Ge Rh\n3 4 4\ndirect\n0.855514 0.355514 0.711028 La\n0.144486 0.644486 0.288972 La\n0.000000 0.000000 0.000000 La\n0.450658 0.450658 0.901316 Ge\n0.549342 0.549341 0.098684 Ge\n0.301664 0.801665 0.603330 Ge\n0.698335 0.198335 0.396670 Ge\n0.399740 0.899740 0.799482 Rh\n0.250086 0.250086 0.500172 Rh\n0.749914 0.749913 0.499827 Rh\n0.600260 0.100259 0.200518 Rh\n",
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{
"id": "jvasp-96921",
"created_at": "2022-09-04T14:36:04.378763Z",
"updated_at": "2022-09-04T14:36:04.378786Z",
"structure_string": "La4 Se3 O4\n1.0\n4.111360 0.000000 0.000000\n-2.055680 6.598632 0.000000\n0.000000 0.000000 8.571609\nLa Se O\n4 3 4\ndirect\n0.685572 0.371145 0.762637 La\n0.685572 0.371145 0.237363 La\n0.016910 0.033820 0.500000 La\n0.000173 0.000346 0.000000 La\n0.357908 0.715817 0.351114 Se\n0.357908 0.715817 0.648886 Se\n0.312038 0.624077 0.000000 Se\n0.615855 0.231709 0.500000 O\n0.587614 0.175227 0.000000 O\n0.089619 0.179239 0.755949 O\n0.089619 0.179239 0.244051 O\n",
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"formula_full": "La4 Se3 O4",
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{
"id": "jvasp-21679",
"created_at": "2022-09-04T14:38:29.651922Z",
"updated_at": "2022-09-04T14:38:29.651939Z",
"structure_string": "Ca3 Ga4 Ni4\n1.0\n6.022727 0.000000 -2.129356\n-3.011364 5.215835 -2.129356\n0.000000 0.000000 6.388068\nCa Ga Ni\n3 4 4\ndirect\n0.000001 0.500000 0.500000 Ca\n0.500000 -0.000000 0.500000 Ca\n0.500001 0.500000 -0.000000 Ca\n0.000000 0.000000 0.610693 Ga\n0.610693 -0.000000 -0.000000 Ga\n0.389308 0.389307 0.389307 Ga\n0.000001 0.610693 0.000000 Ga\n0.000000 0.247258 0.000000 Ni\n0.247258 -0.000000 -0.000000 Ni\n0.000000 0.000000 0.247258 Ni\n0.752743 0.752743 0.752742 Ni\n",
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{
"id": "jvasp-54450",
"created_at": "2022-09-04T14:37:44.316772Z",
"updated_at": "2022-09-04T14:37:44.316799Z",
"structure_string": "Tb3 Mn4 Ge4\n1.0\n4.116251 0.015992 -0.025940\n-0.027687 7.048815 -0.017765\n-2.001048 -3.514833 6.861443\nTb Mn Ge\n3 4 4\ndirect\n0.879561 0.877846 0.751899 Tb\n0.003636 0.501919 0.000062 Tb\n0.127720 0.125973 0.248203 Tb\n0.325645 0.134423 0.644024 Mn\n0.681637 0.490464 0.356099 Mn\n0.325680 0.513324 0.644021 Mn\n0.681643 0.869356 0.356071 Mn\n0.224104 0.722374 0.441003 Ge\n0.503635 0.203033 0.000057 Ge\n0.503626 0.800785 0.000037 Ge\n0.783211 0.281403 0.559113 Ge\n",
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{
"id": "jvasp-42920",
"created_at": "2022-09-04T14:36:05.807197Z",
"updated_at": "2022-09-04T14:36:05.807224Z",
"structure_string": "Li3 Fe4 B4 O12\n1.0\n-5.207540 0.008542 0.054497\n2.592297 4.489021 -0.127999\n0.040368 -0.029243 -9.807383\nLi Fe B O\n3 4 4 12\ndirect\n0.009017 0.343818 0.354166 Li\n0.986050 0.346560 0.827134 Li\n0.994021 0.657288 0.105518 Li\n0.338943 0.313105 0.622373 Fe\n0.322509 0.005943 0.859503 Fe\n0.664824 0.988758 0.122909 Fe\n0.675780 0.677383 0.370183 Fe\n0.669996 0.678166 0.876635 B\n0.673791 0.985650 0.621313 B\n0.328779 0.001151 0.366416 B\n0.325829 0.322159 0.121600 B\n0.596027 0.576407 0.150143 O\n0.601641 0.022701 0.339245 O\n0.925819 0.660893 0.886658 O\n0.071564 0.735519 0.351466 O\n0.941328 0.240719 0.633805 O\n0.649736 0.724147 0.575902 O\n0.417800 0.988521 0.658851 O\n0.401732 0.429977 0.841568 O\n0.676937 0.944342 0.905393 O\n0.325348 0.065019 0.084680 O\n0.067178 0.330089 0.135384 O\n0.324086 0.257204 0.402437 O\n",
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],
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}
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}