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{
"id": "mp-1080370",
"created_at": "2022-09-04T14:42:59.184389Z",
"structure_string": "Ce16 Se32\n1.0\n8.727435 0.000000 0.000000\n0.000000 19.166242 0.000000\n0.000000 0.000000 19.299617\nCe Se\n16 32\ndirect\n0.971014 0.402138 0.700787 Ce\n0.971014 0.597862 0.299213 Ce\n0.028986 0.097862 0.200787 Ce\n0.028986 0.902138 0.799213 Ce\n0.739953 0.423365 0.154774 Ce\n0.739953 0.576635 0.845226 Ce\n0.260047 0.076635 0.654774 Ce\n0.260047 0.923365 0.345226 Ce\n0.472008 0.700522 0.402701 Ce\n0.472008 0.299478 0.597299 Ce\n0.527992 0.799478 0.902701 Ce\n0.527992 0.200522 0.097299 Ce\n0.763659 0.344695 0.923656 Ce\n0.763659 0.655305 0.076344 Ce\n0.236341 0.155305 0.423656 Ce\n0.236341 0.844695 0.576344 Ce\n0.251060 0.390008 0.639017 Se\n0.251060 0.609992 0.360983 Se\n0.748940 0.109992 0.139017 Se\n0.748940 0.890008 0.860983 Se\n0.751840 0.638320 0.391054 Se\n0.751840 0.361680 0.608946 Se\n0.248160 0.861680 0.891054 Se\n0.248160 0.138320 0.108946 Se\n0.456946 0.816291 0.320821 Se\n0.456946 0.183709 0.679179 Se\n0.543054 0.683709 0.820821 Se\n0.543054 0.316291 0.179179 Se\n0.959243 0.320680 0.816220 Se\n0.959243 0.679320 0.183780 Se\n0.040757 0.179320 0.316220 Se\n0.040757 0.820680 0.683780 Se\n0.081097 0.962341 0.235956 Se\n0.081097 0.037659 0.764044 Se\n0.918903 0.537659 0.735956 Se\n0.918903 0.462341 0.264044 Se\n0.581700 0.236083 0.962899 Se\n0.581700 0.763917 0.037101 Se\n0.418300 0.263917 0.462899 Se\n0.418300 0.736083 0.537101 Se\n0.090973 0.879745 0.456029 Se\n0.090973 0.120255 0.543972 Se\n0.909027 0.620255 0.956028 Se\n0.909027 0.379745 0.043971 Se\n0.594258 0.455671 0.879933 Se\n0.594258 0.544329 0.120067 Se\n0.405742 0.044329 0.379933 Se\n0.405742 0.955671 0.620067 Se\n",
"nsites": 48,
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"elements": [
"Ce",
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"chemical_system": "Ce-Se",
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"volume": 3228.2880678846427,
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"formula_full": "Ce16 Se32",
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"updated_at": "2021-11-28T01:35:58.524000Z",
"spacegroup": 18
},
{
"id": "mp-1246039",
"created_at": "2022-09-04T14:42:59.191877Z",
"structure_string": "In1 B1 N2\n1.0\n3.460178 -0.000005 0.000027\n1.730083 5.044006 0.003256\n0.000006 14.536614 2.946711\nIn B N\n1 1 2\ndirect\n0.000000 0.999967 0.000003 In\n0.000000 0.999981 0.499998 B\n0.999999 0.999978 0.409549 N\n0.000002 0.999973 0.590450 N\n",
"nsites": 4,
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"elements": [
"In",
"B",
"N"
],
"chemical_system": "B-In-N",
"density": 4.976543772158388,
"density_atomic": 0.07802389732156224,
"volume": 51.26634450871736,
"volume_molar": 7.718328572053726,
"formula_full": "In1 B1 N2",
"formula_reduced": "InBN2",
"formula_anonymous": "ABC2",
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"total_magnetization": 3.67e-05,
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"updated_at": "2021-11-28T01:36:03.439000Z",
"spacegroup": 166
},
{
"id": "mp-669388",
"created_at": "2022-09-04T14:42:59.266141Z",
"structure_string": "Gd8 Se8 O4\n1.0\n3.974908 0.000000 0.000000\n0.000000 7.102995 0.000000\n0.000000 0.000000 16.265151\nGd Se O\n8 8 4\ndirect\n0.250000 0.698107 0.038426 Gd\n0.750000 0.740699 0.838683 Gd\n0.250000 0.240699 0.661317 Gd\n0.250000 0.259301 0.161317 Gd\n0.250000 0.801893 0.538426 Gd\n0.750000 0.759301 0.338683 Gd\n0.750000 0.301893 0.961574 Gd\n0.750000 0.198107 0.461574 Gd\n0.750000 0.551736 0.179924 Se\n0.750000 0.490155 0.599903 Se\n0.250000 0.448264 0.820076 Se\n0.750000 0.009845 0.099903 Se\n0.250000 0.051736 0.320076 Se\n0.250000 0.990155 0.900097 Se\n0.750000 0.948264 0.679924 Se\n0.250000 0.509845 0.400097 Se\n0.250000 0.128494 0.530742 O\n0.750000 0.871506 0.469258 O\n0.750000 0.628494 0.969258 O\n0.250000 0.371506 0.030742 O\n",
"nsites": 20,
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"elements": [
"Gd",
"Se",
"O"
],
"chemical_system": "Gd-O-Se",
"density": 7.064400374009595,
"density_atomic": 0.0435515188913302,
"volume": 459.22623387496594,
"volume_molar": 13.827625105398626,
"formula_full": "Gd8 Se8 O4",
"formula_reduced": "Gd2Se2O",
"formula_anonymous": "AB2C2",
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"updated_at": "2021-11-28T01:35:56.198000Z",
"spacegroup": 62
},
{
"id": "mp-1207588",
"created_at": "2022-09-04T14:42:59.162309Z",
"structure_string": "Yb10 Si20 Ir8\n1.0\n12.620698 0.000000 0.000000\n0.000000 12.620698 0.000000\n0.000000 0.000000 4.301544\nYb Si Ir\n10 20 8\ndirect\n0.113075 0.613075 0.500000 Yb\n0.886925 0.386925 0.500000 Yb\n0.613075 0.886925 0.500000 Yb\n0.386925 0.113075 0.500000 Yb\n0.673386 0.173386 0.500000 Yb\n0.326614 0.826614 0.500000 Yb\n0.173386 0.326614 0.500000 Yb\n0.826614 0.673386 0.500000 Yb\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.000000 Yb\n0.566645 0.066645 0.000000 Si\n0.433355 0.933355 0.000000 Si\n0.066645 0.433355 0.000000 Si\n0.933355 0.566645 0.000000 Si\n0.197233 0.163293 0.000000 Si\n0.802767 0.836707 0.000000 Si\n0.163293 0.802767 0.000000 Si\n0.697233 0.336707 0.000000 Si\n0.836707 0.197233 0.000000 Si\n0.302767 0.663293 0.000000 Si\n0.663293 0.697233 0.000000 Si\n0.336707 0.302767 0.000000 Si\n0.003081 0.151497 0.500000 Si\n0.996919 0.848503 0.500000 Si\n0.151497 0.996919 0.500000 Si\n0.503081 0.348503 0.500000 Si\n0.848503 0.003081 0.500000 Si\n0.496919 0.651497 0.500000 Si\n0.651497 0.503081 0.500000 Si\n0.348503 0.496919 0.500000 Si\n0.017916 0.245444 0.000000 Ir\n0.982084 0.754556 0.000000 Ir\n0.245444 0.982084 0.000000 Ir\n0.517916 0.254556 0.000000 Ir\n0.754556 0.017916 0.000000 Ir\n0.482084 0.745444 0.000000 Ir\n0.745444 0.517916 0.000000 Ir\n0.254556 0.482084 0.000000 Ir\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Yb",
"Si",
"Ir"
],
"chemical_system": "Ir-Si-Yb",
"density": 9.281951390175527,
"density_atomic": 0.05546161065224034,
"volume": 685.1586088667804,
"volume_molar": 10.858214698740882,
"formula_full": "Yb10 Si20 Ir8",
"formula_reduced": "Yb5(Si5Ir2)2",
"formula_anonymous": "A4B5C10",
"energy": -219.17012437000005,
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"updated_at": "2021-11-28T01:36:05.202000Z",
"spacegroup": 127
},
{
"id": "mp-1229297",
"created_at": "2022-09-04T14:42:59.165848Z",
"structure_string": "Ce12 Al12 Pd8 Pt4\n1.0\n0.000000 -4.444347 0.000000\n-7.211220 0.000000 -0.027491\n-0.088186 0.000000 -23.374864\nCe Al Pd Pt\n12 12 8 4\ndirect\n0.750000 0.469533 0.060266 Ce\n0.750000 0.468448 0.393280 Ce\n0.750000 0.469172 0.726636 Ce\n0.750000 0.968564 0.106696 Ce\n0.750000 0.966892 0.440012 Ce\n0.750000 0.967722 0.773755 Ce\n0.250000 0.528040 0.274361 Ce\n0.250000 0.527633 0.607726 Ce\n0.250000 0.527457 0.940881 Ce\n0.250000 0.028584 0.226034 Ce\n0.250000 0.032221 0.559563 Ce\n0.250000 0.031877 0.892603 Ce\n0.750000 0.352392 0.190395 Al\n0.750000 0.349922 0.523153 Al\n0.750000 0.349479 0.856412 Al\n0.750000 0.852649 0.309609 Al\n0.750000 0.854369 0.643598 Al\n0.750000 0.854287 0.976543 Al\n0.250000 0.649151 0.144911 Al\n0.250000 0.647477 0.477758 Al\n0.250000 0.648390 0.810988 Al\n0.250000 0.149723 0.021944 Al\n0.250000 0.149169 0.355245 Al\n0.250000 0.149188 0.688975 Al\n0.750000 0.713255 0.537005 Pd\n0.750000 0.713319 0.870224 Pd\n0.250000 0.785043 0.037007 Pd\n0.250000 0.784720 0.370280 Pd\n0.250000 0.785318 0.703758 Pd\n0.250000 0.285462 0.129458 Pd\n0.250000 0.285341 0.462646 Pd\n0.250000 0.285274 0.795992 Pd\n0.750000 0.216838 0.296412 Pt\n0.750000 0.218210 0.629437 Pt\n0.750000 0.218529 0.962536 Pt\n0.750000 0.716355 0.203902 Pt\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Ce",
"Al",
"Pd",
"Pt"
],
"chemical_system": "Al-Ce-Pd-Pt",
"density": 8.061519354661693,
"density_atomic": 0.04805548328059127,
"volume": 749.1340746653096,
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"formula_full": "Ce12 Al12 Pd8 Pt4",
"formula_reduced": "Ce3Al3Pd2Pt",
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"energy": -211.9073454,
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"updated_at": "2021-11-28T01:36:01.811000Z",
"spacegroup": 6
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{
"id": "mp-568718",
"created_at": "2022-09-04T14:42:59.180521Z",
"structure_string": "Hf2 Al6\n1.0\n-1.999424 1.999424 8.608668\n1.999424 -1.999424 8.608668\n1.999424 1.999424 -8.608668\nHf Al\n2 6\ndirect\n0.119753 0.119753 0.000000 Hf\n0.880247 0.880247 0.000000 Hf\n0.374492 0.374492 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.625508 0.625508 0.000000 Al\n0.750000 0.250000 0.500000 Al\n0.250000 0.750000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n",
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{
"id": "mp-645317",
"created_at": "2022-09-04T14:42:59.192430Z",
"structure_string": "Li8 C2 O8\n1.0\n5.772840 0.000000 0.000000\n0.000000 4.653502 0.000000\n0.000000 4.453100 5.749214\nLi C O\n8 2 8\ndirect\n0.694480 0.342034 0.054109 Li\n0.927097 0.555856 0.375032 Li\n0.511955 0.741798 0.687152 Li\n0.305520 0.342034 0.554109 Li\n0.103247 0.943933 0.016602 Li\n0.488045 0.741798 0.187152 Li\n0.072903 0.555856 0.875032 Li\n0.896753 0.943933 0.516602 Li\n0.785011 0.147119 0.754283 C\n0.214989 0.147119 0.254283 C\n0.789136 0.454606 0.749171 O\n0.649549 0.222362 0.563214 O\n0.708483 0.836443 0.966994 O\n0.350451 0.222362 0.063214 O\n0.291517 0.836443 0.466994 O\n0.019422 0.080120 0.714752 O\n0.210864 0.454606 0.249171 O\n0.980578 0.080120 0.214752 O\n",
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{
"id": "mp-1017336",
"created_at": "2022-09-04T14:42:59.250816Z",
"structure_string": "Na2 Mg12 W2\n1.0\n4.424878 0.000000 0.000000\n0.000000 8.729002 0.000000\n0.000000 0.000000 8.775380\nNa Mg W\n2 12 2\ndirect\n0.500000 0.500000 0.370779 Na\n0.500000 0.000000 0.870779 Na\n0.500000 0.753494 0.126023 Mg\n0.500000 0.246506 0.126023 Mg\n0.000000 0.728400 0.875510 Mg\n0.000000 0.271600 0.875510 Mg\n0.000000 0.500000 0.106620 Mg\n0.000000 0.500000 0.642857 Mg\n0.500000 0.253494 0.626023 Mg\n0.500000 0.746506 0.626023 Mg\n0.000000 0.228400 0.375510 Mg\n0.000000 0.771600 0.375510 Mg\n0.000000 0.000000 0.606620 Mg\n0.000000 0.000000 0.142857 Mg\n0.500000 0.500000 0.876682 W\n0.500000 0.000000 0.376682 W\n",
"nsites": 16,
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"elements": [
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"volume": 338.9470246128453,
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"formula_full": "Na2 Mg12 W2",
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"spacegroup": 38
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{
"id": "mp-1074346",
"created_at": "2022-09-04T14:42:59.258316Z",
"structure_string": "Mg8 Si6\n1.0\n5.602973 0.000000 0.000000\n-2.364504 6.905057 0.000000\n-0.278963 -2.919964 7.004196\nMg Si\n8 6\ndirect\n0.159023 0.823090 0.753232 Mg\n0.223061 0.108576 0.180803 Mg\n0.591931 0.340361 0.612832 Mg\n0.965291 0.025898 0.512512 Mg\n0.375357 0.823225 0.379443 Mg\n0.727302 0.520541 0.281320 Mg\n0.789558 0.161762 0.912107 Mg\n0.599965 0.734358 0.998054 Mg\n0.734720 0.141469 0.268285 Si\n0.117842 0.425264 0.778319 Si\n0.358334 0.273714 0.915225 Si\n0.052464 0.678960 0.051833 Si\n0.165651 0.446095 0.470829 Si\n0.639560 0.746846 0.635305 Si\n",
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{
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{
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