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{
"id": "jvasp-92905",
"created_at": "2022-09-04T14:35:58.194192Z",
"updated_at": "2022-09-04T14:35:58.194213Z",
"structure_string": "Ba1 Mg6 C1\n1.0\n8.006859 0.052840 0.000000\n-3.957669 6.960563 0.000000\n0.000000 0.000000 3.467865\nBa Mg C\n1 6 1\ndirect\n0.152314 0.347686 0.250000 Ba\n0.202273 0.956170 0.250000 Mg\n0.543830 0.297726 0.250000 Mg\n0.713584 0.786416 0.250000 Mg\n0.367523 0.790436 0.750001 Mg\n0.709563 0.132477 0.750001 Mg\n0.912791 0.587208 0.750001 Mg\n0.398121 0.101879 0.750001 C\n",
"nsites": 8,
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{
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"created_at": "2022-09-04T14:35:48.415040Z",
"updated_at": "2022-09-04T14:35:48.415066Z",
"structure_string": "Mg6 Sb1 W1\n1.0\n6.081450 0.063744 0.000000\n-2.985522 5.298561 0.000000\n0.000000 0.000000 5.020053\nMg Sb W\n6 1 1\ndirect\n0.162085 0.823676 0.250000 Mg\n0.676324 0.337915 0.250000 Mg\n0.666094 0.833905 0.250000 Mg\n0.324434 0.652768 0.750000 Mg\n0.847231 0.175566 0.750000 Mg\n0.832158 0.667841 0.750000 Mg\n0.324978 0.175022 0.750000 Sb\n0.166697 0.333303 0.250000 W\n",
"nsites": 8,
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{
"id": "jvasp-93160",
"created_at": "2022-09-04T14:35:47.315839Z",
"updated_at": "2022-09-04T14:35:47.315865Z",
"structure_string": "Li1 Mg6 Sb1\n1.0\n6.372989 0.023311 0.000000\n-3.166308 5.530825 0.000000\n0.000000 0.000000 5.073898\nLi Mg Sb\n1 6 1\ndirect\n0.166690 0.333310 0.250000 Li\n0.163104 0.821549 0.250000 Mg\n0.678451 0.336896 0.250000 Mg\n0.664122 0.835879 0.250000 Mg\n0.332910 0.663809 0.750000 Mg\n0.836192 0.167090 0.750000 Mg\n0.831604 0.668396 0.750000 Mg\n0.326924 0.173076 0.750000 Sb\n",
"nsites": 8,
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"elements": [
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"density": 2.5436491035442677,
"density_atomic": 0.04463820246423185,
"volume": 179.2186862006892,
"volume_molar": 13.491001939035252,
"formula_full": "Li1 Mg6 Sb1",
"formula_reduced": "LiMg6Sb",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-93144",
"created_at": "2022-09-04T14:35:57.301131Z",
"updated_at": "2022-09-04T14:35:57.301164Z",
"structure_string": "Na1 Mg6 Si1\n1.0\n6.358379 0.007213 0.000000\n-3.172943 5.510124 0.000000\n0.000000 0.000000 5.053760\nNa Mg Si\n1 6 1\ndirect\n0.328767 0.171233 0.750000 Na\n0.164221 0.825831 0.250000 Mg\n0.674169 0.335778 0.250000 Mg\n0.668883 0.831117 0.250000 Mg\n0.328743 0.659034 0.750000 Mg\n0.840965 0.171256 0.750000 Mg\n0.835526 0.664473 0.750000 Mg\n0.158726 0.341274 0.250000 Si\n",
"nsites": 8,
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"elements": [
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"Mg",
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],
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"density": 1.845442143683267,
"density_atomic": 0.04515272708820776,
"volume": 177.17645236292512,
"volume_molar": 13.33726919358712,
"formula_full": "Na1 Mg6 Si1",
"formula_reduced": "NaMg6Si",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-94191",
"created_at": "2022-09-04T14:35:55.238614Z",
"updated_at": "2022-09-04T14:35:55.238639Z",
"structure_string": "Mg6 V1 Co1\n1.0\n6.086982 0.171690 0.000000\n-2.894803 5.013946 0.000000\n0.000000 0.000000 4.739832\nMg V Co\n6 1 1\ndirect\n0.652477 0.327254 0.250000 Mg\n0.652478 0.825223 0.250000 Mg\n0.328319 0.164682 0.750000 Mg\n0.328319 0.663637 0.750000 Mg\n0.873945 0.186973 0.750000 Mg\n0.853702 0.676852 0.750000 Mg\n0.148338 0.824170 0.250000 V\n0.162423 0.331211 0.250000 Co\n",
"nsites": 8,
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"elements": [
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"V",
"Co"
],
"chemical_system": "Co-Mg-V",
"density": 2.8882032502738153,
"density_atomic": 0.05441641663294179,
"volume": 147.01445804421235,
"volume_molar": 11.066772001217013,
"formula_full": "Mg6 V1 Co1",
"formula_reduced": "Mg6VCo",
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"spacegroup": 38
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{
"id": "jvasp-94097",
"created_at": "2022-09-04T14:35:51.000764Z",
"updated_at": "2022-09-04T14:35:51.000781Z",
"structure_string": "Mg6 Ni1 W1\n1.0\n6.136312 -0.166949 0.000000\n-3.212739 5.230727 0.000000\n0.000000 0.000000 4.702060\nMg Ni W\n6 1 1\ndirect\n0.177174 0.846957 0.250000 Mg\n0.653043 0.322826 0.250000 Mg\n0.673971 0.826029 0.250000 Mg\n0.321924 0.666534 0.750000 Mg\n0.833466 0.178076 0.750000 Mg\n0.829717 0.670283 0.750000 Mg\n0.199780 0.300220 0.250000 Ni\n0.310925 0.189075 0.750000 W\n",
"nsites": 8,
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"elements": [
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"W"
],
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"density": 4.345585931620706,
"density_atomic": 0.05390771668790484,
"volume": 148.40175936805988,
"volume_molar": 11.171203549326316,
"formula_full": "Mg6 Ni1 W1",
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{
"id": "jvasp-92921",
"created_at": "2022-09-04T14:35:55.095579Z",
"updated_at": "2022-09-04T14:35:55.095610Z",
"structure_string": "Hf1 Mg6 W1\n1.0\n6.309836 0.313439 0.000000\n-2.883472 4.994319 0.000000\n0.000000 0.000000 5.025820\nHf Mg W\n1 6 1\ndirect\n0.150618 0.825308 0.250000 Hf\n0.650463 0.325440 0.250000 Mg\n0.650463 0.825022 0.250000 Mg\n0.331970 0.173150 0.750000 Mg\n0.331970 0.658823 0.750000 Mg\n0.878772 0.189388 0.750000 Mg\n0.849521 0.674761 0.750000 Mg\n0.156227 0.328112 0.250000 W\n",
"nsites": 8,
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"elements": [
"Hf",
"Mg",
"W"
],
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"density": 5.179264960480201,
"density_atomic": 0.04910305830624418,
"volume": 162.92264221315685,
"volume_molar": 12.264288554984356,
"formula_full": "Hf1 Mg6 W1",
"formula_reduced": "HfMg6W",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-94147",
"created_at": "2022-09-04T14:35:53.406388Z",
"updated_at": "2022-09-04T14:35:53.406413Z",
"structure_string": "Mg6 Co1 Sb1\n1.0\n6.403108 -0.108732 0.000000\n-3.295718 5.490888 0.000000\n0.000000 0.000000 4.771577\nMg Co Sb\n6 1 1\ndirect\n0.167251 0.812842 0.250000 Mg\n0.687158 0.332749 0.250000 Mg\n0.668551 0.831450 0.250000 Mg\n0.327205 0.636195 0.750000 Mg\n0.863805 0.172795 0.750000 Mg\n0.832722 0.667279 0.750000 Mg\n0.121463 0.378537 0.250000 Co\n0.331845 0.168155 0.750000 Sb\n",
"nsites": 8,
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"elements": [
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],
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"density": 3.2652540485841364,
"density_atomic": 0.048177452151977,
"volume": 166.05278284048305,
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"formula_full": "Mg6 Co1 Sb1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-91953",
"created_at": "2022-09-04T14:35:53.194800Z",
"updated_at": "2022-09-04T14:35:53.194825Z",
"structure_string": "Mg6 Fe1 Si1\n1.0\n6.038016 -0.023396 0.000000\n-3.039269 5.264169 0.000000\n0.000000 0.000000 4.804767\nMg Fe Si\n6 1 1\ndirect\n0.667533 0.332225 0.250000 Mg\n0.667533 0.835306 0.250000 Mg\n0.325427 0.170002 0.750001 Mg\n0.325427 0.655424 0.750001 Mg\n0.847891 0.173945 0.750001 Mg\n0.839611 0.669805 0.750001 Mg\n0.165132 0.332565 0.250000 Fe\n0.161450 0.830725 0.250000 Si\n",
"nsites": 8,
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"elements": [
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"volume": 152.37852435425057,
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"formula_full": "Mg6 Fe1 Si1",
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"spacegroup": 38
},
{
"id": "jvasp-94805",
"created_at": "2022-09-04T14:36:00.090655Z",
"updated_at": "2022-09-04T14:36:00.090680Z",
"structure_string": "K1 Mg6 Sn1\n1.0\n7.771446 0.840565 0.000000\n-3.157773 5.469423 0.000000\n0.000000 0.000000 4.966167\nK Mg Sn\n1 6 1\ndirect\n0.091482 0.795740 0.250000 K\n0.641968 0.308844 0.250000 Mg\n0.641968 0.833122 0.250000 Mg\n0.362772 0.172465 0.750000 Mg\n0.362772 0.690307 0.750000 Mg\n0.865412 0.182706 0.750000 Mg\n0.753705 0.626852 0.750000 Mg\n0.279930 0.389966 0.250000 Sn\n",
"nsites": 8,
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],
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"density": 2.248194431705306,
"density_atomic": 0.03567123996743844,
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{
"id": "jvasp-94202",
"created_at": "2022-09-04T14:35:58.491235Z",
"updated_at": "2022-09-04T14:35:58.491264Z",
"structure_string": "Ce1 Mg6 Co1\n1.0\n6.781676 -0.334799 0.000000\n-3.680783 5.705703 0.000000\n0.000000 0.000000 4.828850\nCe Mg Co\n1 6 1\ndirect\n0.287227 0.212773 0.750000 Ce\n0.175347 0.840439 0.250000 Mg\n0.659561 0.324653 0.250000 Mg\n0.683788 0.816212 0.250000 Mg\n0.316670 0.694565 0.750000 Mg\n0.805435 0.183330 0.750000 Mg\n0.844303 0.655698 0.750000 Mg\n0.227671 0.272328 0.250000 Co\n",
"nsites": 8,
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"density": 3.1657929055054272,
"density_atomic": 0.04422383437899515,
"volume": 180.8979278332259,
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"formula_full": "Ce1 Mg6 Co1",
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{
"id": "jvasp-94136",
"created_at": "2022-09-04T14:35:57.143612Z",
"updated_at": "2022-09-04T14:35:57.143630Z",
"structure_string": "Mg6 Co1 C1\n1.0\n6.868362 0.602229 0.000000\n-2.912636 6.249289 0.000000\n0.000000 0.000000 3.209947\nMg Co C\n6 1 1\ndirect\n0.224753 0.914350 0.250000 Mg\n0.585650 0.275247 0.250000 Mg\n0.640863 0.859137 0.250000 Mg\n0.337348 0.506346 0.750001 Mg\n0.993654 0.162652 0.750001 Mg\n0.857990 0.642010 0.750001 Mg\n0.023376 0.476624 0.250000 Co\n0.336364 0.163636 0.750001 C\n",
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"volume": 143.40904615043414,
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}