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{
"id": "jvasp-94754",
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"structure_string": "Mg6 Al1 Si1\n1.0\n6.140281 -0.041377 0.000000\n-3.105975 5.296952 0.000000\n0.000000 0.000000 5.081168\nMg Al Si\n6 1 1\ndirect\n0.166564 0.846000 0.250000 Mg\n0.654000 0.333435 0.250000 Mg\n0.665817 0.834182 0.250000 Mg\n0.335293 0.657601 0.750000 Mg\n0.842398 0.164706 0.750000 Mg\n0.835105 0.664894 0.750000 Mg\n0.158962 0.341038 0.250000 Al\n0.341860 0.158139 0.750000 Si\n",
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{
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"structure_string": "Mg6 Cr1 Cd1\n1.0\n6.254694 -0.003608 0.000000\n-3.130471 5.422135 0.000000\n0.000000 0.000000 4.968449\nMg Cr Cd\n6 1 1\ndirect\n0.667084 0.331221 0.250000 Mg\n0.667084 0.835861 0.250000 Mg\n0.328051 0.170793 0.750000 Mg\n0.328051 0.657257 0.750000 Mg\n0.842437 0.171219 0.750000 Mg\n0.834104 0.667051 0.750000 Mg\n0.164593 0.332296 0.250000 Cr\n0.168592 0.834295 0.250000 Cd\n",
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{
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"structure_string": "Sr1 Cr1 F6\n1.0\n4.666651 -0.003595 -0.684348\n-0.791511 4.599038 -0.684348\n-0.003031 -0.003595 4.716561\nSr Cr F\n1 1 6\ndirect\n0.500000 0.499999 0.499999 Sr\n0.000000 0.000000 0.000000 Cr\n0.720022 0.720022 0.076320 F\n0.720022 0.076319 0.720022 F\n0.279978 0.923679 0.279977 F\n0.279978 0.279976 0.923679 F\n0.923679 0.279976 0.279977 F\n0.076321 0.720022 0.720022 F\n",
"nsites": 8,
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"elements": [
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"volume": 101.1909324684687,
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"formula_full": "Sr1 Cr1 F6",
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"spacegroup": 166
},
{
"id": "jvasp-94120",
"created_at": "2022-09-04T14:35:48.676940Z",
"updated_at": "2022-09-04T14:35:48.676956Z",
"structure_string": "Mg6 Co1 Sb1\n1.0\n6.187216 -0.148609 0.000000\n-3.222306 5.581197 0.000000\n0.000000 0.000000 4.766004\nMg Co Sb\n6 1 1\ndirect\n0.679492 0.333401 0.250000 Mg\n0.679492 0.846089 0.250000 Mg\n0.321897 0.187624 0.749999 Mg\n0.321897 0.634274 0.749999 Mg\n0.847137 0.173569 0.749999 Mg\n0.819125 0.659563 0.749999 Mg\n0.158690 0.329345 0.250000 Co\n0.172272 0.836135 0.250000 Sb\n",
"nsites": 8,
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"elements": [
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],
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"density": 3.3408017539103256,
"density_atomic": 0.04929212681569034,
"volume": 162.29772413580446,
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"formula_full": "Mg6 Co1 Sb1",
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"spacegroup": 38
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{
"id": "jvasp-94100",
"created_at": "2022-09-04T14:35:59.583820Z",
"updated_at": "2022-09-04T14:35:59.583846Z",
"structure_string": "Mg6 Cr1 Ni1\n1.0\n5.823548 0.676763 0.000000\n-2.325680 5.381722 0.000000\n0.000000 0.000000 4.620110\nMg Cr Ni\n6 1 1\ndirect\n0.133091 0.901481 0.250000 Mg\n0.598518 0.366909 0.250000 Mg\n0.618932 0.881068 0.250000 Mg\n0.345549 0.580765 0.750000 Mg\n0.919235 0.154450 0.750000 Mg\n0.871315 0.628684 0.750000 Mg\n0.399150 0.100849 0.750000 Cr\n0.114211 0.385789 0.250000 Ni\n",
"nsites": 8,
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"elements": [
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],
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"density": 2.801095511626162,
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"volume": 152.0693062149135,
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"formula_full": "Mg6 Cr1 Ni1",
"formula_reduced": "Mg6CrNi",
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"spacegroup": 38
},
{
"id": "jvasp-91977",
"created_at": "2022-09-04T14:35:59.488981Z",
"updated_at": "2022-09-04T14:35:59.489010Z",
"structure_string": "Ni1 Sn1 F6\n1.0\n4.519369 0.056084 3.121600\n1.667367 4.200920 3.121601\n0.081506 0.056083 5.492035\nNi Sn F\n1 1 6\ndirect\n0.500001 0.499999 0.500000 Ni\n0.000000 0.000000 0.000000 Sn\n0.251192 0.898716 0.600940 F\n0.898718 0.600940 0.251191 F\n0.399060 0.748809 0.101283 F\n0.101284 0.399059 0.748809 F\n0.748810 0.101282 0.399060 F\n0.600942 0.251190 0.898717 F\n",
"nsites": 8,
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"formula_full": "Ni1 Sn1 F6",
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{
"id": "jvasp-94766",
"created_at": "2022-09-04T14:35:49.858067Z",
"updated_at": "2022-09-04T14:35:49.858082Z",
"structure_string": "Mg6 Al1 Mo1\n1.0\n6.154499 0.156648 0.000000\n-2.941589 5.094981 0.000000\n0.000000 0.000000 4.921030\nMg Al Mo\n6 1 1\ndirect\n0.656846 0.329097 0.250000 Mg\n0.656846 0.827749 0.250000 Mg\n0.332940 0.155431 0.750000 Mg\n0.332940 0.677510 0.750000 Mg\n0.848588 0.174295 0.750000 Mg\n0.857050 0.678526 0.750000 Mg\n0.161625 0.330812 0.250000 Al\n0.153165 0.826582 0.250000 Mo\n",
"nsites": 8,
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"density": 2.850186119922754,
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"volume": 156.576591940688,
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"formula_full": "Mg6 Al1 Mo1",
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{
"id": "jvasp-92883",
"created_at": "2022-09-04T14:35:59.418783Z",
"updated_at": "2022-09-04T14:35:59.418811Z",
"structure_string": "Mg6 Bi1 Mo1\n1.0\n6.173706 0.104237 0.000000\n-2.996581 5.398704 0.000000\n0.000000 0.000000 5.052175\nMg Bi Mo\n6 1 1\ndirect\n0.156192 0.820373 0.250000 Mg\n0.679627 0.343808 0.250000 Mg\n0.662761 0.837240 0.250000 Mg\n0.324704 0.646674 0.750001 Mg\n0.853327 0.175296 0.750001 Mg\n0.833890 0.666111 0.750001 Mg\n0.331973 0.168027 0.750001 Bi\n0.157531 0.342469 0.250000 Mo\n",
"nsites": 8,
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{
"id": "jvasp-94770",
"created_at": "2022-09-04T14:35:56.264042Z",
"updated_at": "2022-09-04T14:35:56.264079Z",
"structure_string": "Mg6 Al1 Cr1\n1.0\n6.215806 0.004033 0.000000\n-3.104410 5.385062 0.000000\n0.000000 0.000000 4.891166\nMg Al Cr\n6 1 1\ndirect\n0.171021 0.842709 0.250000 Mg\n0.657291 0.328979 0.250000 Mg\n0.668114 0.831885 0.250000 Mg\n0.330677 0.662323 0.750001 Mg\n0.837677 0.169323 0.750001 Mg\n0.833627 0.666372 0.750001 Mg\n0.175893 0.324106 0.250000 Al\n0.325703 0.174297 0.750001 Cr\n",
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},
{
"id": "jvasp-91821",
"created_at": "2022-09-04T14:35:57.363243Z",
"updated_at": "2022-09-04T14:35:57.363259Z",
"structure_string": "Rb1 Mg6 W1\n1.0\n6.554718 -1.756536 0.000000\n-4.798564 8.311355 0.000000\n0.000000 0.000000 4.263350\nRb Mg W\n1 6 1\ndirect\n0.250001 0.375001 0.250000 Rb\n0.749938 0.374955 0.250000 Mg\n0.749939 0.874981 0.250000 Mg\n0.249997 0.081919 0.750000 Mg\n0.249997 0.668079 0.750000 Mg\n0.663984 0.081993 0.750000 Mg\n0.836084 0.668041 0.750000 Mg\n0.250058 0.875028 0.250000 W\n",
"nsites": 8,
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],
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"density": 3.511261928296806,
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},
{
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"created_at": "2022-09-04T14:35:52.766335Z",
"updated_at": "2022-09-04T14:35:52.766361Z",
"structure_string": "Cr1 Hg1 F6\n1.0\n4.564305 0.020830 3.295330\n1.696599 4.237320 3.295329\n0.030628 0.020833 5.629489\nCr Hg F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500001 0.500000 0.500000 Hg\n0.382825 0.044865 0.794851 F\n0.044866 0.794851 0.382825 F\n0.205149 0.617175 0.955135 F\n0.955136 0.205148 0.617175 F\n0.617176 0.955135 0.205148 F\n0.794852 0.382824 0.044865 F\n",
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"formula_full": "Cr1 Hg1 F6",
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{
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"structure_string": "Mg6 Ga1 Si1\n1.0\n6.137309 -0.061782 0.000000\n-3.122160 5.284174 0.000000\n0.000000 0.000000 5.097184\nMg Ga Si\n6 1 1\ndirect\n0.159102 0.853602 0.250000 Mg\n0.646397 0.340897 0.250000 Mg\n0.659390 0.840610 0.250000 Mg\n0.338435 0.642011 0.749999 Mg\n0.857989 0.161565 0.749999 Mg\n0.838787 0.661213 0.749999 Mg\n0.360176 0.139824 0.749999 Ga\n0.139723 0.360277 0.250000 Si\n",
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