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{
"id": "jvasp-93082",
"created_at": "2022-09-04T14:35:43.261737Z",
"updated_at": "2022-09-04T14:35:43.261766Z",
"structure_string": "Mg6 Cr1 Si1\n1.0\n6.134066 0.038479 0.000000\n-3.033709 5.254538 0.000000\n0.000000 0.000000 4.918482\nMg Cr Si\n6 1 1\ndirect\n0.665778 0.333839 0.250000 Mg\n0.665778 0.831938 0.250000 Mg\n0.330140 0.162176 0.750000 Mg\n0.330140 0.667966 0.750000 Mg\n0.840726 0.170363 0.750000 Mg\n0.842842 0.671422 0.750000 Mg\n0.163685 0.831842 0.250000 Cr\n0.160915 0.330457 0.250000 Si\n",
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{
"id": "jvasp-93085",
"created_at": "2022-09-04T14:35:46.427157Z",
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"structure_string": "Mg6 Si1 Mo1\n1.0\n6.081900 0.019475 0.000000\n-3.024084 5.276817 0.000000\n0.000000 0.000000 4.761355\nMg Si Mo\n6 1 1\ndirect\n0.172078 0.845196 0.250000 Mg\n0.654805 0.327923 0.250000 Mg\n0.667529 0.832473 0.250000 Mg\n0.328278 0.665594 0.749999 Mg\n0.834408 0.171723 0.749999 Mg\n0.831390 0.668612 0.749999 Mg\n0.190925 0.309076 0.250000 Si\n0.320593 0.179408 0.749999 Mo\n",
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{
"id": "jvasp-93086",
"created_at": "2022-09-04T14:35:48.465203Z",
"updated_at": "2022-09-04T14:35:48.465217Z",
"structure_string": "Na1 Sr1 Mg6\n1.0\n7.065786 -0.196899 0.000000\n-3.703413 6.020700 0.000000\n0.000000 0.000000 5.316373\nNa Sr Mg\n1 1 6\ndirect\n0.148281 0.351720 0.250000 Na\n0.315613 0.184387 0.750000 Sr\n0.176309 0.825989 0.250000 Mg\n0.674012 0.323692 0.250000 Mg\n0.689698 0.810303 0.250000 Mg\n0.335421 0.693833 0.750000 Mg\n0.806167 0.164579 0.750000 Mg\n0.854504 0.645497 0.750000 Mg\n",
"nsites": 8,
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"elements": [
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"Sr",
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],
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"density": 1.9156685981370511,
"density_atomic": 0.03598950656950128,
"volume": 222.28701537073783,
"volume_molar": 16.733046196035836,
"formula_full": "Na1 Sr1 Mg6",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-93088",
"created_at": "2022-09-04T14:35:50.492967Z",
"updated_at": "2022-09-04T14:35:50.492984Z",
"structure_string": "Mg6 Si1 C1\n1.0\n7.224316 -0.920649 0.000000\n-4.409462 5.796115 0.000000\n0.000000 0.000000 4.345115\nMg Si C\n6 1 1\ndirect\n0.180363 0.850262 0.250000 Mg\n0.649740 0.319638 0.250000 Mg\n0.683146 0.816856 0.250000 Mg\n0.320231 0.687795 0.750001 Mg\n0.812207 0.179770 0.750001 Mg\n0.816726 0.683276 0.750001 Mg\n0.104166 0.395834 0.250000 Si\n0.433428 0.066572 0.750001 C\n",
"nsites": 8,
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"elements": [
"Mg",
"Si",
"C"
],
"chemical_system": "C-Mg-Si",
"density": 1.8790688441567212,
"density_atomic": 0.048690360287696306,
"volume": 164.30356959222462,
"volume_molar": 12.368240293185405,
"formula_full": "Mg6 Si1 C1",
"formula_reduced": "Mg6SiC",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-93089",
"created_at": "2022-09-04T14:35:52.138925Z",
"updated_at": "2022-09-04T14:35:52.138942Z",
"structure_string": "Mg6 Si1 W1\n1.0\n6.071978 -0.004138 0.000000\n-3.039573 5.256419 0.000000\n0.000000 0.000000 4.779705\nMg Si W\n6 1 1\ndirect\n0.173758 0.843754 0.250000 Mg\n0.656246 0.326243 0.250000 Mg\n0.668927 0.831073 0.250000 Mg\n0.327331 0.669088 0.749999 Mg\n0.830912 0.172669 0.749999 Mg\n0.830055 0.669945 0.749999 Mg\n0.194705 0.305295 0.250000 Si\n0.318070 0.181930 0.749999 W\n",
"nsites": 8,
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"elements": [
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"Si",
"W"
],
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"density": 3.895698495724532,
"density_atomic": 0.052461403853482774,
"volume": 152.49305989490597,
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"formula_full": "Mg6 Si1 W1",
"formula_reduced": "Mg6SiW",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-93090",
"created_at": "2022-09-04T14:35:54.197877Z",
"updated_at": "2022-09-04T14:35:54.197903Z",
"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",
"nsites": 8,
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"elements": [
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"Ga",
"Si"
],
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"density": 2.462070286661022,
"density_atomic": 0.048685027472784796,
"volume": 164.32156692264465,
"volume_molar": 12.369595073899077,
"formula_full": "Mg6 Ga1 Si1",
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{
"id": "jvasp-93091",
"created_at": "2022-09-04T14:35:56.311122Z",
"updated_at": "2022-09-04T14:35:56.311147Z",
"structure_string": "Mg6 Si1 B1\n1.0\n6.163209 0.921959 0.000000\n-2.283165 5.798474 0.000000\n0.000000 0.000000 4.011434\nMg Si B\n6 1 1\ndirect\n0.186769 0.941767 0.250000 Mg\n0.558233 0.313231 0.250000 Mg\n0.629606 0.870394 0.250000 Mg\n0.336241 0.600470 0.749999 Mg\n0.899530 0.163759 0.749999 Mg\n0.856011 0.643989 0.749999 Mg\n0.048614 0.451386 0.250000 Si\n0.485002 0.014998 0.749999 B\n",
"nsites": 8,
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"elements": [
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"Si",
"B"
],
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"density": 2.0207024455462412,
"density_atomic": 0.052700417386183494,
"volume": 151.8014542726822,
"volume_molar": 11.427121565034946,
"formula_full": "Mg6 Si1 B1",
"formula_reduced": "Mg6SiB",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-93092",
"created_at": "2022-09-04T14:35:58.587433Z",
"updated_at": "2022-09-04T14:35:58.587460Z",
"structure_string": "Mg6 Si1 W1\n1.0\n6.029818 0.216007 0.000000\n-2.827841 4.897963 0.000000\n0.000000 0.000000 5.015868\nMg Si W\n6 1 1\ndirect\n0.653465 0.327324 0.250000 Mg\n0.653465 0.826141 0.250000 Mg\n0.338086 0.160492 0.750000 Mg\n0.338086 0.677594 0.750000 Mg\n0.854935 0.177468 0.750000 Mg\n0.855306 0.677653 0.750000 Mg\n0.156834 0.328416 0.250000 Si\n0.149825 0.824912 0.250000 W\n",
"nsites": 8,
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"elements": [
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"W"
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"density": 3.928972088585048,
"density_atomic": 0.05290948252143607,
"volume": 151.2016300057146,
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"formula_full": "Mg6 Si1 W1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-93093",
"created_at": "2022-09-04T14:36:00.260507Z",
"updated_at": "2022-09-04T14:36:00.260531Z",
"structure_string": "Mg6 Cr1 Si1\n1.0\n6.152093 0.029452 0.000000\n-3.050540 5.342594 0.000000\n0.000000 0.000000 4.811936\nMg Cr Si\n6 1 1\ndirect\n0.169404 0.844658 0.250000 Mg\n0.655341 0.330595 0.250000 Mg\n0.668030 0.831968 0.250000 Mg\n0.331155 0.661061 0.750001 Mg\n0.838937 0.168844 0.750001 Mg\n0.834719 0.665280 0.750001 Mg\n0.322815 0.177184 0.750001 Cr\n0.179594 0.320405 0.250000 Si\n",
"nsites": 8,
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"elements": [
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],
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"density": 2.3654142299722336,
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"formula_full": "Mg6 Cr1 Si1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-93095",
"created_at": "2022-09-04T14:36:02.730543Z",
"updated_at": "2022-09-04T14:36:02.730576Z",
"structure_string": "Rb1 Mg6 B1\n1.0\n8.359936 0.111553 0.000000\n-4.083360 7.295694 0.000000\n0.000000 0.000000 3.272517\nRb Mg B\n1 6 1\ndirect\n0.161441 0.338558 0.250000 Rb\n0.170785 0.940324 0.250000 Mg\n0.559676 0.329215 0.250000 Mg\n0.713539 0.786460 0.250000 Mg\n0.372793 0.792472 0.750001 Mg\n0.707528 0.127206 0.750001 Mg\n0.913842 0.586158 0.750001 Mg\n0.400396 0.099604 0.750001 B\n",
"nsites": 8,
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"elements": [
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],
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"density": 1.9992944114709357,
"density_atomic": 0.039783873599704304,
"volume": 201.086502548597,
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"formula_full": "Rb1 Mg6 B1",
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"spacegroup": 38
},
{
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"created_at": "2022-09-04T14:36:05.715523Z",
"updated_at": "2022-09-04T14:36:05.715539Z",
"structure_string": "Mg6 Si1 B1\n1.0\n5.904344 -1.396448 0.000000\n-4.161530 7.207982 0.000000\n0.000000 0.000000 4.103192\nMg Si B\n6 1 1\ndirect\n0.776410 0.389728 0.250000 Mg\n0.776409 0.886682 0.250000 Mg\n0.264734 0.056958 0.750000 Mg\n0.264734 0.707778 0.750000 Mg\n0.887071 0.193537 0.750000 Mg\n0.683254 0.591627 0.750000 Mg\n0.272197 0.386098 0.250000 Si\n0.075184 0.787591 0.250000 B\n",
"nsites": 8,
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"volume": 150.78018118403935,
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"formula_full": "Mg6 Si1 B1",
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},
{
"id": "jvasp-931",
"created_at": "2022-09-04T14:37:50.885111Z",
"updated_at": "2022-09-04T14:37:50.885133Z",
"structure_string": "Na2\n1.0\n1.861128 -3.223567 0.000000\n1.861128 3.223567 0.000000\n0.000000 0.000000 6.075473\nNa\n2\ndirect\n0.333333 0.666668 0.250000 Na\n0.666668 0.333333 0.750000 Na\n",
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"spacegroup": 194
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}