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{
"id": "jvasp-93323",
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"structure_string": "Ca4 Mg2\n1.0\n3.762704 -0.000000 0.000000\n-1.881352 3.258597 -0.000000\n0.000000 0.000000 17.267411\nCa Mg\n4 2\ndirect\n0.333333 0.666668 0.907539 Ca\n0.666667 0.333333 0.722757 Ca\n0.333333 0.666668 0.277243 Ca\n0.666667 0.333333 0.092461 Ca\n0.333333 0.666668 0.567608 Mg\n0.666667 0.333333 0.432392 Mg\n",
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{
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"structure_string": "Ca2 Mg4\n1.0\n6.107654 0.000000 -0.000000\n-3.053827 5.289383 0.000000\n0.000000 -0.000000 5.304751\nCa Mg\n2 4\ndirect\n0.333332 0.666667 0.500000 Ca\n0.666666 0.333333 0.500000 Ca\n0.696345 0.000000 0.000000 Mg\n-0.000001 0.696345 0.000000 Mg\n0.303654 0.303654 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n",
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{
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"structure_string": "Ca3 Mg3\n1.0\n3.688936 0.000000 0.000000\n-1.844468 3.194711 -0.000000\n-0.000000 -0.000000 16.456631\nCa Mg\n3 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666668 0.333333 0.333333 Ca\n0.333333 0.666667 0.666667 Ca\n0.333333 0.666667 0.166667 Mg\n0.000000 0.000000 0.500000 Mg\n0.666668 0.333333 0.833333 Mg\n",
"nsites": 6,
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"spacegroup": 166
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{
"id": "jvasp-78807",
"created_at": "2022-09-04T14:37:10.037159Z",
"updated_at": "2022-09-04T14:37:10.037180Z",
"structure_string": "Ca2 Mg2\n1.0\n5.545866 0.000000 0.000000\n0.000000 5.558475 0.000000\n0.000000 0.000000 3.964534\nCa Mg\n2 2\ndirect\n0.000000 0.000000 -0.000032 Ca\n0.500000 0.500000 0.000032 Ca\n0.500000 0.000000 0.500001 Mg\n0.000000 0.500000 0.499998 Mg\n",
"nsites": 4,
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"elements": [
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"formula_full": "Ca2 Mg2",
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"spacegroup": 221
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{
"id": "jvasp-85040",
"created_at": "2022-09-04T14:37:15.401733Z",
"updated_at": "2022-09-04T14:37:15.401764Z",
"structure_string": "Ca3 Mg1\n1.0\n4.793970 0.000000 0.000000\n0.000000 5.407017 0.000000\n0.000000 0.000000 5.412833\nCa Mg\n3 1\ndirect\n0.000000 0.000000 -0.083367 Ca\n0.500000 0.000000 0.416647 Ca\n0.500000 0.500000 0.916696 Ca\n0.000000 0.500000 0.416689 Mg\n",
"nsites": 4,
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"elements": [
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"formula_full": "Ca3 Mg1",
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"spacegroup": 123
},
{
"id": "jvasp-78805",
"created_at": "2022-09-04T14:37:09.944758Z",
"updated_at": "2022-09-04T14:37:09.944776Z",
"structure_string": "Ca2 Mg2\n1.0\n3.673786 0.000000 -0.000000\n-1.836893 3.181592 0.000000\n0.000000 0.000000 11.050203\nCa Mg\n2 2\ndirect\n0.666668 0.333333 0.645100 Ca\n0.333334 0.666667 0.354900 Ca\n0.333334 0.666667 0.891255 Mg\n0.666668 0.333333 0.108745 Mg\n",
"nsites": 4,
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"elements": [
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"spacegroup": 164
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{
"id": "jvasp-78309",
"created_at": "2022-09-04T14:37:09.096008Z",
"updated_at": "2022-09-04T14:37:09.096029Z",
"structure_string": "Ca1 Mg1\n1.0\n3.693766 -0.000000 0.000000\n-1.846882 3.198895 -0.000000\n-0.000000 -0.000000 5.482306\nCa Mg\n1 1\ndirect\n0.333334 0.666668 0.500000 Ca\n0.000000 0.000000 0.000000 Mg\n",
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"elements": [
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"volume": 64.77876097123485,
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"formula_full": "Ca1 Mg1",
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"spacegroup": 187
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{
"id": "jvasp-78569",
"created_at": "2022-09-04T14:37:15.874517Z",
"updated_at": "2022-09-04T14:37:15.874540Z",
"structure_string": "Ca2 Mg2\n1.0\n5.573274 0.000000 0.000000\n0.000000 3.929295 0.000000\n-0.000000 0.000000 5.573738\nCa Mg\n2 2\ndirect\n0.749999 0.499999 0.250111 Ca\n0.250000 0.499999 0.749889 Ca\n0.749999 0.000000 0.750137 Mg\n0.250000 0.000000 0.249863 Mg\n",
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"spacegroup": 221
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{
"id": "jvasp-93523",
"created_at": "2022-09-04T14:35:59.108931Z",
"updated_at": "2022-09-04T14:35:59.108970Z",
"structure_string": "Ca3 Mg3\n1.0\n3.693247 0.000000 0.000000\n-1.846624 3.198446 0.000000\n0.000000 0.000000 16.533238\nCa Mg\n3 3\ndirect\n0.333334 0.666668 0.842938 Ca\n0.000000 0.000000 0.648773 Ca\n0.333334 0.666668 0.175137 Ca\n0.000000 0.000000 0.008810 Mg\n0.333334 0.666668 0.484546 Mg\n0.000000 0.000000 0.339797 Mg\n",
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"formula_full": "Ca3 Mg3",
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"spacegroup": 156
},
{
"id": "jvasp-93319",
"created_at": "2022-09-04T14:36:01.068935Z",
"updated_at": "2022-09-04T14:36:01.068945Z",
"structure_string": "Ca2 Mg4\n1.0\n3.558491 0.000000 0.000000\n-1.779246 3.081744 0.000000\n0.000000 0.000000 16.049732\nCa Mg\n2 4\ndirect\n0.000000 0.000000 0.325118 Ca\n0.000000 0.000000 0.674882 Ca\n0.000000 0.000000 0.000000 Mg\n0.666666 0.333333 0.152626 Mg\n0.666666 0.333333 0.500000 Mg\n0.666666 0.333333 0.847374 Mg\n",
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},
{
"id": "jvasp-91877",
"created_at": "2022-09-04T14:35:57.488990Z",
"updated_at": "2022-09-04T14:35:57.489009Z",
"structure_string": "Ca1 Mg7\n1.0\n6.650862 -0.000000 -0.000000\n-3.325432 5.759815 -0.000000\n-0.000000 0.000000 5.215014\nCa Mg\n1 7\ndirect\n0.166667 0.333333 0.250000 Ca\n0.173510 0.836755 0.250000 Mg\n0.663246 0.326491 0.250000 Mg\n0.663246 0.836755 0.250000 Mg\n0.337817 0.162183 0.749999 Mg\n0.337817 0.675635 0.749999 Mg\n0.824365 0.162183 0.749999 Mg\n0.833333 0.666668 0.749999 Mg\n",
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{
"id": "jvasp-93525",
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"structure_string": "Ca2 Mg4\n1.0\n3.541577 0.000000 0.000000\n-1.770789 3.067096 0.000000\n-0.000000 -0.000000 16.102171\nCa Mg\n2 4\ndirect\n0.666668 0.333333 0.100428 Ca\n0.333333 0.666668 0.899572 Ca\n0.333333 0.666668 0.272134 Mg\n0.666668 0.333333 0.424503 Mg\n0.333333 0.666668 0.575497 Mg\n0.666668 0.333333 0.727866 Mg\n",
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}