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{
"id": "jvasp-92858",
"created_at": "2022-09-04T14:35:56.309976Z",
"updated_at": "2022-09-04T14:35:56.310009Z",
"structure_string": "Mg6 Nb1 Sb1\n1.0\n6.243467 0.152506 0.000000\n-2.989660 5.178242 0.000000\n0.000000 0.000000 5.224658\nMg Nb Sb\n6 1 1\ndirect\n0.661878 0.328707 0.250000 Mg\n0.661878 0.833169 0.250000 Mg\n0.337381 0.180125 0.750000 Mg\n0.337381 0.657255 0.750000 Mg\n0.849567 0.174784 0.750000 Mg\n0.830605 0.665302 0.750000 Mg\n0.161356 0.330676 0.250000 Nb\n0.159957 0.829978 0.250000 Sb\n",
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{
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"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",
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{
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"updated_at": "2022-09-04T14:35:51.705918Z",
"structure_string": "Cu1 Mo1 F6\n1.0\n5.015903 0.029310 0.017017\n2.476033 3.685986 2.332709\n-0.016939 -0.081030 5.538432\nCu Mo F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Mo\n0.737087 0.848990 0.261158 F\n0.262911 0.151011 0.738842 F\n0.585987 0.524294 0.738869 F\n0.414011 0.475707 0.261131 F\n0.110436 0.152519 0.261205 F\n0.889562 0.847482 0.738795 F\n",
"nsites": 8,
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"elements": [
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"density_atomic": 0.07771500600853175,
"volume": 102.94022236994667,
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"formula_full": "Cu1 Mo1 F6",
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"spacegroup": 148
},
{
"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"
],
"chemical_system": "Ga-Mg-Si",
"density": 2.462070286661022,
"density_atomic": 0.048685027472784796,
"volume": 164.32156692264465,
"volume_molar": 12.369595073899077,
"formula_full": "Mg6 Ga1 Si1",
"formula_reduced": "Mg6GaSi",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-94246",
"created_at": "2022-09-04T14:35:56.463108Z",
"updated_at": "2022-09-04T14:35:56.463132Z",
"structure_string": "Na1 Mg6 Fe1\n1.0\n7.179981 -1.923909 0.000000\n-5.256108 9.104028 0.000000\n0.000000 0.000000 3.184784\nNa Mg Fe\n1 6 1\ndirect\n0.250229 0.875115 0.250000 Na\n0.749664 0.374824 0.250000 Mg\n0.749664 0.874841 0.250000 Mg\n0.249776 0.165825 0.749999 Mg\n0.249764 0.583944 0.749999 Mg\n0.832148 0.166071 0.749999 Mg\n0.668375 0.584191 0.749999 Mg\n0.250377 0.375188 0.250000 Fe\n",
"nsites": 8,
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"elements": [
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],
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"density": 2.1200037799216602,
"density_atomic": 0.04546137329763817,
"volume": 175.97356656217906,
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"formula_full": "Na1 Mg6 Fe1",
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"formula_anonymous": "ABC6",
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"spacegroup": 123
},
{
"id": "jvasp-93183",
"created_at": "2022-09-04T14:35:55.605493Z",
"updated_at": "2022-09-04T14:35:55.605523Z",
"structure_string": "K1 Mg6 Ga1\n1.0\n7.747168 -0.852108 0.000000\n-4.611532 6.283189 0.000000\n0.000000 0.000000 4.749290\nK Mg Ga\n1 6 1\ndirect\n0.213964 0.286036 0.250000 K\n0.170441 0.819324 0.250000 Mg\n0.680676 0.329559 0.250000 Mg\n0.630852 0.869148 0.250000 Mg\n0.303788 0.686438 0.750000 Mg\n0.813562 0.196212 0.750000 Mg\n0.798467 0.701533 0.750000 Mg\n0.388252 0.111748 0.750000 Ga\n",
"nsites": 8,
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"elements": [
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"density": 1.9897500508693449,
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"formula_full": "K1 Mg6 Ga1",
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{
"id": "jvasp-92925",
"created_at": "2022-09-04T14:36:01.715972Z",
"updated_at": "2022-09-04T14:36:01.716003Z",
"structure_string": "Mg6 Cd1 Ga1\n1.0\n6.218129 -0.019742 0.000000\n-3.126161 5.375187 0.000000\n0.000000 0.000000 5.160181\nMg Cd Ga\n6 1 1\ndirect\n0.163709 0.846749 0.250000 Mg\n0.653252 0.336292 0.250000 Mg\n0.664257 0.835744 0.250000 Mg\n0.338139 0.657423 0.750000 Mg\n0.842577 0.161862 0.750000 Mg\n0.836140 0.663861 0.750000 Mg\n0.154029 0.345972 0.250000 Cd\n0.347900 0.152100 0.750000 Ga\n",
"nsites": 8,
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"elements": [
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"Cd",
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],
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"density": 3.163440695729609,
"density_atomic": 0.04647018614769804,
"volume": 172.15338829444931,
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"formula_full": "Mg6 Cd1 Ga1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-94185",
"created_at": "2022-09-04T14:35:48.874040Z",
"updated_at": "2022-09-04T14:35:48.874072Z",
"structure_string": "Mg6 Cr1 Cu1\n1.0\n6.096692 0.035820 0.000000\n-3.017326 5.297800 0.000000\n0.000000 0.000000 4.875717\nMg Cr Cu\n6 1 1\ndirect\n0.165505 0.850304 0.250000 Mg\n0.649695 0.334494 0.250000 Mg\n0.662610 0.837389 0.250000 Mg\n0.327365 0.648100 0.750000 Mg\n0.851900 0.172634 0.750000 Mg\n0.835522 0.664477 0.750000 Mg\n0.333816 0.166184 0.750000 Cr\n0.173582 0.326418 0.250000 Cu\n",
"nsites": 8,
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],
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"density": 2.74681360462419,
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"volume": 158.00802145388485,
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"formula_full": "Mg6 Cr1 Cu1",
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"spacegroup": 38
},
{
"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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"formula_full": "Mg6 Si1 B1",
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"spacegroup": 38
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{
"id": "jvasp-91954",
"created_at": "2022-09-04T14:35:56.305731Z",
"updated_at": "2022-09-04T14:35:56.305761Z",
"structure_string": "Rb1 Mg6 Fe1\n1.0\n8.333731 0.337389 0.000000\n-3.874654 6.710679 0.000000\n0.000000 0.000000 4.008049\nRb Mg Fe\n1 6 1\ndirect\n0.073404 0.786688 0.250000 Rb\n0.628431 0.261965 0.250000 Mg\n0.628422 0.866474 0.250000 Mg\n0.316520 0.218881 0.750000 Mg\n0.316518 0.597630 0.750000 Mg\n0.918100 0.209047 0.750000 Mg\n0.672143 0.586082 0.750000 Mg\n0.446460 0.473231 0.250000 Fe\n",
"nsites": 8,
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],
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"density_atomic": 0.03487514922758951,
"volume": 229.38969946173737,
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{
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"created_at": "2022-09-04T14:35:53.660504Z",
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"structure_string": "Mg6 Nb1 W1\n1.0\n6.236664 -0.136861 0.000000\n-3.236857 5.332679 0.000000\n0.000000 0.000000 4.802721\nMg Nb W\n6 1 1\ndirect\n0.183738 0.834068 0.250000 Mg\n0.665932 0.316262 0.250000 Mg\n0.669336 0.830664 0.250000 Mg\n0.318410 0.668049 0.750000 Mg\n0.831951 0.181589 0.750000 Mg\n0.828833 0.671166 0.750000 Mg\n0.190802 0.309198 0.250000 Nb\n0.310994 0.189006 0.750000 W\n",
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{
"id": "jvasp-94124",
"created_at": "2022-09-04T14:35:56.295372Z",
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"structure_string": "Mg6 V1 Ni1\n1.0\n6.104857 0.141998 0.000000\n-2.929454 5.073964 0.000000\n0.000000 0.000000 4.728739\nMg V Ni\n6 1 1\ndirect\n0.651382 0.327085 0.250000 Mg\n0.651382 0.824295 0.250000 Mg\n0.328274 0.162716 0.750000 Mg\n0.328274 0.665558 0.750000 Mg\n0.872176 0.186088 0.750000 Mg\n0.850883 0.675441 0.750000 Mg\n0.147843 0.823920 0.250000 V\n0.169790 0.334894 0.250000 Ni\n",
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