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{
"id": "jvasp-87003",
"created_at": "2022-09-04T14:36:05.247614Z",
"updated_at": "2022-09-04T14:36:05.247640Z",
"structure_string": "K1 As1 F6\n1.0\n4.846094 -0.021910 -0.673960\n-0.771188 4.784389 -0.673960\n-0.018747 -0.021910 4.892699\nK As F\n1 1 6\ndirect\n0.499999 0.500000 0.500000 K\n0.000000 0.000000 0.000000 As\n0.742727 0.079102 0.742728 F\n0.079101 0.742728 0.742728 F\n0.257271 0.257272 0.920898 F\n0.920897 0.257272 0.257272 F\n0.257271 0.920898 0.257272 F\n0.742727 0.742728 0.079102 F\n",
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{
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"structure_string": "K1 Rh1 F6\n1.0\n3.679254 2.124218 2.406898\n-3.679254 2.124218 2.406898\n-0.000000 -4.248437 2.406898\nK Rh F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Rh\n0.075243 0.673646 0.786269 F\n0.673647 0.786269 0.075242 F\n0.786269 0.075243 0.673646 F\n0.924758 0.326355 0.213731 F\n0.326354 0.213732 0.924759 F\n0.213732 0.924758 0.326354 F\n",
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{
"id": "jvasp-94759",
"created_at": "2022-09-04T14:36:06.083094Z",
"updated_at": "2022-09-04T14:36:06.083116Z",
"structure_string": "Sr1 Mg6 Al1\n1.0\n6.520767 0.813220 0.000000\n-2.556114 6.053757 0.000000\n0.000000 0.000000 4.904290\nSr Mg Al\n1 6 1\ndirect\n0.384576 0.115425 0.750000 Sr\n0.101375 0.799831 0.250000 Mg\n0.700170 0.398626 0.250000 Mg\n0.626062 0.873939 0.250000 Mg\n0.295069 0.593376 0.750000 Mg\n0.906624 0.204931 0.750000 Mg\n0.809284 0.690717 0.750000 Mg\n0.176843 0.323157 0.250000 Al\n",
"nsites": 8,
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"elements": [
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],
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"density": 2.1220497293853313,
"density_atomic": 0.03925571301599527,
"volume": 203.7919931995705,
"volume_molar": 15.340800860109704,
"formula_full": "Sr1 Mg6 Al1",
"formula_reduced": "SrMg6Al",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-93167",
"created_at": "2022-09-04T14:36:01.822557Z",
"updated_at": "2022-09-04T14:36:01.822590Z",
"structure_string": "Li1 Mg6 Nb1\n1.0\n6.241397 -0.000144 0.000000\n-3.120823 5.405136 0.000000\n0.000000 0.000000 4.945842\nLi Mg Nb\n1 6 1\ndirect\n0.083232 0.416769 0.250000 Li\n0.098176 0.924121 0.250000 Mg\n0.575881 0.401826 0.250000 Mg\n0.575957 0.924046 0.250000 Mg\n0.415756 0.582840 0.750000 Mg\n0.917162 0.084245 0.750000 Mg\n0.917127 0.582876 0.750000 Mg\n0.416717 0.083284 0.750000 Nb\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Li-Mg-Nb",
"density": 2.445070482903488,
"density_atomic": 0.0479476250398127,
"volume": 166.84872281697585,
"volume_molar": 12.559831180375655,
"formula_full": "Li1 Mg6 Nb1",
"formula_reduced": "LiMg6Nb",
"formula_anonymous": "ABC6",
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"spacegroup": 187
},
{
"id": "jvasp-90634",
"created_at": "2022-09-04T14:36:05.569039Z",
"updated_at": "2022-09-04T14:36:05.569064Z",
"structure_string": "Ce1 Mg6 Fe1\n1.0\n6.801630 0.698885 0.000000\n-2.795562 4.842055 0.000000\n0.000000 0.000000 4.959792\nCe Mg Fe\n1 6 1\ndirect\n0.125528 0.812764 0.250000 Ce\n0.625177 0.313934 0.250000 Mg\n0.625177 0.811243 0.250000 Mg\n0.347009 0.178800 0.750000 Mg\n0.347009 0.668211 0.750000 Mg\n0.931025 0.215513 0.750000 Mg\n0.802378 0.651189 0.750000 Mg\n0.196697 0.348348 0.250000 Fe\n",
"nsites": 8,
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"elements": [
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"Mg",
"Fe"
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"density": 3.2800059240950388,
"density_atomic": 0.046233300175511444,
"volume": 173.03545214445643,
"volume_molar": 13.025548116052006,
"formula_full": "Ce1 Mg6 Fe1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-93100",
"created_at": "2022-09-04T14:36:06.724991Z",
"updated_at": "2022-09-04T14:36:06.725023Z",
"structure_string": "Mg6 Nb1 Si1\n1.0\n6.149716 0.220070 0.000000\n-2.884272 4.995705 0.000000\n0.000000 0.000000 5.049085\nMg Nb Si\n6 1 1\ndirect\n0.652856 0.327058 0.250000 Mg\n0.652856 0.825796 0.250000 Mg\n0.339991 0.163111 0.749999 Mg\n0.339991 0.676880 0.749999 Mg\n0.857811 0.178906 0.749999 Mg\n0.848196 0.674097 0.749999 Mg\n0.148303 0.824150 0.250000 Nb\n0.159996 0.329997 0.250000 Si\n",
"nsites": 8,
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"elements": [
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"density": 2.798495505203295,
"density_atomic": 0.05052939093116522,
"volume": 158.3236974080724,
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"formula_full": "Mg6 Nb1 Si1",
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{
"id": "jvasp-94208",
"created_at": "2022-09-04T14:36:06.034443Z",
"updated_at": "2022-09-04T14:36:06.034479Z",
"structure_string": "Mg6 Fe1 Sb1\n1.0\n6.184117 -0.059293 0.000000\n-3.143408 5.444540 0.000000\n0.000000 0.000000 4.960162\nMg Fe Sb\n6 1 1\ndirect\n0.670407 0.331955 0.250000 Mg\n0.670407 0.838450 0.250000 Mg\n0.327385 0.180523 0.750000 Mg\n0.327385 0.646862 0.750000 Mg\n0.845028 0.172514 0.750000 Mg\n0.823089 0.661546 0.750000 Mg\n0.170813 0.335406 0.250000 Fe\n0.165491 0.832745 0.250000 Sb\n",
"nsites": 8,
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"elements": [
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"Fe",
"Sb"
],
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"density": 3.233792304692558,
"density_atomic": 0.048168818969359074,
"volume": 166.08254408498001,
"volume_molar": 12.50215572823319,
"formula_full": "Mg6 Fe1 Sb1",
"formula_reduced": "Mg6FeSb",
"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-92204",
"created_at": "2022-09-04T14:36:03.484053Z",
"updated_at": "2022-09-04T14:36:03.484085Z",
"structure_string": "Rb1 Mg6 Mo1\n1.0\n6.460775 0.002567 0.000000\n-3.228165 5.596478 0.000000\n0.000000 0.000000 5.127797\nRb Mg Mo\n1 6 1\ndirect\n0.083330 0.416671 0.250000 Rb\n0.117806 0.933871 0.250000 Mg\n0.566129 0.382195 0.250000 Mg\n0.566325 0.933676 0.250000 Mg\n0.435440 0.592926 0.750000 Mg\n0.907074 0.064561 0.750000 Mg\n0.907157 0.592844 0.750000 Mg\n0.416740 0.083260 0.750000 Mo\n",
"nsites": 8,
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"elements": [
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"density": 2.930102403656165,
"density_atomic": 0.0431380216396264,
"volume": 185.45124917484011,
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"formula_full": "Rb1 Mg6 Mo1",
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"formula_anonymous": "ABC6",
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"spacegroup": 187
},
{
"id": "jvasp-93148",
"created_at": "2022-09-04T14:36:07.810045Z",
"updated_at": "2022-09-04T14:36:07.810071Z",
"structure_string": "Na1 Ce1 Mg6\n1.0\n6.510828 -0.837798 0.000000\n-3.980967 6.895234 0.000000\n0.000000 0.000000 5.057559\nNa Ce Mg\n1 1 6\ndirect\n0.133631 0.816815 0.250000 Na\n0.273382 0.386691 0.250000 Ce\n0.704994 0.303774 0.250000 Mg\n0.704993 0.901219 0.250000 Mg\n0.301407 0.119376 0.750000 Mg\n0.301406 0.682031 0.750000 Mg\n0.855717 0.177859 0.750000 Mg\n0.724469 0.612234 0.750000 Mg\n",
"nsites": 8,
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"formula_anonymous": "ABC6",
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},
{
"id": "jvasp-92859",
"created_at": "2022-09-04T14:35:58.990914Z",
"updated_at": "2022-09-04T14:35:58.990943Z",
"structure_string": "Mg6 Nb1 Sb1\n1.0\n6.196478 0.081021 0.000000\n-3.028073 5.406817 0.000000\n0.000000 0.000000 5.050616\nMg Nb Sb\n6 1 1\ndirect\n0.162174 0.822804 0.250000 Mg\n0.677197 0.337826 0.250000 Mg\n0.665018 0.834983 0.250000 Mg\n0.329828 0.660145 0.750001 Mg\n0.839856 0.170173 0.750001 Mg\n0.833135 0.666865 0.750001 Mg\n0.167941 0.332059 0.250000 Nb\n0.324858 0.175143 0.750001 Sb\n",
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"elements": [
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],
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"formula_full": "Mg6 Nb1 Sb1",
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},
{
"id": "jvasp-94104",
"created_at": "2022-09-04T14:36:08.115372Z",
"updated_at": "2022-09-04T14:36:08.115400Z",
"structure_string": "Mg6 Ni1 Mo1\n1.0\n6.083056 0.138986 0.000000\n-2.921163 5.059602 0.000000\n0.000000 0.000000 4.725323\nMg Ni Mo\n6 1 1\ndirect\n0.650026 0.325968 0.250000 Mg\n0.650026 0.824057 0.250000 Mg\n0.329022 0.159746 0.750000 Mg\n0.329022 0.669277 0.750000 Mg\n0.874829 0.187415 0.750000 Mg\n0.853153 0.676577 0.750000 Mg\n0.167463 0.333731 0.250000 Ni\n0.146465 0.823231 0.250000 Mo\n",
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"formula_full": "Mg6 Ni1 Mo1",
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{
"id": "jvasp-93200",
"created_at": "2022-09-04T14:36:03.716094Z",
"updated_at": "2022-09-04T14:36:03.716105Z",
"structure_string": "Sr1 Li1 Mg6\n1.0\n7.202574 0.493734 0.000000\n-3.173701 5.497011 0.000000\n0.000000 0.000000 5.132612\nSr Li Mg\n1 1 6\ndirect\n0.108271 0.804134 0.250000 Sr\n0.237133 0.368566 0.250000 Li\n0.632833 0.308193 0.250000 Mg\n0.632833 0.824637 0.250000 Mg\n0.357363 0.179521 0.750000 Mg\n0.357363 0.677843 0.750000 Mg\n0.903322 0.201661 0.750000 Mg\n0.770880 0.635441 0.750000 Mg\n",
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}
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}