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{
"id": "jvasp-3114",
"created_at": "2022-09-04T14:37:40.102679Z",
"updated_at": "2022-09-04T14:37:40.102703Z",
"structure_string": "Sr1 Mg2 N2\n1.0\n1.812359 -3.139099 0.000000\n1.812359 3.139099 0.000000\n0.000000 0.000000 6.370894\nSr Mg N\n1 2 2\ndirect\n0.000000 0.000000 0.500000 Sr\n0.333333 0.666667 0.868605 Mg\n0.666667 0.333333 0.131394 Mg\n0.333333 0.666667 0.219908 N\n0.666667 0.333333 0.780091 N\n",
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{
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"structure_string": "Mg1 Ta2 N3\n1.0\n3.966957 0.008311 -3.656624\n-0.380451 2.933561 -4.511895\n-0.007353 -0.008311 5.395145\nMg Ta N\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.667773 0.667772 0.000001 Ta\n0.332228 0.332227 0.000001 Ta\n0.500001 0.000000 0.500001 N\n0.159970 0.659969 0.500002 N\n0.840032 0.340031 0.500002 N\n",
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{
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"structure_string": "Mg4 Ta8 N12\n1.0\n2.619980 -4.537938 -0.000000\n2.619980 4.537938 0.000000\n-0.000000 -0.000000 10.502496\nMg Ta N\n4 8 12\ndirect\n0.666667 0.333333 0.500000 Mg\n0.666667 0.333333 0.000000 Mg\n0.333333 0.666667 0.000000 Mg\n0.333333 0.666667 0.500000 Mg\n0.335985 -0.000000 0.250000 Ta\n-0.000000 0.335985 0.250000 Ta\n0.000000 0.000000 0.500000 Ta\n0.335985 0.335985 0.750000 Ta\n-0.000000 0.664016 0.750000 Ta\n0.664016 -0.000000 0.750000 Ta\n0.664016 0.664016 0.250000 Ta\n0.000000 0.000000 0.000000 Ta\n0.670120 0.670120 0.619886 N\n-0.000000 0.329881 0.880115 N\n-0.000000 0.329881 0.619886 N\n-0.000000 0.670120 0.380115 N\n-0.000000 0.670120 0.119886 N\n0.329881 -0.000000 0.619886 N\n0.329881 -0.000000 0.880115 N\n0.329881 0.329881 0.119886 N\n0.329881 0.329881 0.380115 N\n0.670120 -0.000000 0.380115 N\n0.670120 -0.000000 0.119886 N\n0.670120 0.670120 0.880115 N\n",
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"volume": 249.73479424559176,
"volume_molar": 6.266408681735799,
"formula_full": "Mg4 Ta8 N12",
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"formula_anonymous": "AB2C3",
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"spacegroup": 193
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{
"id": "jvasp-8308",
"created_at": "2022-09-04T14:36:51.079970Z",
"updated_at": "2022-09-04T14:36:51.079991Z",
"structure_string": "Mg1 Ti2 N2\n1.0\n3.124842 0.000000 0.000000\n0.000000 3.124842 0.000000\n0.000000 0.000000 7.745777\nMg Ti N\n1 2 2\ndirect\n0.000000 0.000000 0.500000 Mg\n0.500000 0.500000 0.185483 Ti\n0.500000 0.500000 0.814518 Ti\n0.000000 0.500000 0.674739 N\n0.500000 0.000000 0.325262 N\n",
"nsites": 5,
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"density_atomic": 0.06610721911652792,
"volume": 75.6347047542031,
"volume_molar": 9.109656767417045,
"formula_full": "Mg1 Ti2 N2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 115
},
{
"id": "jvasp-110301",
"created_at": "2022-09-04T14:37:57.581858Z",
"updated_at": "2022-09-04T14:37:57.581873Z",
"structure_string": "Mg1 Ti1 N2\n1.0\n2.893120 -0.000191 4.426386\n1.318115 2.575406 4.426386\n-0.000313 -0.000191 5.288009\nMg Ti N\n1 1 2\ndirect\n-0.000001 0.666668 0.333334 Mg\n0.500000 0.166668 0.833333 Ti\n0.756446 0.423114 0.089781 N\n0.243551 0.910222 0.576888 N\n",
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{
"id": "jvasp-112728",
"created_at": "2022-09-04T14:38:43.629352Z",
"updated_at": "2022-09-04T14:38:43.629383Z",
"structure_string": "Mg8 V2 N8\n1.0\n5.322021 0.003018 0.706549\n1.659894 4.774606 1.821865\n0.002257 0.001638 8.247278\nMg V N\n8 2 8\ndirect\n0.727909 0.626593 0.203953 Mg\n0.272090 0.373409 0.796048 Mg\n0.754419 0.245851 0.998110 Mg\n0.245580 0.754151 0.001890 Mg\n0.743926 0.468414 0.580525 Mg\n0.256073 0.531588 0.419476 Mg\n0.252931 0.944353 0.593174 Mg\n0.747068 0.055649 0.406827 Mg\n0.271521 0.156786 0.233789 V\n0.728478 0.843216 0.766211 V\n0.992226 0.697083 0.617761 N\n0.007773 0.302919 0.382239 N\n0.834506 0.851319 0.963271 N\n0.165494 0.148683 0.036730 N\n0.513110 0.612669 0.803859 N\n0.486889 0.387333 0.196141 N\n0.490879 0.816727 0.379813 N\n0.509120 0.183275 0.620188 N\n",
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"formula_full": "Mg8 V2 N8",
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"formula_anonymous": "AB4C4",
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{
"id": "jvasp-8277",
"created_at": "2022-09-04T14:36:35.253129Z",
"updated_at": "2022-09-04T14:36:35.253149Z",
"structure_string": "Mg1 V2 N2\n1.0\n2.991924 -0.021392 -0.322838\n-0.017405 2.991643 -0.325376\n-0.726429 -0.719442 7.218209\nMg V N\n1 2 2\ndirect\n0.000254 -0.000206 0.750004 Mg\n0.674768 0.674736 0.101499 V\n0.325270 0.325163 0.398500 V\n0.901285 0.401597 0.552105 N\n0.598415 0.098712 0.947891 N\n",
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"formula_full": "Mg1 V2 N2",
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"spacegroup": 119
},
{
"id": "jvasp-8343",
"created_at": "2022-09-04T14:37:02.444302Z",
"updated_at": "2022-09-04T14:37:02.444325Z",
"structure_string": "Mg1 W2 N2\n1.0\n3.280766 0.000000 0.000000\n0.000000 3.280733 0.000000\n0.000000 0.000000 7.151575\nMg W N\n1 2 2\ndirect\n0.000000 0.000000 0.250010 Mg\n0.500001 0.500000 0.928672 W\n0.500001 0.500000 0.571322 W\n0.500001 0.000000 0.431632 N\n0.000000 0.500000 0.068362 N\n",
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"density": 9.06043174951373,
"density_atomic": 0.0649564324064099,
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"volume_molar": 9.27104604871393,
"formula_full": "Mg1 W2 N2",
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"spacegroup": 115
},
{
"id": "jvasp-112733",
"created_at": "2022-09-04T14:38:42.634058Z",
"updated_at": "2022-09-04T14:38:42.634074Z",
"structure_string": "Mg2 Zn10 N8\n1.0\n7.364556 -0.000000 0.000000\n0.000000 6.624254 0.000000\n-0.000000 -0.000000 4.952826\nMg Zn N\n2 10 8\ndirect\n0.750000 0.250000 0.723710 Mg\n0.250000 0.750000 0.276290 Mg\n0.250000 0.250000 0.264186 Zn\n0.750000 0.750000 0.735815 Zn\n0.432440 0.000417 0.748397 Zn\n0.067561 0.499582 0.748397 Zn\n0.067561 0.000417 0.748397 Zn\n0.932440 -0.000417 0.251603 Zn\n0.567561 -0.000417 0.251603 Zn\n0.932440 0.500417 0.251603 Zn\n0.567561 0.500417 0.251603 Zn\n0.432440 0.499582 0.748397 Zn\n0.501158 0.250000 0.501445 N\n0.750000 0.001658 0.961482 N\n0.750000 0.498342 0.961482 N\n0.250000 0.998341 0.038519 N\n0.250000 0.501658 0.038519 N\n0.498842 0.750000 0.498556 N\n0.001158 0.750000 0.498556 N\n0.998842 0.250000 0.501445 N\n",
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"formula_full": "Mg2 Zn10 N8",
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},
{
"id": "jvasp-100047",
"created_at": "2022-09-04T14:36:13.987190Z",
"updated_at": "2022-09-04T14:36:13.987215Z",
"structure_string": "Mg1 Zn2 N2\n1.0\n3.331206 0.000000 0.000004\n-1.665611 2.884913 0.000000\n-0.000000 -0.000000 5.826320\nMg Zn N\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666668 0.333333 0.345093 Zn\n0.333333 0.666666 0.654906 Zn\n0.666668 0.333333 0.770848 N\n0.333333 0.666666 0.229151 N\n",
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},
{
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"created_at": "2022-09-04T14:36:44.603183Z",
"updated_at": "2022-09-04T14:36:44.603201Z",
"structure_string": "Mg2 Zr2 N4\n1.0\n4.096753 0.000012 -1.788925\n-0.781162 4.021587 -1.788924\n-0.001846 -0.002239 5.581215\nMg Zr N\n2 2 4\ndirect\n0.374999 0.125000 0.750001 Mg\n0.625000 0.875000 0.250001 Mg\n0.125000 0.375000 0.250001 Zr\n0.874999 0.625000 0.750001 Zr\n0.883752 0.133754 0.767510 N\n0.116247 0.866246 0.232493 N\n0.366245 0.616247 0.732493 N\n0.633754 0.383753 0.267510 N\n",
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},
{
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"created_at": "2022-09-04T14:38:10.869424Z",
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"structure_string": "Mg6 O6\n1.0\n3.276951 -0.000066 0.000037\n-1.638533 2.837889 -0.000037\n-0.000166 0.000095 15.601688\nMg O\n6 6\ndirect\n0.333261 0.666739 0.352039 Mg\n0.333307 0.666694 0.020746 Mg\n0.999931 0.000067 0.186394 Mg\n0.999983 0.000013 0.518265 Mg\n0.000066 0.999932 0.852624 Mg\n0.666745 0.333250 0.686385 Mg\n0.333260 0.666740 0.148157 O\n0.333306 0.666692 0.479484 O\n0.999981 0.000013 0.981304 O\n0.999932 0.000065 0.313800 O\n0.000070 0.999927 0.646938 O\n0.666742 0.333253 0.813835 O\n",
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}
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}