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"id": "jvasp-64421",
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"structure_string": "Ba4 Mg1 Nb1\n1.0\n-0.000000 5.042217 5.042217\n5.042217 0.000000 5.042217\n5.042217 5.042217 -0.000000\nBa Mg Nb\n4 1 1\ndirect\n0.123599 0.625468 0.625468 Ba\n0.625468 0.625468 0.625468 Ba\n0.625468 0.123599 0.625468 Ba\n0.625468 0.625468 0.123599 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Nb\n",
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{
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"structure_string": "Ba1 Mg6 Nb1\n1.0\n6.590378 0.000765 0.000000\n-3.294527 5.707816 0.000000\n0.000000 0.000000 5.191953\nBa Mg Nb\n1 6 1\ndirect\n0.083332 0.416669 0.250000 Ba\n0.112584 0.931290 0.250000 Mg\n0.568711 0.387416 0.250000 Mg\n0.568824 0.931176 0.250000 Mg\n0.436010 0.593071 0.750000 Mg\n0.906929 0.063989 0.750000 Mg\n0.906926 0.593074 0.750000 Mg\n0.416685 0.083315 0.750000 Nb\n",
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{
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"created_at": "2022-09-04T14:37:16.660188Z",
"updated_at": "2022-09-04T14:37:16.660200Z",
"structure_string": "Ba3 Mg1 Nb2 O9\n1.0\n2.921376 -5.059971 0.000000\n2.921376 5.059971 -0.000000\n0.000000 -0.000000 7.170139\nBa Mg Nb O\n3 1 2 9\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666668 0.333334 0.333070 Ba\n0.333334 0.666668 0.666930 Ba\n0.000000 0.000000 0.500000 Mg\n0.666668 0.333334 0.820702 Nb\n0.333334 0.666668 0.179298 Nb\n0.658885 0.829443 0.327134 O\n0.170559 0.341117 0.327134 O\n0.170559 0.829442 0.327134 O\n0.829442 0.170559 0.672866 O\n0.829443 0.658885 0.672866 O\n0.341117 0.170559 0.672866 O\n0.500000 0.000000 0.000000 O\n0.500001 0.500001 0.000000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 15,
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"volume": 211.97910564461617,
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"formula_full": "Ba3 Mg1 Nb2 O9",
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"formula_anonymous": "AB2C3D9",
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{
"id": "jvasp-117037",
"created_at": "2022-09-04T14:38:49.350578Z",
"updated_at": "2022-09-04T14:38:49.350605Z",
"structure_string": "Ba3 Mg1 Ta1 Nb1 O9\n1.0\n5.826537 0.000000 0.000000\n-2.913269 5.045928 0.000000\n-0.000000 -0.000000 7.154280\nBa Mg Ta Nb O\n3 1 1 1 9\ndirect\n0.333333 0.666667 0.000606 Ba\n0.666667 0.333333 0.664473 Ba\n0.000000 0.000000 0.333792 Ba\n0.333333 0.666667 0.497143 Mg\n0.666667 0.333333 0.177428 Ta\n0.000000 0.000000 0.821081 Nb\n0.990552 0.495275 0.326455 O\n0.504725 0.495275 0.326455 O\n0.504725 0.009448 0.326455 O\n0.674349 0.837174 0.673839 O\n0.162826 0.837174 0.673839 O\n0.162826 0.325651 0.673839 O\n0.832156 0.167845 0.001531 O\n0.832156 0.664310 0.001531 O\n0.335690 0.167845 0.001531 O\n",
"nsites": 15,
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],
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{
"id": "jvasp-94140",
"created_at": "2022-09-04T14:36:14.249000Z",
"updated_at": "2022-09-04T14:36:14.249012Z",
"structure_string": "Ba1 Mg6 Ni1\n1.0\n7.666889 0.973124 0.000000\n-2.990693 5.180032 0.000000\n0.000000 0.000000 4.928683\nBa Mg Ni\n1 6 1\ndirect\n0.089246 0.794623 0.250000 Ba\n0.612320 0.299984 0.250000 Mg\n0.612320 0.812333 0.250000 Mg\n0.347413 0.188197 0.750000 Mg\n0.347413 0.659216 0.750000 Mg\n0.918085 0.209042 0.750000 Mg\n0.746750 0.623374 0.750000 Mg\n0.326453 0.413226 0.250000 Ni\n",
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},
{
"id": "jvasp-65503",
"created_at": "2022-09-04T14:35:51.633262Z",
"updated_at": "2022-09-04T14:35:51.633287Z",
"structure_string": "Ba1 Mg1 Ni2\n1.0\n3.405618 0.000000 0.000000\n0.000000 3.423572 0.000000\n0.000000 0.000000 6.942442\nBa Mg Ni\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.825942 Ni\n0.000000 0.000000 0.174058 Ni\n",
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{
"id": "jvasp-65476",
"created_at": "2022-09-04T14:35:43.054740Z",
"updated_at": "2022-09-04T14:35:43.054759Z",
"structure_string": "Ba1 Mg1 Ni2\n1.0\n4.980412 0.000000 0.000000\n0.000000 4.980412 -0.000000\n0.000000 0.000000 3.340123\nBa Mg Ni\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.000000 Ni\n0.000000 0.500000 0.000000 Ni\n",
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{
"id": "jvasp-64120",
"created_at": "2022-09-04T14:36:09.908224Z",
"updated_at": "2022-09-04T14:36:09.908253Z",
"structure_string": "Ba4 Mg1 Ni1\n1.0\n0.000000 5.020225 5.020225\n5.020225 -0.000000 5.020225\n5.020225 5.020225 0.000000\nBa Mg Ni\n4 1 1\ndirect\n0.122457 0.625848 0.625848 Ba\n0.625848 0.625848 0.625848 Ba\n0.625848 0.122457 0.625848 Ba\n0.625848 0.625848 0.122457 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Ni\n",
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},
{
"id": "jvasp-50345",
"created_at": "2022-09-04T14:35:58.542361Z",
"updated_at": "2022-09-04T14:35:58.542385Z",
"structure_string": "Ba3 Mg3 O6\n1.0\n5.945290 -0.000009 0.000060\n-2.972653 5.148794 -0.000007\n-0.000077 0.000112 6.799903\nBa Mg O\n3 3 6\ndirect\n0.000001 0.654800 0.166667 Ba\n0.345208 0.345210 0.500002 Ba\n0.654799 0.000001 0.833346 Ba\n0.000006 0.575469 0.666670 Mg\n0.424531 0.424530 0.000004 Mg\n0.575468 0.000006 0.333342 Mg\n0.297080 0.868147 0.539500 O\n0.131844 0.428912 0.872828 O\n0.571072 0.702927 0.206157 O\n0.428914 0.131848 0.127186 O\n0.702923 0.571067 0.793849 O\n0.868153 0.297079 0.460510 O\n",
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{
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"created_at": "2022-09-04T14:36:33.179711Z",
"updated_at": "2022-09-04T14:36:33.179727Z",
"structure_string": "Ba4 Mg4 P8 O28\n1.0\n5.524589 0.000000 -0.134991\n0.000000 8.610378 0.000000\n-0.019593 0.000000 12.631414\nBa Mg P O\n4 4 8 28\ndirect\n0.739785 0.367786 0.793017 Ba\n0.239785 0.132214 0.293017 Ba\n0.760216 0.867786 0.706983 Ba\n0.260216 0.632214 0.206983 Ba\n0.208568 0.660250 0.876430 Mg\n0.791433 0.339750 0.123570 Mg\n0.708568 0.839750 0.376430 Mg\n0.291433 0.160250 0.623570 Mg\n0.714010 0.685384 0.015414 P\n0.265549 0.556962 0.664332 P\n0.285991 0.314616 0.984586 P\n0.765548 0.943039 0.164332 P\n0.734452 0.443039 0.335667 P\n0.234452 0.056961 0.835667 P\n0.214010 0.814616 0.515414 P\n0.785991 0.185384 0.484586 P\n0.556017 0.368375 0.253828 O\n0.705741 0.079965 0.392430 O\n0.794260 0.579965 0.107570 O\n0.294260 0.920035 0.607570 O\n0.205741 0.420035 0.892430 O\n0.943984 0.868376 0.246172 O\n0.509619 0.908969 0.201520 O\n0.800100 0.860184 0.050539 O\n0.990382 0.408969 0.298480 O\n0.490382 0.091031 0.798480 O\n0.009619 0.591031 0.701519 O\n0.061851 0.185256 0.498582 O\n0.438150 0.685256 0.001417 O\n0.938150 0.814744 0.501417 O\n0.561851 0.314744 0.998582 O\n0.828332 0.112413 0.149535 O\n0.443984 0.631625 0.746172 O\n0.671669 0.612413 0.350465 O\n0.328332 0.387587 0.649535 O\n0.654043 0.155730 0.587165 O\n0.845958 0.655731 0.912835 O\n0.345958 0.844270 0.412835 O\n0.154042 0.344270 0.087165 O\n0.300100 0.639817 0.550539 O\n0.199901 0.139817 0.949461 O\n0.699901 0.360184 0.449461 O\n0.171669 0.887587 0.850464 O\n0.056017 0.131625 0.753828 O\n",
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{
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"created_at": "2022-09-04T14:37:35.637114Z",
"updated_at": "2022-09-04T14:37:35.637133Z",
"structure_string": "Ba2 Mg1 Re1 O6\n1.0\n4.989968 0.000000 2.880959\n1.663323 4.704587 2.880959\n0.000000 0.000000 5.761919\nBa Mg Re O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Re\n0.260281 0.739719 0.739719 O\n0.260281 0.739719 0.260282 O\n0.739719 0.260282 0.739719 O\n0.260281 0.260282 0.739719 O\n0.739719 0.260282 0.260281 O\n0.739718 0.739719 0.260282 O\n",
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{
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"created_at": "2022-09-04T14:38:30.412832Z",
"updated_at": "2022-09-04T14:38:30.412868Z",
"structure_string": "Ba6 Mg2 Ru4 O18\n1.0\n2.906403 -5.034038 -0.000000\n2.906403 5.034038 0.000000\n-0.000000 0.000000 14.042905\nBa Mg Ru O\n6 2 4 18\ndirect\n0.333332 0.666666 0.589061 Ba\n0.666666 0.333332 0.089061 Ba\n0.666666 0.333332 0.410938 Ba\n0.333332 0.666666 0.910938 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.333332 0.666666 0.339624 Ru\n0.666666 0.333332 0.839623 Ru\n0.333332 0.666666 0.160376 Ru\n0.666666 0.333332 0.660376 Ru\n0.508097 0.491902 0.750000 O\n0.491902 0.508097 0.250000 O\n0.016196 0.508097 0.250000 O\n0.508097 0.016196 0.750000 O\n0.827207 0.654414 0.915058 O\n0.654414 0.827207 0.415058 O\n0.172791 0.827207 0.415058 O\n0.827207 0.172791 0.915058 O\n0.827207 0.654414 0.584941 O\n0.654414 0.827207 0.084941 O\n0.172791 0.827207 0.084941 O\n0.172792 0.345585 0.415058 O\n0.172792 0.345585 0.084941 O\n0.983803 0.491901 0.750000 O\n0.345585 0.172792 0.584941 O\n0.827207 0.172791 0.584941 O\n0.345585 0.172792 0.915058 O\n0.491901 0.983803 0.250000 O\n",
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}
]
}