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"results": [
{
"id": "jvasp-116259",
"created_at": "2022-09-04T14:38:42.159123Z",
"updated_at": "2022-09-04T14:38:42.159156Z",
"structure_string": "Mg1 Al1 O2\n1.0\n2.511122 -1.589823 0.438248\n2.511122 1.589823 0.438248\n-0.869844 0.000000 5.306917\nMg Al O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Al\n0.153986 0.153986 0.705981 O\n0.846013 0.846013 0.294020 O\n",
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{
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"structure_string": "Mg1 Al1 O3\n1.0\n2.645249 -2.667361 0.096325\n2.645249 2.667361 0.096325\n-0.593291 0.000000 3.705832\nMg Al O\n1 1 3\ndirect\n0.490963 0.490963 0.674582 Mg\n0.027625 0.027625 0.951294 Al\n0.527376 0.018572 0.910105 O\n0.018572 0.527376 0.910105 O\n0.048823 0.048823 0.440558 O\n",
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{
"id": "jvasp-116257",
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"structure_string": "Mg1 Al1 O2\n1.0\n2.817555 0.000000 0.000000\n0.000000 2.817555 -0.000000\n0.000000 -0.000000 5.731287\nMg Al O\n1 1 2\ndirect\n0.499999 0.499999 0.481675 Mg\n0.000000 0.000000 0.063421 Al\n0.000000 0.000000 0.391646 O\n0.499999 0.499999 0.073260 O\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.08791500997688632,
"volume": 45.498487699104366,
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"spacegroup": 99
},
{
"id": "jvasp-111717",
"created_at": "2022-09-04T14:38:41.765708Z",
"updated_at": "2022-09-04T14:38:41.765735Z",
"structure_string": "Mg2 Al4 P4 O20\n1.0\n7.431637 0.000000 0.000000\n0.000000 6.212560 3.404976\n0.000000 0.013617 7.145584\nMg Al P O\n2 4 4 20\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.232826 0.226308 0.266485 Al\n0.732826 0.273692 0.733514 Al\n0.767175 0.773692 0.733514 Al\n0.267175 0.726308 0.266486 Al\n0.616568 0.991270 0.250267 P\n0.116568 0.508731 0.749733 P\n0.383432 0.008731 0.749732 P\n0.883433 0.491270 0.250267 P\n0.753863 0.583428 0.052301 O\n0.828013 0.008190 0.770036 O\n0.328012 0.491811 0.229964 O\n0.261965 0.081854 0.555216 O\n0.761965 0.418147 0.444783 O\n0.738036 0.918147 0.444783 O\n0.238036 0.581854 0.555217 O\n0.253863 0.916573 0.947699 O\n0.746138 0.083428 0.052301 O\n0.494772 0.194638 0.738222 O\n0.005228 0.694638 0.738222 O\n0.505229 0.805362 0.261778 O\n0.994772 0.305362 0.261778 O\n0.671988 0.508190 0.770036 O\n0.992341 0.319253 0.781260 O\n0.492341 0.180748 0.218739 O\n0.007660 0.680748 0.218739 O\n0.507660 0.819253 0.781261 O\n0.246138 0.416573 0.947699 O\n0.171988 0.991811 0.229964 O\n",
"nsites": 30,
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"volume_molar": 6.6155906633995185,
"formula_full": "Mg2 Al4 P4 O20",
"formula_reduced": "MgAl2(PO5)2",
"formula_anonymous": "AB2C2D10",
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"spacegroup": 14
},
{
"id": "jvasp-21390",
"created_at": "2022-09-04T14:37:30.880201Z",
"updated_at": "2022-09-04T14:37:30.880228Z",
"structure_string": "Mg4 Al4 P4 O20\n1.0\n0.000000 5.475246 0.002025\n10.410175 0.000000 0.000000\n0.000000 -1.061671 -7.084746\nMg Al P O\n4 4 4 20\ndirect\n0.884885 0.858221 0.984623 Mg\n0.615116 0.358221 0.015377 Mg\n0.115115 0.141779 0.015377 Mg\n0.384885 0.641779 0.984623 Mg\n0.441461 0.825668 0.639806 Al\n0.058540 0.325668 0.360194 Al\n0.558540 0.174332 0.360194 Al\n0.941461 0.674332 0.639806 Al\n0.934246 0.598544 0.218497 P\n0.565755 0.098544 0.781503 P\n0.434246 0.901455 0.218497 P\n0.065755 0.401456 0.781503 P\n0.609896 0.014393 0.285144 O\n0.118016 0.323384 0.609200 O\n0.381985 0.823384 0.390800 O\n0.245482 0.717793 0.731330 O\n0.254519 0.217793 0.268670 O\n0.754519 0.282207 0.268669 O\n0.745482 0.782207 0.731330 O\n0.890105 0.514393 0.714855 O\n0.109896 0.485606 0.285144 O\n0.810662 0.045552 0.889964 O\n0.561274 0.814971 0.085590 O\n0.938727 0.314971 0.914410 O\n0.438727 0.185029 0.914410 O\n0.061274 0.685028 0.085590 O\n0.618016 0.176616 0.609200 O\n0.689339 0.545551 0.110036 O\n0.189338 0.954448 0.110036 O\n0.310662 0.454448 0.889964 O\n0.390104 0.985606 0.714856 O\n0.881985 0.676615 0.390800 O\n",
"nsites": 32,
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],
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"density_atomic": 0.07924796105251866,
"volume": 403.7958778370737,
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"formula_full": "Mg4 Al4 P4 O20",
"formula_reduced": "MgAlPO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 14
},
{
"id": "jvasp-98581",
"created_at": "2022-09-04T14:36:16.355049Z",
"updated_at": "2022-09-04T14:36:16.355069Z",
"structure_string": "Mg4 Al8 Si10 O36\n1.0\n9.406750 0.000000 0.000000\n0.000000 8.504182 -4.832981\n0.000000 -0.003091 9.893092\nMg Al Si O\n4 8 10 36\ndirect\n0.250000 0.662456 0.324912 Mg\n0.250000 0.337544 0.675088 Mg\n0.750000 0.337544 0.675088 Mg\n0.750000 0.662456 0.324912 Mg\n0.749736 0.000000 0.500000 Al\n0.249736 0.500000 0.500000 Al\n0.250264 0.000000 0.500000 Al\n0.750264 0.500000 0.500000 Al\n0.500000 0.358998 0.102282 Al\n0.000000 0.743283 0.102282 Al\n0.000000 0.256717 0.897718 Al\n0.500000 0.641002 0.897718 Al\n0.500000 0.103198 0.729823 Si\n0.500000 0.270603 0.386031 Si\n0.000000 0.884571 0.613969 Si\n0.000000 0.115428 0.386031 Si\n0.750000 0.500000 -0.000000 Si\n0.250000 0.500000 -0.000000 Si\n0.000000 0.626624 0.729823 Si\n0.000000 0.373376 0.270177 Si\n0.500000 0.729397 0.613969 Si\n0.500000 0.896801 0.270177 Si\n0.141624 0.854519 0.504167 O\n0.858114 0.515036 0.653255 O\n0.141885 0.515036 0.653255 O\n0.650939 0.520596 0.874172 O\n0.650939 0.479404 0.125827 O\n0.849061 0.646423 0.125827 O\n0.849061 0.353576 0.874172 O\n0.349061 0.479404 0.125827 O\n0.150939 0.646423 0.125827 O\n0.858114 0.484964 0.346744 O\n0.358114 0.138219 0.653255 O\n0.358114 0.861781 0.346744 O\n0.500000 0.915169 0.669443 O\n0.500000 0.084831 0.330557 O\n0.000000 0.245726 0.330557 O\n0.000000 0.754274 0.669443 O\n0.500000 0.205675 0.913960 O\n0.500000 0.794325 0.086040 O\n0.000000 0.291715 0.086040 O\n0.000000 0.708285 0.913959 O\n0.500000 0.307531 0.245583 O\n0.500000 0.692469 0.754417 O\n0.000000 0.061948 0.754417 O\n0.000000 0.938051 0.245583 O\n0.641885 0.861781 0.346744 O\n0.641885 0.138219 0.653255 O\n0.141624 0.145481 0.495833 O\n0.141885 0.484964 0.346744 O\n0.358376 0.649648 0.504167 O\n0.358376 0.350352 0.495833 O\n0.858376 0.854519 0.504167 O\n0.858376 0.145481 0.495833 O\n0.641624 0.350352 0.495833 O\n0.641624 0.649648 0.504167 O\n0.150939 0.353576 0.874172 O\n0.349061 0.520596 0.874172 O\n",
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"elements": [
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"O"
],
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"density_atomic": 0.07329948420411758,
"volume": 791.27432654897,
"volume_molar": 8.215802369400174,
"formula_full": "Mg4 Al8 Si10 O36",
"formula_reduced": "Mg2Al4Si5O18",
"formula_anonymous": "A2B4C5D18",
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"spacegroup": 66
},
{
"id": "jvasp-41349",
"created_at": "2022-09-04T14:37:38.020457Z",
"updated_at": "2022-09-04T14:37:38.020488Z",
"structure_string": "Mg1 Al1 Pd2\n1.0\n0.000000 3.119009 3.119009\n3.119009 -0.000000 3.119009\n3.119009 3.119009 0.000000\nMg Al Pd\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Mg\n0.250000 0.250000 0.250000 Al\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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],
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"density_atomic": 0.06591437096606675,
"volume": 60.68479364020984,
"volume_molar": 9.13630923232241,
"formula_full": "Mg1 Al1 Pd2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-40939",
"created_at": "2022-09-04T14:37:33.376029Z",
"updated_at": "2022-09-04T14:37:33.376055Z",
"structure_string": "Pm2 Mg1 Al1\n1.0\n0.000000 3.753297 3.753297\n3.753297 -0.000000 3.753297\n3.753297 3.753297 -0.000000\nPm Mg Al\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Pm\n0.750001 0.750001 0.750001 Mg\n0.250001 0.250001 0.250001 Al\n",
"nsites": 4,
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],
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"density": 5.359193838245178,
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"formula_full": "Pm2 Mg1 Al1",
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"spacegroup": 225
},
{
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"created_at": "2022-09-04T14:37:00.361634Z",
"updated_at": "2022-09-04T14:37:00.361664Z",
"structure_string": "Pr3 Mg1 Al2\n1.0\n3.755616 0.000000 0.000000\n0.000000 3.755616 0.000000\n-0.000000 0.000000 11.690575\nPr Mg Al\n3 1 2\ndirect\n0.500000 0.500000 0.177245 Pr\n0.500000 0.500000 0.500000 Pr\n0.500000 0.500000 0.822754 Pr\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.333807 Al\n0.000000 0.000000 0.666193 Al\n",
"nsites": 6,
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],
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"density_atomic": 0.03638756688497829,
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"formula_full": "Pr3 Mg1 Al2",
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"spacegroup": 123
},
{
"id": "jvasp-99838",
"created_at": "2022-09-04T14:36:36.824426Z",
"updated_at": "2022-09-04T14:36:36.824446Z",
"structure_string": "Pr2 Mg1 Al1\n1.0\n4.671251 -0.000000 2.696949\n1.557084 4.404098 2.696949\n-0.000000 -0.000000 5.393896\nPr Mg Al\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pr\n0.749999 0.750000 0.750001 Pr\n0.000000 0.000000 0.000000 Mg\n0.499999 0.500000 0.500001 Al\n",
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"spacegroup": 225
},
{
"id": "jvasp-62103",
"created_at": "2022-09-04T14:36:12.895581Z",
"updated_at": "2022-09-04T14:36:12.895608Z",
"structure_string": "Mg12 Al4 Pt8\n1.0\n-0.000000 5.940769 5.940769\n5.940769 -0.000000 5.940769\n5.940769 5.940769 0.000000\nMg Al Pt\n12 4 8\ndirect\n0.947990 0.552010 0.947990 Mg\n0.552010 0.947990 0.947990 Mg\n0.947990 0.552010 0.552010 Mg\n0.947990 0.947990 0.552010 Mg\n0.802010 0.802010 0.197990 Mg\n0.197990 0.197990 0.802010 Mg\n0.802010 0.197990 0.802010 Mg\n0.197990 0.802010 0.197990 Mg\n0.802010 0.197990 0.197990 Mg\n0.197990 0.802010 0.802010 Mg\n0.552010 0.947990 0.552010 Mg\n0.552010 0.552010 0.947990 Mg\n0.875000 0.375000 0.375000 Al\n0.375000 0.875000 0.375000 Al\n0.375000 0.375000 0.875000 Al\n0.375000 0.375000 0.375000 Al\n0.527065 0.157645 0.157645 Pt\n0.157645 0.157645 0.157645 Pt\n0.157645 0.157645 0.527065 Pt\n0.157645 0.527065 0.157645 Pt\n0.592355 0.592355 0.592355 Pt\n0.222935 0.592355 0.592355 Pt\n0.592355 0.592355 0.222935 Pt\n0.592355 0.222935 0.592355 Pt\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Al-Mg-Pt",
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"volume": 419.3319876074156,
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"formula_full": "Mg12 Al4 Pt8",
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"spacegroup": 227
},
{
"id": "jvasp-116528",
"created_at": "2022-09-04T14:38:49.439815Z",
"updated_at": "2022-09-04T14:38:49.439844Z",
"structure_string": "Mg16 Al12 Pt1\n1.0\n8.487440 -0.011258 2.934718\n-4.064071 7.451181 2.934718\n0.026939 0.045311 9.007916\nMg Al Pt\n16 12 1\ndirect\n0.992892 0.992891 0.009174 Mg\n0.582253 0.334827 0.017198 Mg\n0.317418 0.999197 0.398605 Mg\n0.353163 0.004397 0.004183 Mg\n0.677848 0.298057 0.309565 Mg\n0.007117 0.603337 0.676909 Mg\n0.603337 0.007117 0.676909 Mg\n0.298057 0.677848 0.309565 Mg\n0.714353 0.408304 0.596206 Mg\n0.999197 0.317418 0.398605 Mg\n0.408305 0.714353 0.596206 Mg\n0.334828 0.582253 0.017198 Mg\n0.610359 0.610359 0.328514 Mg\n0.011099 0.011098 0.650445 Mg\n0.695067 0.695066 0.702376 Mg\n0.004397 0.353163 0.004183 Mg\n0.371146 0.184169 0.632734 Al\n0.002299 0.813153 0.361451 Al\n0.007996 0.633461 0.179058 Al\n0.201195 0.820652 0.811634 Al\n0.820652 0.201195 0.811634 Al\n0.651544 0.836241 0.978114 Al\n0.813153 0.002299 0.361451 Al\n0.184169 0.371146 0.632734 Al\n0.364070 0.364070 0.826752 Al\n0.183902 0.183901 0.191055 Al\n0.836241 0.651544 0.978114 Al\n0.633461 0.007996 0.179058 Al\n0.317565 0.317564 0.360648 Pt\n",
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"elements": [
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],
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"volume": 567.0025368291057,
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"formula_full": "Mg16 Al12 Pt1",
"formula_reduced": "Mg16Al12Pt",
"formula_anonymous": "AB12C16",
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"spacegroup": 8
}
]
}