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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=833",
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{
"id": "jvasp-38823",
"created_at": "2022-09-04T14:38:05.588491Z",
"updated_at": "2022-09-04T14:38:05.588508Z",
"structure_string": "Mg1 Nb1 Ru2\n1.0\n0.000000 3.137033 3.137033\n3.137033 -0.000000 3.137033\n3.137033 3.137033 0.000000\nMg Nb Ru\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Mg\n0.749999 0.749999 0.749999 Nb\n0.000000 0.000000 0.000000 Ru\n0.500001 0.500001 0.500001 Ru\n",
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{
"id": "jvasp-38864",
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"structure_string": "Mg1 Nb1 Rh2\n1.0\n-0.000000 3.151603 3.151603\n3.151603 -0.000000 3.151603\n3.151603 3.151603 -0.000000\nMg Nb Rh\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Mg\n0.749999 0.749999 0.749999 Nb\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n",
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{
"id": "jvasp-49588",
"created_at": "2022-09-04T14:37:19.631578Z",
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"structure_string": "Mg4 Ta2 Nb4 O16\n1.0\n5.216039 -0.003343 -0.004844\n-0.171398 5.966173 -0.004190\n-0.599259 -2.424944 9.664959\nMg Ta Nb O\n4 2 4 16\ndirect\n0.765528 0.418820 0.552342 Mg\n0.746926 0.861177 0.462062 Mg\n0.233399 0.583649 0.449207 Mg\n0.252216 0.141922 0.539795 Mg\n0.753107 0.655771 0.991153 Ta\n0.243062 0.348054 0.008843 Ta\n0.279759 0.991452 0.233400 Nb\n0.281120 0.755346 0.753598 Nb\n0.717883 0.248359 0.247642 Nb\n0.718352 0.010139 0.767986 Nb\n0.427092 0.298902 0.382353 O\n0.866553 0.546596 0.384408 O\n0.619836 0.157989 0.618386 O\n0.132217 0.456159 0.616596 O\n0.378844 0.844253 0.382598 O\n0.065123 0.922152 0.631649 O\n0.093762 0.673389 0.103202 O\n0.938194 0.799424 0.866161 O\n0.902573 0.330059 0.897852 O\n0.587279 0.451279 0.114536 O\n0.606094 0.912677 0.114092 O\n0.933087 0.080202 0.368799 O\n0.390691 0.091143 0.886987 O\n0.062274 0.203510 0.135353 O\n0.409200 0.550744 0.886430 O\n0.571948 0.703298 0.618680 O\n",
"nsites": 26,
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"elements": [
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"O"
],
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"density": 6.001325726174309,
"density_atomic": 0.08646674727796015,
"volume": 300.6936286896413,
"volume_molar": 6.9646898369392085,
"formula_full": "Mg4 Ta2 Nb4 O16",
"formula_reduced": "Mg2TaNb2O8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 3.1205057,
"spacegroup": 2
},
{
"id": "jvasp-19261",
"created_at": "2022-09-04T14:38:32.328472Z",
"updated_at": "2022-09-04T14:38:32.328493Z",
"structure_string": "Mg4 Nb4 Sn2 O16\n1.0\n-5.289951 -0.000075 0.000193\n-0.000095 -6.054875 0.000027\n0.188699 3.026279 10.407649\nMg Nb Sn O\n4 4 2 16\ndirect\n0.754601 0.408464 0.538077 Mg\n0.743949 0.871332 0.463728 Mg\n0.243942 0.594213 0.463738 Mg\n0.254589 0.131350 0.538083 Mg\n0.726282 0.304013 0.254260 Nb\n0.772311 0.050510 0.747536 Nb\n0.272300 0.698658 0.747553 Nb\n0.226276 0.952182 0.254275 Nb\n0.249331 0.298294 0.000776 Sn\n0.749272 0.704415 0.001018 Sn\n0.882980 0.553125 0.392995 O\n0.615561 0.160969 0.608812 O\n0.115564 0.449561 0.608823 O\n0.382983 0.841701 0.392998 O\n0.051266 0.919701 0.615424 O\n0.447280 0.305260 0.386357 O\n0.106939 0.683605 0.139695 O\n0.968375 0.838862 0.837284 O\n0.891647 0.319113 0.862086 O\n0.607005 0.458053 0.139662 O\n0.530327 0.002540 0.164558 O\n0.947299 0.082976 0.386391 O\n0.468313 0.000104 0.837278 O\n0.030259 0.163875 0.164553 O\n0.391583 0.544571 0.862126 O\n0.551274 0.697417 0.615454 O\n",
"nsites": 26,
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],
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"density_atomic": 0.07799432962513393,
"volume": 333.3575674663074,
"volume_molar": 7.72125459497423,
"formula_full": "Mg4 Nb4 Sn2 O16",
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{
"id": "jvasp-103278",
"created_at": "2022-09-04T14:36:40.394713Z",
"updated_at": "2022-09-04T14:36:40.394733Z",
"structure_string": "Mg1 Nb1 Os2\n1.0\n3.866381 0.000000 2.232256\n1.288794 3.645259 2.232256\n-0.000000 -0.000000 4.464512\nMg Nb Os\n1 1 2\ndirect\n0.499999 0.500000 0.500001 Mg\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250001 Os\n0.749999 0.750000 0.750002 Os\n",
"nsites": 4,
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"elements": [
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"density": 13.133628576579058,
"density_atomic": 0.06357010925968877,
"volume": 62.922654162189545,
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"formula_full": "Mg1 Nb1 Os2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-26825",
"created_at": "2022-09-04T14:38:28.444432Z",
"updated_at": "2022-09-04T14:38:28.444444Z",
"structure_string": "Mg3 Nb6 O11\n1.0\n3.054215 -5.290055 0.000000\n3.054215 5.290055 -0.000000\n0.000000 0.000000 7.541699\nMg Nb O\n3 6 11\ndirect\n0.000000 0.000000 0.500000 Mg\n0.333332 0.666666 0.423506 Mg\n0.666666 0.333332 0.576494 Mg\n0.154676 0.309354 0.846551 Nb\n0.154676 0.845322 0.846551 Nb\n0.690645 0.845322 0.846551 Nb\n0.309354 0.154676 0.153450 Nb\n0.845322 0.154676 0.153450 Nb\n0.845322 0.690645 0.153450 Nb\n0.843710 0.687422 0.671915 O\n0.843710 0.156289 0.671915 O\n0.312577 0.156289 0.671915 O\n0.687422 0.843710 0.328085 O\n0.499999 -0.000000 0.000000 O\n0.156289 0.312577 0.328085 O\n-0.000000 0.499999 0.000000 O\n0.499999 0.499999 0.000000 O\n0.333332 0.666666 0.685966 O\n0.156289 0.843710 0.328085 O\n0.666666 0.333332 0.314034 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Mg-Nb-O",
"density": 5.494294264577498,
"density_atomic": 0.08206746371072225,
"volume": 243.70193857211854,
"volume_molar": 7.338036887830856,
"formula_full": "Mg3 Nb6 O11",
"formula_reduced": "Mg3Nb6O11",
"formula_anonymous": "A3B6C11",
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"spacegroup": 164
},
{
"id": "jvasp-22990",
"created_at": "2022-09-04T14:37:33.819075Z",
"updated_at": "2022-09-04T14:37:33.819102Z",
"structure_string": "Mg8 Nb4 O18\n1.0\n2.603262 -4.508982 -0.000000\n2.603262 4.508982 -0.000000\n-0.000000 -0.000000 14.139202\nMg Nb O\n8 4 18\ndirect\n0.333333 0.666667 0.516459 Mg\n0.666667 0.333333 0.983541 Mg\n0.666667 0.333333 0.483541 Mg\n0.333333 0.666667 0.016459 Mg\n0.333333 0.666667 0.308167 Mg\n0.666667 0.333333 0.191833 Mg\n0.666667 0.333333 0.691832 Mg\n0.333333 0.666667 0.808167 Mg\n0.000000 0.000000 0.858323 Nb\n0.000000 0.000000 0.641677 Nb\n0.000000 0.000000 0.141677 Nb\n0.000000 0.000000 0.358323 Nb\n0.708533 0.708533 0.750000 O\n-0.000000 0.708533 0.250000 O\n0.708533 -0.000000 0.250000 O\n0.291466 0.291466 0.250000 O\n0.320984 0.971476 0.415849 O\n0.028523 0.349509 0.415849 O\n0.650490 0.679015 0.415849 O\n0.971476 0.320984 0.084151 O\n0.028523 0.679015 0.915849 O\n0.679015 0.650490 0.084151 O\n0.679015 0.028523 0.584151 O\n0.971476 0.650490 0.584151 O\n0.349509 0.320985 0.584151 O\n0.291466 -0.000000 0.750000 O\n0.650490 0.971476 0.915849 O\n0.320985 0.349509 0.915849 O\n0.349509 0.028523 0.084151 O\n-0.000000 0.291466 0.750000 O\n",
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"volume": 331.9336452535986,
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"formula_full": "Mg8 Nb4 O18",
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"spacegroup": 165
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{
"id": "jvasp-94130",
"created_at": "2022-09-04T14:36:19.567736Z",
"updated_at": "2022-09-04T14:36:19.567761Z",
"structure_string": "Mg6 Nb1 Ni1\n1.0\n6.242823 0.248644 0.000000\n-2.906079 5.033478 0.000000\n0.000000 0.000000 4.763562\nMg Nb Ni\n6 1 1\ndirect\n0.640908 0.321823 0.250000 Mg\n0.640908 0.819083 0.250000 Mg\n0.333071 0.164547 0.750000 Mg\n0.333071 0.668526 0.750000 Mg\n0.887517 0.193759 0.750000 Mg\n0.843473 0.671737 0.750000 Mg\n0.139835 0.819918 0.250000 Nb\n0.181213 0.340606 0.250000 Ni\n",
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"formula_full": "Mg6 Nb1 Ni1",
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"spacegroup": 38
},
{
"id": "jvasp-94101",
"created_at": "2022-09-04T14:36:02.454130Z",
"updated_at": "2022-09-04T14:36:02.454146Z",
"structure_string": "Mg6 Nb1 Ni1\n1.0\n6.243670 -0.189655 0.000000\n-3.286081 5.312348 0.000000\n0.000000 0.000000 4.757366\nMg Nb Ni\n6 1 1\ndirect\n0.178373 0.842903 0.250000 Mg\n0.657097 0.321626 0.250000 Mg\n0.675977 0.824023 0.250000 Mg\n0.320293 0.669072 0.750001 Mg\n0.830928 0.179706 0.750001 Mg\n0.831300 0.668699 0.750001 Mg\n0.308163 0.191837 0.750001 Nb\n0.197870 0.302130 0.250000 Ni\n",
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"formula_full": "Mg6 Nb1 Ni1",
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"spacegroup": 38
},
{
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"created_at": "2022-09-04T14:35:46.086517Z",
"updated_at": "2022-09-04T14:35:46.086542Z",
"structure_string": "Mg7 Nb1\n1.0\n6.304156 -0.000000 -0.000000\n-3.152077 5.459559 0.000000\n-0.000000 0.000000 4.960253\nMg Nb\n7 1\ndirect\n0.169785 0.834892 0.250000 Mg\n0.665108 0.330215 0.250000 Mg\n0.665108 0.834892 0.250000 Mg\n0.325403 0.174597 0.750000 Mg\n0.325403 0.650807 0.750000 Mg\n0.849194 0.174597 0.750000 Mg\n0.833333 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 Nb\n",
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},
{
"id": "jvasp-105819",
"created_at": "2022-09-04T14:35:47.061727Z",
"updated_at": "2022-09-04T14:35:47.061752Z",
"structure_string": "Mg1 Nb3\n1.0\n3.965218 -0.287338 -2.543236\n-1.336199 3.744341 -2.543236\n0.218518 0.287338 4.705662\nMg Nb\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000001 Nb\n0.750001 0.250000 0.499999 Nb\n0.250000 0.750000 0.499999 Nb\n",
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"spacegroup": 225
},
{
"id": "jvasp-79163",
"created_at": "2022-09-04T14:37:57.001182Z",
"updated_at": "2022-09-04T14:37:57.001196Z",
"structure_string": "Mg3 Nb1\n1.0\n6.306030 0.328464 -0.000000\n-1.434277 2.484242 0.000000\n-0.000000 0.000000 5.050789\nMg Nb\n3 1\ndirect\n0.649772 0.649771 0.250000 Mg\n0.331448 0.331448 0.750000 Mg\n0.866631 0.366630 0.750000 Mg\n0.152147 0.652146 0.250000 Nb\n",
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"volume": 81.5036372913389,
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"formula_full": "Mg3 Nb1",
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"spacegroup": 25
}
]
}