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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=841",
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{
"id": "jvasp-106042",
"created_at": "2022-09-04T14:36:05.674053Z",
"updated_at": "2022-09-04T14:36:05.674081Z",
"structure_string": "Li1 Bi3 I2 O4\n1.0\n7.232201 0.018566 0.000000\n-5.047930 5.179139 0.000000\n0.000000 0.000000 5.631735\nLi Bi I O\n1 3 2 4\ndirect\n0.296681 0.703320 0.500000 Li\n0.839959 0.160042 0.000000 Bi\n0.169964 0.830037 0.000000 Bi\n0.667474 0.332528 0.500000 Bi\n0.008745 0.991255 0.500000 I\n0.502195 0.497806 0.000000 I\n0.506021 -0.001472 0.751575 O\n0.001473 0.493980 0.248426 O\n0.001473 0.493980 0.751575 O\n0.506021 -0.001472 0.248426 O\n",
"nsites": 10,
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{
"id": "jvasp-93185",
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"updated_at": "2022-09-04T14:36:05.714869Z",
"structure_string": "K1 Sr1 Mg6\n1.0\n7.179241 0.231739 0.000000\n-3.388928 6.333274 0.000000\n0.000000 0.000000 5.347026\nK Sr Mg\n1 1 6\ndirect\n0.099959 0.400041 0.250000 K\n0.402042 0.097958 0.750001 Sr\n0.042535 0.877463 0.250000 Mg\n0.622537 0.457464 0.250000 Mg\n0.589261 0.910738 0.250000 Mg\n0.465170 0.625800 0.750001 Mg\n0.874200 0.034830 0.750001 Mg\n0.904296 0.595703 0.750001 Mg\n",
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"spacegroup": 38
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{
"id": "jvasp-94255",
"created_at": "2022-09-04T14:36:05.668644Z",
"updated_at": "2022-09-04T14:36:05.668671Z",
"structure_string": "Mg6 Ti1 Fe1\n1.0\n6.264630 -0.128835 0.000000\n-3.243890 5.360911 0.000000\n0.000000 0.000000 4.749790\nMg Ti Fe\n6 1 1\ndirect\n0.177211 0.841542 0.250000 Mg\n0.658458 0.322789 0.250000 Mg\n0.671475 0.828526 0.250000 Mg\n0.318919 0.662369 0.750000 Mg\n0.837632 0.181082 0.750000 Mg\n0.832567 0.667434 0.750000 Mg\n0.308124 0.191876 0.750000 Ti\n0.195616 0.304384 0.250000 Fe\n",
"nsites": 8,
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"elements": [
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"density": 2.6304052342663358,
"density_atomic": 0.05078318064956392,
"volume": 157.53247232001993,
"volume_molar": 11.858534032274548,
"formula_full": "Mg6 Ti1 Fe1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-93099",
"created_at": "2022-09-04T14:36:05.715523Z",
"updated_at": "2022-09-04T14:36:05.715539Z",
"structure_string": "Mg6 Si1 B1\n1.0\n5.904344 -1.396448 0.000000\n-4.161530 7.207982 0.000000\n0.000000 0.000000 4.103192\nMg Si B\n6 1 1\ndirect\n0.776410 0.389728 0.250000 Mg\n0.776409 0.886682 0.250000 Mg\n0.264734 0.056958 0.750000 Mg\n0.264734 0.707778 0.750000 Mg\n0.887071 0.193537 0.750000 Mg\n0.683254 0.591627 0.750000 Mg\n0.272197 0.386098 0.250000 Si\n0.075184 0.787591 0.250000 B\n",
"nsites": 8,
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"elements": [
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"Si",
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],
"chemical_system": "B-Mg-Si",
"density": 2.034389184821825,
"density_atomic": 0.05305737091690688,
"volume": 150.78018118403935,
"volume_molar": 11.350243436357356,
"formula_full": "Mg6 Si1 B1",
"formula_reduced": "Mg6SiB",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-94069",
"created_at": "2022-09-04T14:36:05.779320Z",
"updated_at": "2022-09-04T14:36:05.779346Z",
"structure_string": "Mg6 Ti1 V1\n1.0\n6.248694 0.126877 0.000000\n-3.014469 5.221212 0.000000\n0.000000 0.000000 4.981249\nMg Ti V\n6 1 1\ndirect\n0.657035 0.329414 0.250000 Mg\n0.657034 0.827621 0.250000 Mg\n0.329229 0.164945 0.750000 Mg\n0.329229 0.664286 0.750000 Mg\n0.858236 0.179119 0.750000 Mg\n0.851200 0.675601 0.750000 Mg\n0.156507 0.828253 0.250000 Ti\n0.161525 0.330762 0.250000 V\n",
"nsites": 8,
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"elements": [
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"V"
],
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"density": 2.4706629806592093,
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"volume": 164.42217721497386,
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"formula_full": "Mg6 Ti1 V1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-93127",
"created_at": "2022-09-04T14:36:05.785706Z",
"updated_at": "2022-09-04T14:36:05.785732Z",
"structure_string": "Ce1 Mg6 Cd1\n1.0\n6.884958 -0.307869 0.000000\n-3.709102 5.808614 0.000000\n0.000000 0.000000 5.027364\nCe Mg Cd\n1 6 1\ndirect\n0.190548 0.309451 0.250000 Ce\n0.172193 0.812520 0.250000 Mg\n0.687479 0.327807 0.250000 Mg\n0.650695 0.849304 0.250000 Mg\n0.315437 0.672167 0.749999 Mg\n0.827833 0.184563 0.749999 Mg\n0.804266 0.695733 0.749999 Mg\n0.351547 0.148453 0.749999 Cd\n",
"nsites": 8,
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"elements": [
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"Mg",
"Cd"
],
"chemical_system": "Cd-Ce-Mg",
"density": 3.386792313550202,
"density_atomic": 0.04095972214698615,
"volume": 195.31382491540282,
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{
"id": "jvasp-92948",
"created_at": "2022-09-04T14:36:06.131443Z",
"updated_at": "2022-09-04T14:36:06.131467Z",
"structure_string": "Rb1 Mg6 C1\n1.0\n8.224331 -0.009853 0.000000\n-4.120699 7.117552 0.000000\n0.000000 0.000000 3.390140\nRb Mg C\n1 6 1\ndirect\n0.159926 0.340074 0.250000 Rb\n0.204312 0.957326 0.250000 Mg\n0.542674 0.295688 0.250000 Mg\n0.710063 0.789937 0.250000 Mg\n0.367456 0.794879 0.750000 Mg\n0.705121 0.132545 0.750000 Mg\n0.907577 0.592424 0.750000 Mg\n0.402877 0.097123 0.750000 C\n",
"nsites": 8,
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"elements": [
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"Mg",
"C"
],
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"density": 2.037318113457348,
"density_atomic": 0.040340609411928345,
"volume": 198.3113323427998,
"volume_molar": 14.928234470893514,
"formula_full": "Rb1 Mg6 C1",
"formula_reduced": "RbMg6C",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"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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],
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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",
"energy_above_hull": 0.0024944874999999,
"spacegroup": 38
},
{
"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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],
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"density_atomic": 0.03925571301599527,
"volume": 203.7919931995705,
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"formula_full": "Sr1 Mg6 Al1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-92926",
"created_at": "2022-09-04T14:36:06.121442Z",
"updated_at": "2022-09-04T14:36:06.121475Z",
"structure_string": "Mg6 B1 W1\n1.0\n6.414568 -0.310546 0.000000\n-3.476224 5.399905 0.000000\n0.000000 0.000000 4.529992\nMg B W\n6 1 1\ndirect\n0.182677 0.830499 0.250000 Mg\n0.669500 0.317322 0.250000 Mg\n0.672690 0.827309 0.250000 Mg\n0.326511 0.645767 0.750000 Mg\n0.854232 0.173488 0.750000 Mg\n0.823733 0.676265 0.750000 Mg\n0.258140 0.241860 0.750000 B\n0.212516 0.287484 0.250000 W\n",
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"density_atomic": 0.052624698249964755,
"volume": 152.01987405230125,
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{
"id": "jvasp-94138",
"created_at": "2022-09-04T14:36:06.193524Z",
"updated_at": "2022-09-04T14:36:06.193558Z",
"structure_string": "Na1 Mg6 Co1\n1.0\n6.369643 -0.066719 0.000000\n-3.242602 5.482912 0.000000\n0.000000 0.000000 4.923416\nNa Mg Co\n1 6 1\ndirect\n0.326172 0.173828 0.750001 Na\n0.170412 0.815386 0.250000 Mg\n0.684614 0.329588 0.250000 Mg\n0.670349 0.829651 0.250000 Mg\n0.324694 0.642272 0.750001 Mg\n0.857728 0.175306 0.750001 Mg\n0.835902 0.664098 0.750001 Mg\n0.130130 0.369870 0.250000 Co\n",
"nsites": 8,
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{
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"structure_string": "Mg6 V1 Fe1\n1.0\n6.120377 0.161971 0.000000\n-2.919917 5.057443 0.000000\n0.000000 0.000000 4.793286\nMg V Fe\n6 1 1\ndirect\n0.653503 0.327315 0.250000 Mg\n0.653502 0.826185 0.250000 Mg\n0.327864 0.163577 0.750001 Mg\n0.327864 0.664286 0.750001 Mg\n0.868646 0.184323 0.750001 Mg\n0.855183 0.677592 0.750001 Mg\n0.152113 0.826056 0.250000 V\n0.161323 0.330660 0.250000 Fe\n",
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]
}