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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4460",
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"results": [
{
"id": "jvasp-12132",
"created_at": "2022-09-04T14:37:04.979469Z",
"updated_at": "2022-09-04T14:37:04.979495Z",
"structure_string": "Mn4 Sb4 Se8 Br4\n1.0\n3.985118 -0.000000 0.000000\n-0.000000 9.939904 0.000000\n0.000000 0.000000 12.891269\nMn Sb Se Br\n4 4 8 4\ndirect\n0.750000 0.493849 0.762879 Mn\n0.750000 0.993849 0.737121 Mn\n0.250000 0.006151 0.262879 Mn\n0.250000 0.506150 0.237121 Mn\n0.250000 0.810182 0.964222 Sb\n0.750000 0.689817 0.464222 Sb\n0.250000 0.310182 0.535778 Sb\n0.750000 0.189818 0.035778 Sb\n0.750000 0.444791 0.381322 Se\n0.250000 0.055209 0.881322 Se\n0.250000 0.749018 0.322197 Se\n0.750000 0.944791 0.118678 Se\n0.750000 0.250981 0.677803 Se\n0.750000 0.750981 0.822197 Se\n0.250000 0.555208 0.618678 Se\n0.250000 0.249019 0.177803 Se\n0.250000 0.931470 0.610655 Br\n0.250000 0.431470 0.889345 Br\n0.750000 0.068530 0.389345 Br\n0.750000 0.568530 0.110655 Br\n",
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{
"id": "jvasp-31822",
"created_at": "2022-09-04T14:37:04.274298Z",
"updated_at": "2022-09-04T14:37:04.274317Z",
"structure_string": "Sb2 Kr6 F22\n1.0\n7.136516 -0.068229 3.511253\n-0.338832 7.952100 2.999912\n-0.065096 0.014342 8.976062\nSb Kr F\n2 6 22\ndirect\n0.292329 0.678139 0.780504 Sb\n0.707671 0.321861 0.219495 Sb\n0.807686 0.854689 0.712179 Kr\n0.192314 0.145311 0.287820 Kr\n0.227146 0.164517 0.778034 Kr\n0.772855 0.835483 0.221966 Kr\n0.693602 0.330389 0.726750 Kr\n0.306398 0.669610 0.273249 Kr\n0.128549 0.555215 0.260792 F\n0.871452 0.444785 0.739207 F\n0.774789 0.444895 0.330666 F\n0.225211 0.555105 0.669334 F\n0.484266 0.799669 0.312017 F\n0.515734 0.200331 0.687982 F\n0.669043 0.530523 0.063622 F\n0.024065 0.893130 0.148662 F\n0.036673 0.681651 0.939788 F\n0.632586 0.198304 0.113601 F\n0.367414 0.801696 0.886399 F\n0.448735 0.317630 0.380838 F\n0.551265 0.682369 0.619161 F\n0.261661 0.887625 0.619065 F\n0.738339 0.112374 0.380934 F\n0.674294 0.927796 0.915059 F\n0.325706 0.072204 0.084940 F\n0.946465 0.790710 0.504324 F\n0.053535 0.209289 0.495675 F\n0.975935 0.106870 0.851337 F\n0.963327 0.318348 0.060212 F\n0.330957 0.469477 0.936377 F\n",
"nsites": 30,
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"elements": [
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"Kr",
"F"
],
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"density_atomic": 0.05874365930463531,
"volume": 510.69341534249264,
"volume_molar": 10.25155877465878,
"formula_full": "Sb2 Kr6 F22",
"formula_reduced": "SbKr3F11",
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"energy_above_hull": 0.0,
"spacegroup": 2
},
{
"id": "jvasp-97539",
"created_at": "2022-09-04T14:35:56.987793Z",
"updated_at": "2022-09-04T14:35:56.987819Z",
"structure_string": "P8 H8 O8 F16\n1.0\n14.027324 0.000000 0.000000\n0.000000 5.901305 -0.000000\n0.000000 0.000000 6.169473\nP H O F\n8 8 8 16\ndirect\n0.644772 0.555664 0.303088 P\n0.144772 0.944337 0.696911 P\n0.355228 0.055663 0.196911 P\n0.855228 0.444337 0.803088 P\n0.355228 0.444337 0.696911 P\n0.855228 0.055663 0.303088 P\n0.644772 0.944337 0.803088 P\n0.144772 0.555664 0.196911 P\n0.183718 0.418418 0.356209 H\n0.683718 0.081582 0.643791 H\n0.816282 0.918419 0.143791 H\n0.316282 0.581582 0.856208 H\n0.183718 0.081582 0.856208 H\n0.316282 0.918419 0.356209 H\n0.683718 0.418418 0.143791 H\n0.816282 0.581582 0.643791 H\n0.797545 0.233647 0.405356 O\n0.202454 0.733647 0.094644 O\n0.702454 0.766354 0.905356 O\n0.297545 0.266354 0.594644 O\n0.797545 0.266354 0.905356 O\n0.297545 0.233647 0.094644 O\n0.202454 0.766354 0.594644 O\n0.702454 0.733647 0.405356 O\n0.951185 0.142720 0.202349 F\n0.451185 0.357281 0.797651 F\n0.951185 0.357281 0.702348 F\n0.451185 0.142720 0.297651 F\n0.048815 0.857281 0.797651 F\n0.548815 0.642720 0.202349 F\n0.102351 0.385251 0.026369 F\n0.602351 0.114749 0.973630 F\n0.897649 0.885251 0.473630 F\n0.397649 0.614750 0.526369 F\n0.897649 0.614750 0.973630 F\n0.397649 0.885251 0.026369 F\n0.102351 0.114749 0.526369 F\n0.602351 0.385251 0.473630 F\n0.548815 0.857281 0.702348 F\n0.048815 0.642720 0.297651 F\n",
"nsites": 40,
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],
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"density_atomic": 0.07832294952558165,
"volume": 510.70599667515455,
"volume_molar": 7.688858497384682,
"formula_full": "P8 H8 O8 F16",
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},
{
"id": "jvasp-31702",
"created_at": "2022-09-04T14:38:36.524477Z",
"updated_at": "2022-09-04T14:38:36.524493Z",
"structure_string": "Nb1 W7 Se16\n1.0\n-1.503667 2.994474 0.000000\n-0.000001 0.000002 13.122869\n10.380498 5.212514 0.000000\nNb W Se\n1 7 16\ndirect\n0.499921 0.750000 0.913748 Nb\n0.500075 0.250000 0.583358 W\n0.499923 0.750000 0.417417 W\n0.000075 0.250000 0.333225 W\n0.999923 0.750000 0.170579 W\n0.500075 0.250000 0.083350 W\n0.999921 0.750000 0.664386 W\n0.000076 0.250000 0.833440 W\n0.999922 0.877820 0.335584 Se\n0.499922 0.622214 0.582333 Se\n0.000077 0.122581 0.666780 Se\n0.500076 0.122601 0.416652 Se\n0.499921 0.877786 0.582333 Se\n0.999920 0.619629 0.828619 Se\n0.500076 0.122459 0.916741 Se\n0.500076 0.377540 0.916741 Se\n0.999920 0.880372 0.828619 Se\n0.999923 0.622180 0.335584 Se\n0.499922 0.877329 0.086903 Se\n0.000076 0.377505 0.166635 Se\n0.000076 0.122495 0.166635 Se\n0.499922 0.622671 0.086903 Se\n0.500075 0.377399 0.416652 Se\n0.000076 0.377419 0.666780 Se\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"W",
"Se"
],
"chemical_system": "Nb-Se-W",
"density": 8.593027175709352,
"density_atomic": 0.04698801666021399,
"volume": 510.76852580418534,
"volume_molar": 12.816333159043737,
"formula_full": "Nb1 W7 Se16",
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"formula_anonymous": "AB7C16",
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"spacegroup": 25
},
{
"id": "jvasp-112951",
"created_at": "2022-09-04T14:38:43.413472Z",
"updated_at": "2022-09-04T14:38:43.413496Z",
"structure_string": "Y14 Rh6\n1.0\n9.773225 0.000000 0.000000\n-4.886613 8.463861 0.000000\n-0.000000 -0.000000 6.175046\nY Rh\n14 6\ndirect\n0.333334 0.666667 0.456121 Y\n0.458732 0.917461 0.945280 Y\n0.082539 0.541269 0.945280 Y\n0.458732 0.541269 0.945280 Y\n0.541269 0.082538 0.445280 Y\n0.541269 0.458731 0.445280 Y\n0.876176 0.752350 0.752174 Y\n0.917462 0.458731 0.445280 Y\n0.876176 0.123824 0.752174 Y\n0.123825 0.247650 0.252174 Y\n0.752351 0.876175 0.252174 Y\n0.123825 0.876175 0.252174 Y\n0.666667 0.333333 0.956121 Y\n0.247650 0.123824 0.752174 Y\n0.620827 0.810414 0.681449 Rh\n0.810414 0.189586 0.181448 Rh\n0.379174 0.189586 0.181448 Rh\n0.810414 0.620826 0.181448 Rh\n0.189587 0.810414 0.681449 Rh\n0.189587 0.379174 0.681449 Rh\n",
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],
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},
{
"id": "jvasp-45315",
"created_at": "2022-09-04T14:38:29.634805Z",
"updated_at": "2022-09-04T14:38:29.634825Z",
"structure_string": "Na2 Sm6 Si2 S14\n1.0\n5.065728 -8.774099 0.000000\n5.065728 8.774099 -0.000000\n0.000000 -0.000000 5.746581\nNa Sm Si S\n2 6 2 14\ndirect\n0.000000 0.000000 0.980383 Na\n0.000000 0.000000 0.480383 Na\n0.361173 0.234507 0.249622 Sm\n0.234507 0.873333 0.749622 Sm\n0.873333 0.638827 0.249622 Sm\n0.765494 0.126668 0.249622 Sm\n0.126668 0.361173 0.749622 Sm\n0.638827 0.765494 0.749622 Sm\n0.333333 0.666667 0.335357 Si\n0.666667 0.333333 0.835357 Si\n0.477656 0.889244 0.483331 S\n0.889244 0.411587 0.983331 S\n0.588413 0.477656 0.983331 S\n0.522344 0.110756 0.983331 S\n0.333333 0.666667 0.967147 S\n0.666667 0.333333 0.467148 S\n0.831347 0.091165 0.728816 S\n0.110756 0.588413 0.483331 S\n0.740182 0.831347 0.228817 S\n0.091165 0.259818 0.228817 S\n0.411587 0.522344 0.483331 S\n0.259818 0.168654 0.728816 S\n0.908836 0.740182 0.728816 S\n0.168654 0.908836 0.228817 S\n",
"nsites": 24,
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"elements": [
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],
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"density_atomic": 0.046981547330349024,
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"formula_full": "Na2 Sm6 Si2 S14",
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"spacegroup": 173
},
{
"id": "jvasp-96987",
"created_at": "2022-09-04T14:35:45.693751Z",
"updated_at": "2022-09-04T14:35:45.693782Z",
"structure_string": "K4 Cd4 Cl12\n1.0\n4.022288 -0.000000 0.000000\n-0.000000 8.735516 0.000000\n0.000000 0.000000 14.543784\nK Cd Cl\n4 4 12\ndirect\n0.750000 0.576439 0.176692 K\n0.250000 0.423562 0.823307 K\n0.750000 0.076439 0.323307 K\n0.250000 0.923562 0.676692 K\n0.250000 0.172238 0.056820 Cd\n0.250000 0.672238 0.443180 Cd\n0.750000 0.327762 0.556820 Cd\n0.750000 0.827763 0.943180 Cd\n0.750000 0.202593 0.714100 Cl\n0.250000 0.797408 0.285900 Cl\n0.750000 0.476533 0.395295 Cl\n0.750000 0.338352 0.989677 Cl\n0.250000 0.661648 0.010323 Cl\n0.750000 0.838352 0.510323 Cl\n0.250000 0.161648 0.489677 Cl\n0.250000 0.023467 0.895295 Cl\n0.750000 0.976533 0.104705 Cl\n0.250000 0.523468 0.604705 Cl\n0.250000 0.297408 0.214100 Cl\n0.750000 0.702593 0.785899 Cl\n",
"nsites": 20,
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"elements": [
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],
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"density": 3.351721330365504,
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},
{
"id": "jvasp-88347",
"created_at": "2022-09-04T14:35:45.797727Z",
"updated_at": "2022-09-04T14:35:45.797752Z",
"structure_string": "P6 H24 N6 O19\n1.0\n7.642362 4.412319 2.526053\n-7.642362 4.412319 2.526053\n-0.000000 -8.824641 2.526053\nP H N O\n6 24 6 19\ndirect\n0.220224 0.122643 0.866063 P\n0.122643 0.866063 0.220224 P\n0.866063 0.220225 0.122643 P\n0.779774 0.877356 0.133935 P\n0.877355 0.133936 0.779774 P\n0.133936 0.779774 0.877355 P\n0.634719 0.518132 0.217830 H\n0.481867 0.782169 0.365280 H\n0.782169 0.365280 0.481867 H\n0.365280 0.481867 0.782169 H\n0.352507 0.538699 0.153872 H\n0.153872 0.352506 0.538699 H\n0.217830 0.634719 0.518132 H\n0.846127 0.647492 0.461299 H\n0.647492 0.461299 0.846127 H\n0.538699 0.153872 0.352506 H\n0.518132 0.217830 0.634718 H\n0.461299 0.846127 0.647492 H\n0.774870 0.380080 0.801876 H\n0.801876 0.774870 0.380080 H\n0.619919 0.198123 0.225129 H\n0.225129 0.619919 0.198123 H\n0.198123 0.225129 0.619919 H\n0.354224 0.711525 0.125003 H\n0.125003 0.354224 0.711525 H\n0.711525 0.125003 0.354224 H\n0.645775 0.288473 0.874995 H\n0.380080 0.801876 0.774869 H\n0.874996 0.645775 0.288473 H\n0.288473 0.874995 0.645775 H\n0.211782 0.354890 0.663433 N\n0.663433 0.211782 0.354890 N\n0.354890 0.663433 0.211782 N\n0.645108 0.336566 0.788216 N\n0.336566 0.788216 0.645108 N\n0.788217 0.645108 0.336565 N\n0.953914 0.303117 0.768848 O\n0.966326 0.240719 0.014204 O\n0.014204 0.966326 0.240719 O\n0.759279 0.985794 0.033672 O\n0.033673 0.759279 0.985794 O\n0.985794 0.033673 0.759279 O\n0.303117 0.768848 0.953914 O\n0.768848 0.953914 0.303117 O\n0.363727 0.346288 0.038599 O\n0.046085 0.696881 0.231151 O\n0.231151 0.046085 0.696881 O\n0.961400 0.636272 0.653711 O\n0.653711 0.961400 0.636272 O\n0.636272 0.653711 0.961399 O\n0.038599 0.363727 0.346287 O\n0.346288 0.038599 0.363727 O\n0.240719 0.014204 0.966326 O\n0.696881 0.231151 0.046085 O\n0.499999 0.499999 0.499999 O\n",
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"elements": [
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],
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"density_atomic": 0.10761538745186144,
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"volume_molar": 5.5959848332041044,
"formula_full": "P6 H24 N6 O19",
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},
{
"id": "jvasp-97661",
"created_at": "2022-09-04T14:35:52.578760Z",
"updated_at": "2022-09-04T14:35:52.578779Z",
"structure_string": "Si4 B4 H4 C12 N4 Cl8\n1.0\n8.070152 0.000000 0.487734\n0.000000 10.477005 0.000000\n1.570408 0.000000 6.140222\nSi B H C N Cl\n4 4 4 12 4 8\ndirect\n0.275278 0.838133 0.512039 Si\n0.724722 0.338133 0.987960 Si\n0.724722 0.161867 0.487960 Si\n0.275278 0.661867 0.012039 Si\n0.898857 0.936017 0.598825 B\n0.101144 0.436017 0.901174 B\n0.101143 0.063984 0.401174 B\n0.898857 0.563984 0.098825 B\n0.105691 0.503077 0.225302 H\n0.894309 0.003076 0.274698 H\n0.105691 -0.003076 0.725301 H\n0.894309 0.496924 0.774697 H\n0.440032 0.637147 0.224083 C\n0.313240 0.726150 0.271912 C\n0.686760 0.226149 0.228087 C\n0.686760 0.273851 0.728087 C\n0.313240 -0.226149 0.771912 C\n0.559968 0.137146 0.275917 C\n0.559968 0.362854 0.775916 C\n0.440032 -0.137146 0.724082 C\n0.457909 0.554517 0.037802 C\n0.542091 0.054517 0.462197 C\n0.542091 0.445483 0.962197 C\n0.457910 -0.054517 0.537802 C\n0.902711 0.045345 0.418039 N\n0.097289 0.545345 0.081961 N\n0.097289 -0.045345 0.581960 N\n0.902711 0.454656 0.918038 N\n0.148256 0.219630 0.488932 Cl\n0.756076 0.988058 0.871540 Cl\n0.243924 0.488057 0.628459 Cl\n0.243924 0.011943 0.128459 Cl\n0.756076 0.511943 0.371540 Cl\n-0.148256 0.780370 0.511068 Cl\n0.148256 0.280370 0.988932 Cl\n-0.148256 0.719630 0.011068 Cl\n",
"nsites": 36,
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"elements": [
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"volume_molar": 8.550390672307781,
"formula_full": "Si4 B4 H4 C12 N4 Cl8",
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},
{
"id": "jvasp-5539",
"created_at": "2022-09-04T14:36:45.808732Z",
"updated_at": "2022-09-04T14:36:45.808750Z",
"structure_string": "Sm8 Cl12 O2\n1.0\n4.594551 -7.957997 0.000000\n4.594551 7.957997 0.000000\n0.000000 0.000000 6.990743\nSm Cl O\n8 12 2\ndirect\n0.807135 0.192865 0.515333 Sm\n0.614269 0.807134 0.015334 Sm\n0.192865 0.385731 0.015334 Sm\n0.807134 0.614269 0.515333 Sm\n0.385731 0.192865 0.515333 Sm\n0.192865 0.807135 0.015334 Sm\n0.666667 0.333333 0.866013 Sm\n0.333333 0.666667 0.366014 Sm\n0.135726 0.271453 0.414979 Cl\n0.864274 0.728546 0.914978 Cl\n0.271453 0.135726 0.914978 Cl\n0.135726 0.864274 0.414979 Cl\n0.022431 0.511215 0.725823 Cl\n0.511215 0.488784 0.225823 Cl\n0.977569 0.488784 0.225823 Cl\n0.864274 0.135726 0.914978 Cl\n0.488784 0.511215 0.725823 Cl\n0.511215 0.022431 0.225823 Cl\n0.488784 0.977569 0.725823 Cl\n0.728546 0.864274 0.414979 Cl\n0.333333 0.666667 0.021879 O\n0.666667 0.333333 0.521878 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
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],
"chemical_system": "Cl-O-Sm",
"density": 5.393110973569774,
"density_atomic": 0.04303506873660067,
"volume": 511.2109878260595,
"volume_molar": 13.993566030668987,
"formula_full": "Sm8 Cl12 O2",
"formula_reduced": "Sm4Cl6O",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.8112939459090911,
"spacegroup": 186
},
{
"id": "jvasp-14224",
"created_at": "2022-09-04T14:36:05.423477Z",
"updated_at": "2022-09-04T14:36:05.423493Z",
"structure_string": "Rb2 Te12\n1.0\n6.689890 -0.108697 -1.723258\n-3.055845 6.179616 -0.458497\n-0.025734 -0.016009 12.476417\nRb Te\n2 12\ndirect\n0.873793 0.623794 0.250000 Rb\n0.126206 0.376206 0.750000 Rb\n0.156330 0.228401 0.349964 Te\n0.378436 0.806367 0.150036 Te\n0.537004 0.760067 0.406989 Te\n0.853078 0.130015 0.093011 Te\n0.462996 0.239933 0.593011 Te\n0.146922 0.869985 0.906989 Te\n0.816122 0.223586 0.442620 Te\n0.280966 0.373503 0.057379 Te\n0.183878 0.776414 0.557379 Te\n0.719034 0.626497 0.942621 Te\n0.621563 0.193634 0.849964 Te\n0.843669 0.771599 0.650036 Te\n",
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"elements": [
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],
"chemical_system": "Rb-Te",
"density": 5.528705997164173,
"density_atomic": 0.027384718377265964,
"volume": 511.23403232155977,
"volume_molar": 21.990880742448727,
"formula_full": "Rb2 Te12",
"formula_reduced": "RbTe6",
"formula_anonymous": "AB6",
"energy_above_hull": 0.8392282452380952,
"spacegroup": 15
},
{
"id": "jvasp-20332",
"created_at": "2022-09-04T14:38:34.880456Z",
"updated_at": "2022-09-04T14:38:34.880471Z",
"structure_string": "Sr10 Si6\n1.0\n7.334541 -0.000000 -3.329671\n-1.511575 7.177091 -3.329671\n-0.009177 -0.011312 9.722820\nSr Si\n10 6\ndirect\n0.178459 0.037358 0.715816 Sr\n0.037357 0.537357 0.715817 Sr\n0.678459 0.178459 0.715816 Sr\n0.962643 0.462643 0.284184 Sr\n0.537357 0.678459 0.715817 Sr\n0.821541 0.962643 0.284184 Sr\n0.462643 0.321541 0.284184 Sr\n0.321541 0.821541 0.284184 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Sr\n0.608633 0.108633 0.000000 Si\n0.891368 0.608633 0.000000 Si\n0.108633 0.391367 0.000000 Si\n0.391368 0.891367 0.000000 Si\n0.750000 0.750000 0.500000 Si\n0.250000 0.250000 0.500000 Si\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Si-Sr",
"density": 3.39313801345919,
"density_atomic": 0.031295032786565584,
"volume": 511.2632445257742,
"volume_molar": 19.243120149678198,
"formula_full": "Sr10 Si6",
"formula_reduced": "Sr5Si3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.8981996687499999,
"spacegroup": 140
}
]
}