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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4486",
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"results": [
{
"id": "jvasp-27502",
"created_at": "2022-09-04T14:38:13.479597Z",
"updated_at": "2022-09-04T14:38:13.479624Z",
"structure_string": "Sr4 P4 Se12\n1.0\n0.000000 7.039021 0.004064\n7.819735 0.000000 0.000000\n0.000000 -6.731934 -9.827922\nSr P Se\n4 4 12\ndirect\n0.714307 0.891763 0.251613 Sr\n0.285694 0.391763 0.248387 Sr\n0.285694 0.108237 0.748387 Sr\n0.714307 0.608236 0.751613 Sr\n0.376412 0.892877 0.435879 P\n0.623588 0.392877 0.064121 P\n0.623588 0.107123 0.564121 P\n0.376413 0.607122 0.935879 P\n0.390070 0.305124 0.554311 Se\n0.609931 0.805123 0.945689 Se\n0.220049 0.797647 0.542344 Se\n0.779952 0.297647 0.957656 Se\n0.779952 0.202353 0.457656 Se\n0.871283 0.997333 0.767806 Se\n0.128718 0.002667 0.232194 Se\n0.871283 0.502667 0.267806 Se\n0.390069 0.194876 0.054312 Se\n0.128718 0.497333 0.732194 Se\n0.220048 0.702353 0.042344 Se\n0.609931 0.694876 0.445689 Se\n",
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{
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"structure_string": "Pt2 S4 Cl16\n1.0\n0.000000 6.223151 -0.070219\n7.128407 0.000000 0.000000\n0.000000 -2.043965 -12.167527\nPt S Cl\n2 4 16\ndirect\n0.000000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.700360 0.788150 0.978947 S\n0.700360 0.711851 0.478947 S\n0.299640 0.211850 0.021054 S\n0.299641 0.288150 0.521054 S\n0.256904 0.664055 0.624645 Cl\n0.743097 0.164055 0.875355 Cl\n0.743097 0.335946 0.375355 Cl\n0.256903 0.835946 0.124645 Cl\n0.297928 0.159033 0.666871 Cl\n0.702073 0.659033 0.833129 Cl\n0.702073 0.840968 0.333129 Cl\n0.219484 0.075020 0.413228 Cl\n0.780516 0.575020 0.086773 Cl\n0.171698 0.894586 0.854225 Cl\n0.219485 0.424980 0.913228 Cl\n0.780516 0.924981 0.586773 Cl\n0.828303 0.105415 0.145775 Cl\n0.171698 0.605415 0.354225 Cl\n0.297928 0.340967 0.166871 Cl\n0.828303 0.394586 0.645775 Cl\n",
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"volume": 540.7886345952401,
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"formula_full": "Pt2 S4 Cl16",
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"spacegroup": 14
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{
"id": "jvasp-13421",
"created_at": "2022-09-04T14:36:59.057565Z",
"updated_at": "2022-09-04T14:36:59.057593Z",
"structure_string": "Pt2 S4 Cl16\n1.0\n0.000000 6.223875 -0.069933\n7.127005 0.000000 0.000000\n0.000000 -2.044794 -12.170257\nPt S Cl\n2 4 16\ndirect\n0.000000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.700369 0.788127 0.978969 S\n0.700369 0.711872 0.478969 S\n0.299630 0.211873 0.021031 S\n0.299631 0.288127 0.521031 S\n0.256872 0.664198 0.624567 Cl\n0.743128 0.164198 0.875433 Cl\n0.743128 0.335801 0.375433 Cl\n0.256872 0.835801 0.124567 Cl\n0.298098 0.159126 0.666866 Cl\n0.701902 0.659126 0.833134 Cl\n0.701902 0.840873 0.333134 Cl\n0.219452 0.074866 0.413287 Cl\n0.780548 0.574866 0.086713 Cl\n0.171579 0.894621 0.854213 Cl\n0.219452 0.425133 0.913287 Cl\n0.780548 0.925133 0.586713 Cl\n0.828421 0.105379 0.145787 Cl\n0.171579 0.605378 0.354213 Cl\n0.298098 0.340874 0.166866 Cl\n0.828421 0.394621 0.645787 Cl\n",
"nsites": 22,
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"elements": [
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"volume": 540.8624004203372,
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{
"id": "jvasp-58848",
"created_at": "2022-09-04T14:38:14.801698Z",
"updated_at": "2022-09-04T14:38:14.801730Z",
"structure_string": "V4 Se18\n1.0\n8.174908 -0.044258 -0.492512\n-0.570289 8.076320 -1.319084\n-0.040501 -0.030176 8.203024\nV Se\n4 18\ndirect\n0.083826 0.135997 0.601145 V\n0.416175 0.398854 0.864003 V\n0.916175 0.864003 0.398855 V\n0.583826 0.601145 0.135997 V\n0.458513 0.707791 0.406937 Se\n0.041487 0.593064 0.292209 Se\n0.823334 0.993472 0.678606 Se\n0.676666 0.321394 0.006527 Se\n0.176666 0.006527 0.321394 Se\n0.323334 0.678605 0.993473 Se\n0.057052 0.846617 0.679783 Se\n0.442948 0.320216 0.153383 Se\n0.557052 0.679783 0.846617 Se\n0.250000 0.414661 0.585338 Se\n0.112885 0.290835 0.912115 Se\n0.387115 0.087884 0.709165 Se\n0.887115 0.709165 0.087885 Se\n0.612885 0.912115 0.290835 Se\n0.958513 0.406936 0.707791 Se\n0.541487 0.292208 0.593064 Se\n0.942948 0.153382 0.320217 Se\n0.750000 0.585338 0.414662 Se\n",
"nsites": 22,
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"elements": [
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"volume": 540.8852895034472,
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"formula_full": "V4 Se18",
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{
"id": "jvasp-5491",
"created_at": "2022-09-04T14:35:54.379163Z",
"updated_at": "2022-09-04T14:35:54.379179Z",
"structure_string": "V4 Se18\n1.0\n8.175157 -0.044490 -0.492723\n-0.570495 8.076229 -1.318988\n-0.040718 -0.030108 8.202932\nV Se\n4 18\ndirect\n0.083841 0.135975 0.601158 V\n0.416159 0.398842 0.864025 V\n0.916159 0.864025 0.398842 V\n0.583841 0.601158 0.135975 V\n0.458537 0.707812 0.406900 Se\n0.041463 0.593100 0.292188 Se\n0.823348 0.993446 0.678604 Se\n0.676651 0.321395 0.006554 Se\n0.176651 0.006553 0.321395 Se\n0.323348 0.678604 0.993446 Se\n0.057043 0.846585 0.679759 Se\n0.442957 0.320240 0.153415 Se\n0.557043 0.679760 0.846585 Se\n0.250000 0.414642 0.585357 Se\n0.112896 0.290803 0.912137 Se\n0.387103 0.087863 0.709197 Se\n0.887103 0.709197 0.087863 Se\n0.612896 0.912137 0.290803 Se\n0.958537 0.406900 0.707812 Se\n0.541463 0.292188 0.593100 Se\n0.942957 0.153414 0.320240 Se\n0.750000 0.585357 0.414643 Se\n",
"nsites": 22,
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"elements": [
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},
{
"id": "jvasp-20995",
"created_at": "2022-09-04T14:38:39.037076Z",
"updated_at": "2022-09-04T14:38:39.037087Z",
"structure_string": "Ba4 N8 O24\n1.0\n8.147903 -0.000000 0.000000\n-0.000000 8.147903 -0.000000\n0.000000 -0.000000 8.147903\nBa N O\n4 8 24\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.850187 0.149812 0.649812 N\n0.149812 0.649812 0.850187 N\n0.649812 0.649812 0.649812 N\n0.649812 0.850187 0.149812 N\n0.149812 0.850187 0.350187 N\n0.350187 0.149812 0.850187 N\n0.350187 0.350187 0.350187 N\n0.850187 0.350187 0.149812 N\n0.788848 0.022714 0.715728 O\n0.288849 0.022714 0.784272 O\n0.022714 0.784272 0.288849 O\n0.788848 0.477286 0.215728 O\n0.711151 0.522714 0.715728 O\n0.522714 0.715728 0.711151 O\n0.715728 0.711151 0.522714 O\n0.215728 0.711151 0.977286 O\n0.715728 0.788848 0.022714 O\n0.784272 0.211151 0.522714 O\n0.522714 0.784272 0.211151 O\n0.477286 0.284272 0.288849 O\n0.711151 0.977286 0.215728 O\n0.977286 0.215728 0.711151 O\n0.211151 0.522714 0.784272 O\n0.288849 0.477286 0.284272 O\n0.977286 0.284272 0.211151 O\n0.284272 0.288849 0.477286 O\n0.284272 0.211151 0.977286 O\n0.215728 0.788848 0.477286 O\n0.211151 0.977286 0.284272 O\n0.784272 0.288849 0.022714 O\n0.022714 0.715728 0.788848 O\n0.477286 0.215728 0.788848 O\n",
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"elements": [
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{
"id": "jvasp-99069",
"created_at": "2022-09-04T14:35:59.711116Z",
"updated_at": "2022-09-04T14:35:59.711142Z",
"structure_string": "K2 Zr4 P6 O24\n1.0\n7.805342 -0.011512 5.427675\n2.830553 7.274027 5.427675\n-0.016860 -0.011512 9.506983\nK Zr P O\n2 4 6 24\ndirect\n0.000000 0.000000 0.000000 K\n0.499999 0.500001 0.499999 K\n0.148845 0.148846 0.148845 Zr\n0.351154 0.351155 0.351154 Zr\n0.851153 0.851155 0.851153 Zr\n0.648845 0.648846 0.648845 Zr\n0.750000 0.036931 0.463069 P\n0.036930 0.463070 0.749999 P\n0.463069 0.750001 0.036930 P\n0.249999 0.963070 0.536930 P\n0.963069 0.536931 0.249999 P\n0.536930 0.250001 0.963069 P\n0.367043 0.239789 0.989099 O\n0.739788 0.867045 0.489099 O\n0.760211 0.010901 0.632955 O\n0.010900 0.632957 0.760211 O\n0.632955 0.760212 0.010900 O\n0.132956 0.510901 0.260211 O\n0.510900 0.260212 0.132956 O\n0.260211 0.132956 0.510900 O\n0.239788 0.989100 0.367043 O\n0.989099 0.367044 0.239788 O\n0.069186 0.294078 0.922545 O\n0.930812 0.705923 0.077454 O\n0.922545 0.069187 0.294077 O\n0.577454 0.205923 0.430813 O\n0.205922 0.430814 0.577454 O\n0.430813 0.577455 0.205922 O\n0.489099 0.739790 0.867043 O\n0.705922 0.077455 0.930812 O\n0.077454 0.930814 0.705922 O\n0.422545 0.794078 0.569186 O\n0.794077 0.569187 0.422544 O\n0.569186 0.422546 0.794077 O\n0.294077 0.922546 0.069186 O\n0.867043 0.489100 0.739788 O\n",
"nsites": 36,
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"volume_molar": 9.050915445493422,
"formula_full": "K2 Zr4 P6 O24",
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{
"id": "jvasp-96693",
"created_at": "2022-09-04T14:35:47.371691Z",
"updated_at": "2022-09-04T14:35:47.371722Z",
"structure_string": "I8 Cl8\n1.0\n4.328950 0.000000 0.000000\n0.000000 10.597691 -5.365035\n0.000000 -0.043134 11.816599\nI Cl\n8 8\ndirect\n0.868921 0.633539 0.703896 I\n0.631079 0.133539 0.703896 I\n0.876081 0.109480 0.186959 I\n0.368921 0.866462 0.296105 I\n0.123919 0.890520 0.813042 I\n0.131079 0.366462 0.296105 I\n0.623919 0.609480 0.186959 I\n0.376081 0.390520 0.813042 I\n0.862292 0.151997 0.525883 Cl\n0.637707 0.651997 0.525884 Cl\n0.137707 0.848004 0.474117 Cl\n0.144506 0.616698 0.909098 Cl\n0.855494 0.383302 0.090902 Cl\n0.644506 0.883302 0.090903 Cl\n0.362292 0.348004 0.474117 Cl\n0.355494 0.116698 0.909098 Cl\n",
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"volume": 541.1068430205123,
"volume_molar": 20.366384842929683,
"formula_full": "I8 Cl8",
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"spacegroup": 14
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{
"id": "jvasp-21535",
"created_at": "2022-09-04T14:36:17.427239Z",
"updated_at": "2022-09-04T14:36:17.427265Z",
"structure_string": "Ca4 Te8 O20\n1.0\n0.000000 9.419572 0.113045\n5.693558 0.000000 0.000000\n0.000000 -4.638447 -10.145689\nCa Te O\n4 8 20\ndirect\n0.018947 0.199024 0.640015 Ca\n0.981053 0.699024 0.859986 Ca\n0.981053 0.800976 0.359986 Ca\n0.018947 0.300976 0.140015 Ca\n0.348218 0.151201 0.989785 Te\n0.651781 0.848799 0.010216 Te\n0.348219 0.348799 0.489785 Te\n0.651781 0.651201 0.510216 Te\n0.732529 0.175778 0.775111 Te\n0.732529 0.324222 0.275111 Te\n0.267471 0.824222 0.224890 Te\n0.267471 0.675778 0.724890 Te\n0.771507 0.897083 0.896675 O\n0.886085 0.348084 0.911765 O\n0.113915 0.848084 0.588235 O\n0.150520 0.001905 0.295450 O\n0.849480 0.501905 0.204551 O\n0.849480 -0.001905 0.704551 O\n0.150520 0.498096 0.795450 O\n0.228493 0.397083 0.603325 O\n0.771507 0.602918 0.396675 O\n0.478580 0.606647 0.593314 O\n0.198958 0.974810 0.847500 O\n0.801041 0.474810 0.652500 O\n0.801042 0.025190 0.152500 O\n0.198958 0.525190 0.347500 O\n0.886085 0.151916 0.411765 O\n0.521420 0.106647 0.906687 O\n0.521420 0.393353 0.406687 O\n0.478580 0.893353 0.093314 O\n0.228493 0.102917 0.103325 O\n0.113915 0.651917 0.088235 O\n",
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"spacegroup": 14
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{
"id": "jvasp-59148",
"created_at": "2022-09-04T14:38:32.852624Z",
"updated_at": "2022-09-04T14:38:32.852636Z",
"structure_string": "In10 S10 Cl2\n1.0\n0.000000 9.032580 -0.029589\n3.973750 0.000000 0.000000\n0.000000 -1.006989 -15.080378\nIn S Cl\n10 10 2\ndirect\n0.658682 0.250000 0.446122 In\n0.341318 0.750000 0.553878 In\n0.134731 0.250000 0.063446 In\n0.865269 0.750000 0.936554 In\n0.956348 0.750000 0.354224 In\n0.043652 0.250000 0.645776 In\n0.237836 0.750000 0.290606 In\n0.762164 0.250000 0.709394 In\n0.620073 0.750000 0.155437 In\n0.379927 0.250000 0.844563 In\n0.208239 0.750000 0.704342 S\n0.791761 0.250000 0.295658 S\n0.034481 0.250000 0.898324 S\n0.965519 0.750000 0.101676 S\n0.678066 0.750000 0.802197 S\n0.467759 0.750000 0.399401 S\n0.165180 0.250000 0.498126 S\n0.834820 0.750000 0.501875 S\n0.532240 0.250000 0.600599 S\n0.321934 0.250000 0.197803 S\n0.329814 0.750000 0.004017 Cl\n0.670186 0.250000 0.995983 Cl\n",
"nsites": 22,
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"elements": [
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],
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"formula_full": "In10 S10 Cl2",
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},
{
"id": "jvasp-86152",
"created_at": "2022-09-04T14:36:20.057075Z",
"updated_at": "2022-09-04T14:36:20.057098Z",
"structure_string": "Rb8 Te4\n1.0\n5.552971 -0.000000 0.000000\n0.000000 8.886730 0.000000\n0.000000 0.000000 10.977196\nRb Te\n8 4\ndirect\n0.250000 0.030921 0.179378 Rb\n0.750000 0.969079 0.820622 Rb\n0.750000 0.347175 0.070999 Rb\n0.250000 0.152825 0.570999 Rb\n0.250000 0.652825 0.929001 Rb\n0.250000 0.530921 0.320622 Rb\n0.750000 0.847175 0.429001 Rb\n0.750000 0.469079 0.679378 Rb\n0.250000 0.246536 0.884899 Te\n0.750000 0.253464 0.384899 Te\n0.250000 0.746536 0.615102 Te\n0.750000 0.753464 0.115101 Te\n",
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"volume": 541.699967541488,
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"formula_full": "Rb8 Te4",
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"spacegroup": 62
},
{
"id": "jvasp-86754",
"created_at": "2022-09-04T14:36:21.260917Z",
"updated_at": "2022-09-04T14:36:21.260942Z",
"structure_string": "Rb8 Te4\n1.0\n5.553327 0.000000 0.000000\n0.000000 8.888047 0.000000\n0.000000 0.000000 10.975667\nRb Te\n8 4\ndirect\n0.250000 0.030861 0.179403 Rb\n0.750000 0.969139 0.820597 Rb\n0.750000 0.347256 0.071000 Rb\n0.250000 0.152745 0.571000 Rb\n0.250000 0.652745 0.929000 Rb\n0.250000 0.530862 0.320597 Rb\n0.750000 0.847256 0.429000 Rb\n0.750000 0.469139 0.679403 Rb\n0.250000 0.246568 0.884922 Te\n0.750000 0.253432 0.384922 Te\n0.250000 0.746568 0.615079 Te\n0.750000 0.753432 0.115078 Te\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Rb",
"Te"
],
"chemical_system": "Rb-Te",
"density": 3.6602833367254184,
"density_atomic": 0.02215086724952781,
"volume": 541.7395113618319,
"volume_molar": 27.186929938954755,
"formula_full": "Rb8 Te4",
"formula_reduced": "Rb2Te",
"formula_anonymous": "AB2",
"energy_above_hull": 4.000000000001225e-05,
"spacegroup": 62
}
]
}