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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=1232",
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"results": [
{
"id": "jvasp-112886",
"created_at": "2022-09-04T14:38:45.223581Z",
"updated_at": "2022-09-04T14:38:45.223608Z",
"structure_string": "Mn7 Cd1 O12\n1.0\n6.039368 -0.000176 -2.110393\n-3.009958 5.221905 -2.143185\n-0.019861 0.000199 6.397115\nMn Cd O\n7 1 12\ndirect\n0.499998 -0.000001 0.500001 Mn\n0.000003 0.500000 0.499999 Mn\n0.500000 0.500000 0.000000 Mn\n-0.000000 0.000001 0.500001 Mn\n0.500000 0.499999 0.500000 Mn\n-0.000000 0.500000 -0.000001 Mn\n0.499999 -0.000001 0.000001 Mn\n0.000001 0.000000 0.000000 Cd\n0.488540 0.178795 0.309789 O\n0.690348 0.869123 0.178779 O\n0.821231 0.309688 0.130988 O\n0.511460 0.821202 0.690212 O\n0.690318 0.511538 0.821236 O\n0.821260 0.690269 0.511538 O\n0.868992 0.178791 0.690214 O\n0.309682 0.488461 0.178763 O\n0.178768 0.690310 0.869011 O\n0.131003 0.821208 0.309785 O\n0.178739 0.309729 0.488462 O\n0.309652 0.130877 0.821222 O\n",
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{
"id": "jvasp-112996",
"created_at": "2022-09-04T14:38:46.339025Z",
"updated_at": "2022-09-04T14:38:46.339059Z",
"structure_string": "Yb1 Fe4 Sb12\n1.0\n7.515165 0.000000 -2.657012\n-3.757583 6.508324 -2.657012\n0.000000 0.000000 7.971037\nYb Fe Sb\n1 4 12\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Fe\n0.500000 -0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n-0.000000 -0.000000 0.500000 Fe\n0.494653 0.161521 0.333131 Sb\n0.505348 0.838478 0.666870 Sb\n0.333131 0.171611 0.838479 Sb\n0.666869 0.828389 0.161522 Sb\n0.333131 0.494652 0.161522 Sb\n0.838479 0.333131 0.171611 Sb\n0.171611 0.838478 0.333131 Sb\n0.161522 0.666869 0.828390 Sb\n0.161522 0.333131 0.494653 Sb\n0.838479 0.666869 0.505348 Sb\n0.666869 0.505347 0.838479 Sb\n0.828390 0.161521 0.666870 Sb\n",
"nsites": 17,
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"elements": [
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"density": 7.911608014550012,
"density_atomic": 0.043604008043245296,
"volume": 389.87241684617277,
"volume_molar": 13.81097983934734,
"formula_full": "Yb1 Fe4 Sb12",
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"formula_anonymous": "AB4C12",
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"spacegroup": 204
},
{
"id": "jvasp-113127",
"created_at": "2022-09-04T14:38:46.530465Z",
"updated_at": "2022-09-04T14:38:46.530492Z",
"structure_string": "Mg1 Ta4 O12\n1.0\n6.437067 0.000849 -2.276030\n-3.218615 5.575125 -2.274238\n0.000124 -0.001764 6.827584\nMg Ta O\n1 4 12\ndirect\n0.999996 -0.000002 -0.000001 Mg\n1.000000 0.500000 -0.000000 Ta\n-0.000001 -0.000001 0.500000 Ta\n0.500001 0.500003 0.500000 Ta\n0.500000 -0.000001 -0.000001 Ta\n0.763985 0.517293 0.753308 O\n0.753308 0.236010 0.989317 O\n0.482735 0.246706 0.236029 O\n0.753296 0.763977 0.517270 O\n0.246710 0.236025 0.482733 O\n0.246691 0.763991 0.010680 O\n0.989327 0.753315 0.236012 O\n0.236017 0.482707 0.246691 O\n0.010671 0.246686 0.763986 O\n0.236019 0.989326 0.753310 O\n0.517274 0.753300 0.763974 O\n0.763984 0.010678 0.246694 O\n",
"nsites": 17,
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"elements": [
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"Ta",
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"density": 6.371494988670607,
"density_atomic": 0.06938603181593114,
"volume": 245.00608487163512,
"volume_molar": 8.679183118549961,
"formula_full": "Mg1 Ta4 O12",
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"formula_anonymous": "AB4C12",
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"spacegroup": 204
},
{
"id": "jvasp-117179",
"created_at": "2022-09-04T14:38:49.684461Z",
"updated_at": "2022-09-04T14:38:49.684485Z",
"structure_string": "Rb6 Na4 Tl13\n1.0\n9.600564 -0.000000 -3.394312\n-4.800282 8.314333 -3.394312\n-0.000000 -0.000000 10.182936\nRb Na Tl\n6 4 13\ndirect\n0.830206 0.330207 0.500000 Rb\n0.169793 0.669793 0.500000 Rb\n0.330207 0.500000 0.830207 Rb\n0.669793 0.500000 0.169794 Rb\n0.500000 0.830206 0.330207 Rb\n0.500000 0.169793 0.669794 Rb\n0.500000 0.500000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.098527 0.857068 0.241457 Tl\n0.384389 0.142932 0.241457 Tl\n0.615611 0.857068 0.758543 Tl\n0.241457 0.098527 0.857069 Tl\n0.758542 0.901473 0.142932 Tl\n0.142932 0.241457 0.384389 Tl\n0.758542 0.615611 0.857069 Tl\n0.857068 0.241457 0.098527 Tl\n0.142932 0.758543 0.901474 Tl\n0.901473 0.142932 0.758543 Tl\n0.857068 0.758543 0.615611 Tl\n0.241457 0.384389 0.142932 Tl\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 23,
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"elements": [
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"Na",
"Tl"
],
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"density": 6.663500425640909,
"density_atomic": 0.028296365731669475,
"volume": 812.8252305651482,
"volume_molar": 21.282382398881637,
"formula_full": "Rb6 Na4 Tl13",
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"formula_anonymous": "A4B6C13",
"energy_above_hull": 0.0,
"spacegroup": 204
},
{
"id": "jvasp-119608",
"created_at": "2022-09-04T14:38:50.149408Z",
"updated_at": "2022-09-04T14:38:50.149438Z",
"structure_string": "Pr1 P12 Os4\n1.0\n6.672675 0.000000 -2.359147\n-3.336337 5.778706 -2.359147\n0.000000 0.000000 7.077441\nPr P Os\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Pr\n0.143190 0.356444 0.499635 P\n0.856809 0.643556 0.500364 P\n0.143190 0.643556 0.786746 P\n0.856809 0.356444 0.213253 P\n0.500365 0.856810 0.643555 P\n0.499634 0.143191 0.356444 P\n0.213253 0.856810 0.356444 P\n0.356444 0.499635 0.143190 P\n0.643555 0.500366 0.856809 P\n0.643555 0.786747 0.143190 P\n0.356444 0.213254 0.856809 P\n0.786746 0.143191 0.643555 P\n-0.000000 0.500000 -0.000000 Os\n-0.000000 -0.000000 0.500000 Os\n0.500000 -0.000000 -0.000000 Os\n0.500000 0.500000 0.500000 Os\n",
"nsites": 17,
"nelements": 3,
"elements": [
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"Os"
],
"chemical_system": "Os-P-Pr",
"density": 7.748998555586485,
"density_atomic": 0.062293408034453324,
"volume": 272.9020700006912,
"volume_molar": 9.667380466114915,
"formula_full": "Pr1 P12 Os4",
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"formula_anonymous": "AB4C12",
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{
"id": "jvasp-119072",
"created_at": "2022-09-04T14:38:50.667867Z",
"updated_at": "2022-09-04T14:38:50.667895Z",
"structure_string": "Tb1 Mn4 Cu3 O12\n1.0\n5.923928 -0.000000 -2.094425\n-2.961964 5.130272 -2.094425\n-0.000000 -0.000000 6.283275\nTb Mn Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000001 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.475476 0.177631 0.297845 O\n0.524525 0.822369 0.702155 O\n0.297845 0.120214 0.822369 O\n0.702156 0.879785 0.177632 O\n0.297845 0.475476 0.177631 O\n0.177631 0.297845 0.475476 O\n0.822370 0.297845 0.120215 O\n0.177631 0.702155 0.879786 O\n0.120215 0.822369 0.297846 O\n0.822370 0.702155 0.524525 O\n0.702155 0.524524 0.822370 O\n0.879786 0.177631 0.702155 O\n",
"nsites": 20,
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"elements": [
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"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Mn-O-Tb",
"density": 6.620235647839644,
"density_atomic": 0.10473546493163328,
"volume": 190.95728474643352,
"volume_molar": 5.749858239452118,
"formula_full": "Tb1 Mn4 Cu3 O12",
"formula_reduced": "TbMn4(CuO4)3",
"formula_anonymous": "AB3C4D12",
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"spacegroup": 204
},
{
"id": "jvasp-99024",
"created_at": "2022-09-04T14:36:21.337652Z",
"updated_at": "2022-09-04T14:36:21.337679Z",
"structure_string": "Na12 Fe4 C8 S2 O32\n1.0\n8.530676 -0.000000 4.925188\n2.843559 8.042798 4.925188\n-0.000000 -0.000000 9.850376\nNa Fe C S O\n12 4 8 2 32\ndirect\n0.908945 0.908945 0.341055 Na\n0.908945 0.341055 0.908945 Na\n0.908945 0.341055 0.341055 Na\n0.341055 0.341055 0.908945 Na\n0.341055 0.908945 0.341055 Na\n0.341055 0.908945 0.908945 Na\n0.658945 0.091055 0.091055 Na\n0.091055 0.658945 0.091055 Na\n0.091055 0.091055 0.658945 Na\n0.658945 0.658945 0.091055 Na\n0.658945 0.091055 0.658945 Na\n0.091055 0.658945 0.658945 Na\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 -0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.280545 0.280545 0.658364 C\n0.280545 0.280545 0.280545 C\n0.719455 0.719455 0.341636 C\n0.719455 0.341636 0.719455 C\n0.341636 0.719455 0.719455 C\n0.719455 0.719455 0.719455 C\n0.280545 0.658364 0.280545 C\n0.658364 0.280545 0.280545 C\n0.875000 0.875000 0.875000 S\n0.125000 0.125000 0.125000 S\n0.861701 0.339788 0.601333 O\n0.138299 0.660212 0.398667 O\n0.660212 0.138299 0.302822 O\n0.302822 0.398667 0.660212 O\n0.339789 0.697178 0.601333 O\n0.861701 0.601333 0.697178 O\n0.697178 0.861701 0.601333 O\n0.339789 0.601333 0.861701 O\n0.138299 0.302822 0.660212 O\n0.601333 0.697178 0.861701 O\n0.697178 0.339788 0.861701 O\n0.660212 0.302822 0.398667 O\n0.660212 0.398667 0.138299 O\n0.861701 0.697178 0.339789 O\n0.310499 0.063167 0.063167 O\n0.601333 0.861701 0.339789 O\n0.339789 0.861701 0.697178 O\n0.697178 0.601333 0.339789 O\n0.601333 0.339788 0.697178 O\n0.936833 0.936833 0.936833 O\n0.689502 0.936833 0.936833 O\n0.398667 0.138299 0.660212 O\n0.936833 0.936833 0.689502 O\n0.398667 0.660212 0.302822 O\n0.936833 0.689502 0.936833 O\n0.063167 0.310498 0.063167 O\n0.063167 0.063167 0.310499 O\n0.398667 0.302822 0.138299 O\n0.138299 0.398667 0.302822 O\n0.302822 0.138299 0.398667 O\n0.302823 0.660212 0.138299 O\n0.063167 0.063167 0.063167 O\n",
"nsites": 58,
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"elements": [
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"density": 2.8782650442906066,
"density_atomic": 0.0858192226674827,
"volume": 675.8392606832184,
"volume_molar": 7.017239929256338,
"formula_full": "Na12 Fe4 C8 S2 O32",
"formula_reduced": "Na6Fe2C4SO16",
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},
{
"id": "jvasp-27812",
"created_at": "2022-09-04T14:37:10.660807Z",
"updated_at": "2022-09-04T14:37:10.660823Z",
"structure_string": "Rb6 As2 Se32\n1.0\n10.254503 0.000000 5.920440\n3.418168 9.668038 5.920440\n0.000000 0.000000 11.840880\nRb As Se\n6 2 32\ndirect\n-0.000000 -0.000000 0.500000 Rb\n0.000000 0.500000 -0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.625000 0.625000 0.625000 Rb\n0.375000 0.375000 0.375000 Rb\n0.500000 -0.000000 0.000000 Rb\n0.125000 0.125000 0.125000 As\n0.875000 0.875000 0.875000 As\n0.468331 0.053611 0.303582 Se\n0.053611 0.468331 0.674476 Se\n0.674476 0.468331 0.303582 Se\n0.674476 0.053611 0.468331 Se\n0.468331 0.303582 0.674476 Se\n0.303582 0.468331 0.053611 Se\n0.468331 0.674476 0.053611 Se\n0.303582 0.053611 0.674476 Se\n0.053611 0.674476 0.303582 Se\n0.674476 0.303582 0.053611 Se\n0.696418 0.325524 0.531669 Se\n0.531669 0.946389 0.696418 Se\n0.946389 0.531669 0.325524 Se\n0.325524 0.531669 0.696418 Se\n0.303582 0.674476 0.468331 Se\n0.325524 0.946389 0.531669 Se\n0.531669 0.696418 0.325524 Se\n0.696418 0.531669 0.946389 Se\n0.053611 0.303582 0.468331 Se\n0.696418 0.946389 0.325524 Se\n0.946389 0.325524 0.696418 Se\n0.325524 0.696418 0.946389 Se\n0.793281 0.793281 0.793281 Se\n0.120157 0.793281 0.793281 Se\n0.793281 0.793281 0.120156 Se\n0.793281 0.120156 0.793281 Se\n0.206719 0.206719 0.206719 Se\n0.879844 0.206719 0.206719 Se\n0.206719 0.206719 0.879845 Se\n0.206719 0.879845 0.206719 Se\n0.946389 0.696418 0.531669 Se\n0.531669 0.325524 0.946389 Se\n",
"nsites": 40,
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"elements": [
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],
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"density": 4.511459440430067,
"density_atomic": 0.03407399429064625,
"volume": 1173.9157921670637,
"volume_molar": 17.673715352042407,
"formula_full": "Rb6 As2 Se32",
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"formula_anonymous": "AB3C16",
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"spacegroup": 203
},
{
"id": "jvasp-21448",
"created_at": "2022-09-04T14:37:31.567832Z",
"updated_at": "2022-09-04T14:37:31.567855Z",
"structure_string": "Na12 Mg4 C8 S2 O32\n1.0\n8.522503 -0.000000 4.920470\n2.840835 8.035093 4.920470\n-0.000000 -0.000000 9.840938\nNa Mg C S O\n12 4 8 2 32\ndirect\n0.907484 0.342515 0.342516 Na\n0.092515 0.657484 0.092516 Na\n0.092515 0.092515 0.657485 Na\n0.657484 0.657484 0.092516 Na\n0.657484 0.092515 0.657485 Na\n0.092515 0.657484 0.657485 Na\n0.342515 0.907484 0.907485 Na\n0.907484 0.342515 0.907485 Na\n0.657484 0.092515 0.092516 Na\n0.342515 0.907484 0.342516 Na\n0.342515 0.342515 0.907485 Na\n0.907484 0.907484 0.342516 Na\n0.500000 0.500000 0.500000 Mg\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.718052 0.345843 0.718053 C\n0.345842 0.718052 0.718053 C\n0.718052 0.718052 0.718053 C\n0.281947 0.654157 0.281948 C\n0.281947 0.281947 0.654158 C\n0.654157 0.281947 0.281948 C\n0.281947 0.281947 0.281948 C\n0.718052 0.718052 0.345843 C\n0.874999 0.875000 0.875001 S\n0.125000 0.125000 0.125000 S\n0.309386 0.396917 0.138115 O\n0.936912 0.936912 0.689263 O\n0.063087 0.310737 0.063088 O\n0.063087 0.063087 0.310738 O\n0.936912 0.936912 0.936913 O\n0.689262 0.936912 0.936913 O\n0.936912 0.689262 0.936913 O\n0.310737 0.063087 0.063088 O\n0.063087 0.063087 0.063088 O\n0.603082 0.690613 0.344420 O\n0.344419 0.861885 0.603083 O\n0.861885 0.344419 0.690614 O\n0.690613 0.344419 0.603083 O\n0.690613 0.861885 0.344420 O\n0.861885 0.603082 0.344420 O\n0.344419 0.603082 0.690614 O\n0.603082 0.344419 0.861885 O\n0.861884 0.690613 0.603083 O\n0.690613 0.603082 0.861886 O\n0.396917 0.309386 0.655581 O\n0.655581 0.138115 0.396918 O\n0.138115 0.655581 0.309387 O\n0.309386 0.655581 0.396918 O\n0.309386 0.138115 0.655581 O\n0.138115 0.396917 0.655581 O\n0.655581 0.396917 0.309387 O\n0.396917 0.655581 0.138115 O\n0.655581 0.309386 0.138115 O\n0.344419 0.690613 0.861886 O\n0.138115 0.309386 0.396918 O\n0.603082 0.861885 0.690614 O\n0.396917 0.138115 0.309387 O\n",
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"formula_full": "Na12 Mg4 C8 S2 O32",
"formula_reduced": "Na6Mg2C4SO16",
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},
{
"id": "jvasp-25548",
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