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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4449",
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"results": [
{
"id": "jvasp-97314",
"created_at": "2022-09-04T14:35:46.291505Z",
"updated_at": "2022-09-04T14:35:46.291532Z",
"structure_string": "Li2 Sc2 P4 O14\n1.0\n4.932943 -0.045526 0.000000\n-2.424768 6.673342 0.000000\n0.000000 0.000000 8.373817\nLi Sc P O\n2 2 4 14\ndirect\n0.813368 0.334109 0.358166 Li\n0.186630 0.665891 0.858167 Li\n0.779280 0.265577 0.000628 Sc\n0.220719 0.734423 0.500628 Sc\n0.593497 0.469178 0.679260 P\n0.193074 0.074637 0.786210 P\n0.806925 0.925362 0.286210 P\n0.406501 0.530821 0.179260 P\n0.388037 0.236136 0.656509 O\n0.925528 0.125550 0.821443 O\n0.373508 0.082012 0.936077 O\n0.242262 0.514330 0.337249 O\n0.626490 0.917987 0.436077 O\n0.757737 0.485670 0.837249 O\n0.074471 0.874449 0.321443 O\n0.128351 0.872685 0.701712 O\n0.871647 0.127314 0.201712 O\n0.397650 0.594839 0.680935 O\n0.203916 0.491286 0.034813 O\n0.796083 0.508713 0.534813 O\n0.611962 0.763863 0.156509 O\n0.602349 0.405160 0.180935 O\n",
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{
"id": "jvasp-43820",
"created_at": "2022-09-04T14:35:46.804520Z",
"updated_at": "2022-09-04T14:35:46.804541Z",
"structure_string": "Li4 Cr2 P4 O14\n1.0\n5.189651 0.272618 -0.000421\n2.956518 6.542254 -0.000159\n0.000733 -0.000057 8.322453\nLi Cr P O\n4 2 4 14\ndirect\n0.226462 0.059742 0.150862 Li\n0.494308 0.317707 0.371084 Li\n0.505691 0.682293 0.871084 Li\n0.773538 0.940257 0.650865 Li\n0.510404 0.288930 0.001577 Cr\n0.489595 0.711070 0.501577 Cr\n0.102915 0.074200 0.784423 P\n0.118258 0.486415 0.691476 P\n0.881741 0.513585 0.191478 P\n0.897086 0.925798 0.284424 P\n0.696042 0.996427 0.429166 O\n0.857335 0.746074 0.189965 O\n0.790889 0.647002 0.686422 O\n0.749893 0.484959 0.348798 O\n0.721891 0.507532 0.041417 O\n0.278101 0.492473 0.541410 O\n0.807038 0.105180 0.162214 O\n0.209108 0.352997 0.186422 O\n0.142668 0.253925 0.689962 O\n0.303959 0.003569 0.929164 O\n0.192965 0.894816 0.662215 O\n0.780195 0.148162 0.814544 O\n0.250111 0.515036 0.848794 O\n0.219805 0.851838 0.314543 O\n",
"nsites": 24,
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"elements": [
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],
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"density_atomic": 0.08700186550498733,
"volume": 275.8561538961968,
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"formula_full": "Li4 Cr2 P4 O14",
"formula_reduced": "Li2CrP2O7",
"formula_anonymous": "AB2C2D7",
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},
{
"id": "jvasp-44285",
"created_at": "2022-09-04T14:35:47.502512Z",
"updated_at": "2022-09-04T14:35:47.502530Z",
"structure_string": "Fe6 O8 F4\n1.0\n0.000000 5.433150 0.027037\n4.376379 0.000000 0.000000\n0.000000 -0.458356 -7.350193\nFe O F\n6 8 4\ndirect\n0.228411 0.484856 0.501385 Fe\n0.567119 0.542267 0.840508 Fe\n0.908096 0.493409 0.185014 Fe\n0.771588 0.984856 0.498614 Fe\n0.432880 0.042267 0.159491 Fe\n0.091903 0.993409 0.814985 Fe\n0.793653 0.796067 0.726429 O\n0.279229 0.708214 0.711460 O\n0.632459 0.708119 0.074220 O\n0.970919 0.709010 0.392973 O\n0.367541 0.208119 0.925779 O\n0.029080 0.209010 0.607026 O\n0.720770 0.208214 0.288539 O\n0.206346 0.296067 0.273570 O\n0.118902 0.778668 0.054073 F\n0.881097 0.278667 0.945926 F\n0.534706 0.279390 0.601628 F\n0.465294 0.779390 0.398371 F\n",
"nsites": 18,
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"elements": [
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"density_atomic": 0.10302483628419278,
"volume": 174.71515266811215,
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"formula_full": "Fe6 O8 F4",
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{
"id": "jvasp-97461",
"created_at": "2022-09-04T14:35:47.691477Z",
"updated_at": "2022-09-04T14:35:47.691496Z",
"structure_string": "Mn4 I8 O24\n1.0\n4.896125 0.000000 0.000000\n0.000000 9.690136 -5.612968\n0.000000 -0.032106 11.178680\nMn I O\n4 8 24\ndirect\n0.310518 0.509661 0.755405 Mn\n0.810519 0.490339 0.244595 Mn\n0.810454 0.990334 0.244567 Mn\n0.310453 0.009666 0.755432 Mn\n0.245569 0.667879 0.099359 I\n0.245613 0.167879 0.099378 I\n0.255407 0.664367 0.568529 I\n0.255346 0.164354 0.568547 I\n0.745570 0.332121 0.900640 I\n0.755346 0.835646 0.431453 I\n0.755407 0.335633 0.431471 I\n0.745614 0.832121 0.900622 I\n0.093657 0.643904 0.935808 O\n0.033207 0.318139 0.224456 O\n0.049813 0.028995 0.107245 O\n0.071593 0.049430 0.617756 O\n0.049801 0.528979 0.107207 O\n0.081728 0.827594 0.697702 O\n0.033846 0.632390 0.419638 O\n0.549801 0.471021 0.892793 O\n0.581733 0.672394 0.302297 O\n0.533773 0.867648 0.580349 O\n0.093630 0.143903 0.935840 O\n0.533089 0.181887 0.775585 O\n0.533207 0.681861 0.775543 O\n0.571594 0.950570 0.382244 O\n0.071727 0.549396 0.617702 O\n0.533846 0.367610 0.580362 O\n0.081732 0.327606 0.697702 O\n0.549814 0.971005 0.892755 O\n0.593657 0.356096 0.064192 O\n0.571728 0.450604 0.382298 O\n0.033773 0.132352 0.419651 O\n0.593631 0.856097 0.064160 O\n0.581729 0.172406 0.302298 O\n0.033089 0.818113 0.224415 O\n",
"nsites": 36,
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"elements": [
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],
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"volume": 529.480272756117,
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"formula_full": "Mn4 I8 O24",
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"formula_anonymous": "AB2C6",
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"spacegroup": 4
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{
"id": "jvasp-86612",
"created_at": "2022-09-04T14:35:49.811470Z",
"updated_at": "2022-09-04T14:35:49.811490Z",
"structure_string": "K2 Eu2 Si2 S8\n1.0\n6.140350 0.000000 -1.971849\n0.000000 6.613007 0.000000\n-0.016881 0.000000 8.535073\nK Eu Si S\n2 2 2 8\ndirect\n0.772428 0.693716 0.065826 K\n0.227572 0.193716 0.934173 K\n0.270637 0.210634 0.448853 Eu\n0.729363 0.710634 0.551147 Eu\n0.282915 0.677881 0.681715 Si\n0.717086 0.177881 0.318284 Si\n0.914347 0.129307 0.567649 S\n0.087257 0.677758 0.839353 S\n0.477559 0.942542 0.272043 S\n0.518731 0.443733 0.288529 S\n0.085653 0.629308 0.432350 S\n0.481270 0.943733 0.711470 S\n0.912743 0.177758 0.160646 S\n0.522441 0.442541 0.727957 S\n",
"nsites": 14,
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"elements": [
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],
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"density_atomic": 0.0404207728820024,
"volume": 346.35656376163917,
"volume_molar": 14.898628429446473,
"formula_full": "K2 Eu2 Si2 S8",
"formula_reduced": "KEuSiS4",
"formula_anonymous": "ABCD4",
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"spacegroup": 4
},
{
"id": "jvasp-48169",
"created_at": "2022-09-04T14:35:52.713774Z",
"updated_at": "2022-09-04T14:35:52.713795Z",
"structure_string": "Li10 Mn2 O6 F2\n1.0\n4.648536 -0.012560 0.028702\n0.017971 6.592391 -0.009206\n0.073358 0.008885 6.560810\nLi Mn O F\n10 2 6 2\ndirect\n0.965431 0.307699 0.249279 Li\n0.985069 0.725394 0.675283 Li\n0.957787 0.006901 0.473796 Li\n0.467631 0.045402 0.470648 Li\n0.514926 0.225380 0.774727 Li\n0.479204 0.801559 0.748498 Li\n0.534557 0.807694 0.200721 Li\n0.542218 0.506902 0.976194 Li\n0.032374 0.545412 0.979355 Li\n0.020793 0.301565 0.701495 Li\n0.965819 0.012154 0.965540 Mn\n0.534185 0.512153 0.484460 Mn\n0.812877 0.292837 0.973091 O\n0.745099 0.255215 0.494042 O\n0.754919 0.755222 0.955953 O\n0.281668 0.523023 0.741371 O\n0.687117 0.792829 0.476906 O\n0.218330 0.023017 0.708633 O\n0.275944 0.529816 0.204509 F\n0.224066 0.029811 0.245489 F\n",
"nsites": 20,
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"elements": [
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{
"id": "jvasp-48697",
"created_at": "2022-09-04T14:35:53.404642Z",
"updated_at": "2022-09-04T14:35:53.404662Z",
"structure_string": "Mn6 O8 F4\n1.0\n0.000000 5.473527 0.011785\n4.538518 0.000000 0.000000\n0.000000 -0.430945 -7.566175\nMn O F\n6 8 4\ndirect\n0.568421 0.532065 0.842404 Mn\n0.231356 0.491284 0.497194 Mn\n0.906650 0.492597 0.181271 Mn\n0.768643 0.991284 0.502806 Mn\n0.431578 0.032065 0.157596 Mn\n0.093349 0.992597 0.818729 Mn\n0.788610 0.805322 0.732624 O\n0.281630 0.692870 0.722465 O\n0.622312 0.696326 0.073225 O\n0.953035 0.692591 0.399656 O\n0.377688 0.196325 0.926775 O\n0.046964 0.192591 0.600344 O\n0.718369 0.192870 0.277535 O\n0.211389 0.305322 0.267376 O\n0.453563 0.802117 0.402309 F\n0.885845 0.294831 0.937351 F\n0.546437 0.302117 0.597691 F\n0.114155 0.794831 0.062649 F\n",
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"formula_full": "Mn6 O8 F4",
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{
"id": "jvasp-43824",
"created_at": "2022-09-04T14:35:53.711749Z",
"updated_at": "2022-09-04T14:35:53.711783Z",
"structure_string": "Mn6 O10 F2\n1.0\n0.000000 5.380850 0.029294\n4.499607 0.000000 0.000000\n0.000000 -0.507159 -7.384409\nMn O F\n6 10 2\ndirect\n0.074664 0.477215 0.835276 Mn\n0.408575 0.512863 0.163363 Mn\n0.748483 0.514416 0.511482 Mn\n0.591425 0.012863 0.836638 Mn\n0.251517 0.014416 0.488519 Mn\n0.925336 0.977215 0.164724 Mn\n0.622390 0.805943 0.066275 O\n0.955173 0.802752 0.397662 O\n0.120372 0.694377 0.059740 O\n0.453747 0.695665 0.398757 O\n0.786207 0.695553 0.735770 O\n0.213793 0.195553 0.264231 O\n0.377610 0.305943 0.933726 O\n0.879628 0.194377 0.940261 O\n0.546253 0.195665 0.601244 O\n0.044827 0.302751 0.602339 O\n0.718939 0.301219 0.269286 F\n0.281061 0.801219 0.730715 F\n",
"nsites": 18,
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"density": 4.902197317017942,
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"volume": 178.7223222541704,
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"formula_full": "Mn6 O10 F2",
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{
"id": "jvasp-98724",
"created_at": "2022-09-04T14:35:53.893408Z",
"updated_at": "2022-09-04T14:35:53.893426Z",
"structure_string": "Sr4 Al8 O16\n1.0\n5.198974 -0.028777 0.000000\n-0.476641 8.435872 0.000000\n0.000000 0.000000 8.844022\nSr Al O\n4 8 16\ndirect\n0.251662 0.490616 0.000505 Sr\n0.198398 0.031311 0.992940 Sr\n0.801601 0.968688 0.492940 Sr\n0.748337 0.509384 0.500505 Sr\n0.709583 0.190528 0.829763 Al\n0.290416 0.809472 0.329763 Al\n0.729122 0.799672 0.837606 Al\n0.270877 0.200327 0.337606 Al\n0.222155 0.709572 0.667256 Al\n0.777844 0.290427 0.167256 Al\n0.802516 0.679030 0.169490 Al\n0.197484 0.320969 0.669490 Al\n0.405949 0.269096 0.815584 O\n0.594050 0.730903 0.315584 O\n0.356838 0.008470 0.387988 O\n0.340525 0.331290 0.488991 O\n0.659474 0.668709 0.988991 O\n0.898712 0.268611 0.981857 O\n0.101287 0.731389 0.481857 O\n0.938330 0.166949 0.291535 O\n0.061670 0.833050 0.791534 O\n0.898067 0.207201 0.662723 O\n0.101932 0.792798 0.162723 O\n0.885630 0.485427 0.219727 O\n0.114369 0.514573 0.719726 O\n0.643161 0.991529 0.887988 O\n0.436716 0.264231 0.169834 O\n0.563283 0.735768 0.669833 O\n",
"nsites": 28,
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"elements": [
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"Al",
"O"
],
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"density": 3.5215169591418913,
"density_atomic": 0.07220984860539142,
"volume": 387.7587412350485,
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"formula_full": "Sr4 Al8 O16",
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"formula_anonymous": "AB2C4",
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"spacegroup": 4
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{
"id": "jvasp-98784",
"created_at": "2022-09-04T14:35:54.300910Z",
"updated_at": "2022-09-04T14:35:54.300930Z",
"structure_string": "Pr6 Si4 Cl6 O14\n1.0\n5.328621 -0.085728 0.000000\n-2.687042 7.502149 0.000000\n0.000000 0.000000 12.144017\nPr Si Cl O\n6 4 6 14\ndirect\n0.325499 0.530769 0.895847 Pr\n0.610651 0.081594 0.877086 Pr\n0.389349 0.918406 0.377086 Pr\n0.144089 0.202719 0.620049 Pr\n0.855911 0.797281 0.120049 Pr\n0.674501 0.469231 0.395847 Pr\n0.930870 0.818641 0.822855 Si\n0.276708 0.563662 0.210507 Si\n0.069130 0.181358 0.322855 Si\n0.723293 0.436338 0.710508 Si\n0.127167 0.168139 0.993436 Cl\n0.787413 0.442771 0.996652 Cl\n0.481569 0.992311 0.619032 Cl\n0.872833 0.831861 0.493436 Cl\n0.212587 0.557228 0.496652 Cl\n0.518431 0.007689 0.119031 Cl\n0.219020 0.807720 0.859990 O\n0.724404 0.804704 0.927114 O\n0.750990 0.639990 0.750447 O\n0.022032 0.619124 0.248593 O\n0.249010 0.360009 0.250446 O\n0.457758 0.306445 0.780132 O\n0.542243 0.693555 0.280132 O\n0.780980 0.192279 0.359990 O\n0.977968 0.380875 0.748594 O\n0.275596 0.195296 0.427114 O\n0.370443 0.599417 0.083846 O\n0.941796 0.001983 0.762437 O\n0.058204 -0.001983 0.262437 O\n0.629557 0.400582 0.583846 O\n",
"nsites": 30,
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"elements": [
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],
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"density": 4.797486166080255,
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"volume": 482.6731118889268,
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"formula_full": "Pr6 Si4 Cl6 O14",
"formula_reduced": "Pr3Si2Cl3O7",
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{
"id": "jvasp-42270",
"created_at": "2022-09-04T14:35:54.489921Z",
"updated_at": "2022-09-04T14:35:54.489947Z",
"structure_string": "Fe8 O8 F8\n1.0\n0.000000 4.596342 -0.020383\n4.574081 0.000000 0.000000\n0.000000 0.036601 -11.891811\nFe O F\n8 8 8\ndirect\n0.294548 0.010577 0.314531 Fe\n0.220324 0.949975 0.060488 Fe\n0.279157 0.013248 0.811564 Fe\n0.282931 0.016101 0.558823 Fe\n0.779675 0.449976 0.939512 Fe\n0.717068 0.516101 0.441177 Fe\n0.720842 0.513248 0.188436 Fe\n0.705451 0.510577 0.685469 Fe\n0.065142 0.168693 0.937423 O\n0.934857 0.668692 0.062577 O\n0.557576 0.333488 0.319468 O\n0.541813 0.315359 0.556457 O\n0.572754 0.290563 0.815192 O\n0.458186 0.815359 0.443543 O\n0.442424 0.833488 0.680532 O\n0.427245 0.790563 0.184808 O\n0.473661 0.754215 0.935849 F\n0.526338 0.254216 0.064151 F\n0.973100 0.707331 0.807164 F\n0.955427 0.720036 0.560430 F\n0.946584 0.720414 0.323114 F\n0.053416 0.220414 0.676886 F\n0.044572 0.220036 0.439570 F\n0.026899 0.207331 0.192836 F\n",
"nsites": 24,
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"elements": [
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],
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"volume": 250.01050497160642,
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"formula_full": "Fe8 O8 F8",
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},
{
"id": "jvasp-62267",
"created_at": "2022-09-04T14:35:54.677720Z",
"updated_at": "2022-09-04T14:35:54.677739Z",
"structure_string": "Tl4 Zn4 As4 O16\n1.0\n0.000000 9.023057 0.027936\n5.683180 0.000000 0.000000\n0.000000 -0.155789 -8.974342\nTl Zn As O\n4 4 4 16\ndirect\n0.997813 0.988821 0.183690 Tl\n0.002187 0.488821 0.816310 Tl\n0.502305 0.003831 0.326000 Tl\n0.497695 0.503831 0.673999 Tl\n0.178385 0.004755 0.598404 Zn\n0.821616 0.504755 0.401596 Zn\n0.671578 0.963409 0.925167 Zn\n0.328423 0.463409 0.074832 Zn\n0.690250 0.466485 0.065635 As\n0.309750 0.966485 0.934365 As\n0.186634 0.502415 0.399805 As\n0.813366 0.002415 0.600194 As\n0.779896 0.298866 0.571912 O\n0.220104 0.798866 0.428088 O\n0.788647 0.244168 0.981798 O\n0.211353 0.744168 0.018201 O\n0.676070 0.894449 0.712347 O\n0.323930 0.394449 0.287652 O\n0.198048 0.349752 0.566025 O\n0.982770 0.964140 0.688982 O\n0.787434 0.722966 0.038822 O\n0.212566 0.222966 0.961177 O\n0.520380 0.495038 0.974626 O\n0.479621 0.995038 0.025374 O\n0.668259 0.409205 0.252213 O\n0.017230 0.464140 0.311017 O\n0.801952 0.849752 0.433974 O\n0.331741 0.909205 0.747786 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Tl",
"Zn",
"As",
"O"
],
"chemical_system": "As-O-Tl-Zn",
"density": 5.899314647918037,
"density_atomic": 0.060846225874972015,
"volume": 460.17644640005994,
"volume_molar": 9.897311909491986,
"formula_full": "Tl4 Zn4 As4 O16",
"formula_reduced": "TlZnAsO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.3932498214285718,
"spacegroup": 4
}
]
}