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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=8",
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"results": [
{
"id": "jvasp-44010",
"created_at": "2022-09-04T14:36:03.926082Z",
"updated_at": "2022-09-04T14:36:03.926106Z",
"structure_string": "Fe6 O7 F5\n1.0\n5.481296 -0.020714 0.048144\n1.843838 5.157143 0.037573\n2.594326 1.818312 6.663251\nFe O F\n6 7 5\ndirect\n0.317081 0.326290 0.145117 Fe\n0.650576 0.664007 0.345672 Fe\n0.372972 0.322855 0.680592 Fe\n0.644667 0.659798 0.832131 Fe\n0.005620 0.017894 0.493742 Fe\n-0.000381 0.015496 0.001152 Fe\n0.682435 0.307584 0.001967 O\n0.303220 0.692297 -0.001129 O\n0.969109 0.363294 0.328208 O\n0.575263 0.573126 0.639113 O\n0.230583 0.236203 0.965939 O\n0.356441 0.977714 0.330180 O\n0.656831 0.016014 0.668176 O\n0.420328 0.430086 0.372265 F\n0.036642 0.634679 0.667570 F\n0.112479 0.105771 0.696468 F\n0.764005 0.763609 0.030292 F\n0.902146 0.893288 0.302534 F\n",
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"elements": [
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],
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"density": 4.7941617526519735,
"density_atomic": 0.09587171129210377,
"volume": 187.75089916938327,
"volume_molar": 6.281457458969962,
"formula_full": "Fe6 O7 F5",
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"formula_anonymous": "A5B6C7",
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{
"id": "jvasp-92265",
"created_at": "2022-09-04T14:36:03.981944Z",
"updated_at": "2022-09-04T14:36:03.981970Z",
"structure_string": "H1 Pb1 I3\n1.0\n-2.407519 0.718790 3.507713\n-6.144052 -0.929910 1.167293\n-0.390924 -8.910660 1.864487\nH Pb I\n1 1 3\ndirect\n0.236188 -0.067067 -0.060154 H\n0.491065 0.487032 0.460161 Pb\n0.089634 0.359378 0.723345 I\n0.255779 0.668478 0.037076 I\n0.407382 0.058914 0.330333 I\n",
"nsites": 5,
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"density_atomic": 0.028121104495096562,
"volume": 177.80240462716688,
"volume_molar": 21.415022162625483,
"formula_full": "H1 Pb1 I3",
"formula_reduced": "HPbI3",
"formula_anonymous": "ABC3",
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"spacegroup": 1
},
{
"id": "jvasp-48260",
"created_at": "2022-09-04T14:36:04.230958Z",
"updated_at": "2022-09-04T14:36:04.230976Z",
"structure_string": "Li3 Fe4 O8\n1.0\n5.110720 0.031780 -0.004341\n0.031841 5.418892 -0.006249\n-0.009101 -0.021715 6.435840\nLi Fe O\n3 4 8\ndirect\n0.498028 0.415571 0.122772 Li\n-0.001414 0.581845 0.878329 Li\n0.499747 0.916465 0.373896 Li\n0.003457 0.081060 0.127930 Fe\n0.502207 0.415380 0.623616 Fe\n0.996764 0.585232 0.372621 Fe\n0.504959 0.915994 0.872158 Fe\n0.366819 0.067286 0.107655 O\n0.418468 0.090071 0.631035 O\n0.891147 0.406517 0.140261 O\n0.853316 0.468780 0.621189 O\n0.371839 0.566470 0.383311 O\n0.385089 0.585620 0.865175 O\n0.887878 0.901214 0.344678 O\n0.853138 0.920471 0.909412 O\n",
"nsites": 15,
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"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 3.4677167186776248,
"density_atomic": 0.08416111981290636,
"volume": 178.22956768333904,
"volume_molar": 7.155490294553433,
"formula_full": "Li3 Fe4 O8",
"formula_reduced": "Li3(FeO2)4",
"formula_anonymous": "A3B4C8",
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"spacegroup": 1
},
{
"id": "jvasp-98303",
"created_at": "2022-09-04T14:36:04.924893Z",
"updated_at": "2022-09-04T14:36:04.924924Z",
"structure_string": "Sr2 H32 O20\n1.0\n6.187161 -0.016889 0.193262\n-0.015290 6.194082 0.167158\n0.337617 0.296977 11.087047\nSr H O\n2 32 20\ndirect\n-0.017523 -0.023593 0.496769 Sr\n0.039684 0.025512 0.011867 Sr\n-0.010859 0.413968 0.623839 H\n0.228952 0.333006 0.632494 H\n0.345608 0.682633 0.619171 H\n0.234902 0.811511 0.725383 H\n0.509708 -0.019159 0.633941 H\n0.584600 0.224132 0.628128 H\n0.304739 0.626383 0.104196 H\n0.747137 0.403487 0.104539 H\n0.805272 0.267250 0.223806 H\n0.581024 0.965646 0.153525 H\n0.636524 0.734088 0.102125 H\n0.277254 0.212804 0.227535 H\n0.412246 0.291624 0.106343 H\n0.675591 0.568747 0.619474 H\n0.831130 0.676390 0.713451 H\n0.065896 0.564479 0.155701 H\n0.719911 0.976997 0.777700 H\n0.670127 0.773638 0.878869 H\n0.041358 0.435937 0.354699 H\n0.269414 0.376630 0.407324 H\n0.797230 0.735328 0.283177 H\n0.604217 0.265462 0.405006 H\n0.559720 0.035863 0.353616 H\n0.270182 0.791802 0.286419 H\n0.709818 0.599913 0.402537 H\n0.380467 0.706028 0.405023 H\n0.977610 0.317742 0.795104 H\n0.785549 0.420800 0.884633 H\n0.091018 0.594677 0.877915 H\n0.336855 0.657642 0.888739 H\n0.496090 0.073983 0.885093 H\n0.432112 0.316922 0.889287 H\n0.368438 0.168454 0.883506 O\n0.170840 0.686953 0.147009 O\n0.643194 0.072424 0.637179 O\n0.279640 0.828817 0.636786 O\n0.074170 0.280909 0.642768 O\n0.828235 0.637921 0.629246 O\n0.748624 0.918179 0.860858 O\n0.871735 0.331679 0.146126 O\n0.189642 0.723743 0.873249 O\n0.558698 0.544124 0.914290 O\n0.319015 0.840338 0.364450 O\n0.678000 0.140924 0.363054 O\n0.844006 0.672214 0.361664 O\n0.141907 0.313595 0.366795 O\n0.537524 0.525612 0.050385 O\n0.469709 0.459427 0.594100 O\n0.485804 0.475733 0.458022 O\n0.701566 0.862344 0.142358 O\n0.939469 0.363765 0.878414 O\n0.342791 0.160419 0.150577 O\n",
"nsites": 54,
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"elements": [
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"H",
"O"
],
"chemical_system": "H-O-Sr",
"density": 2.064928390090464,
"density_atomic": 0.12730397005185198,
"volume": 424.1815866229886,
"volume_molar": 4.730520782303278,
"formula_full": "Sr2 H32 O20",
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"formula_anonymous": "AB10C16",
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"spacegroup": 1
},
{
"id": "jvasp-42274",
"created_at": "2022-09-04T14:36:05.005088Z",
"updated_at": "2022-09-04T14:36:05.005127Z",
"structure_string": "Mn6 O7 F5\n1.0\n4.510948 -0.032138 0.021003\n0.093849 5.536749 0.018130\n0.096403 0.526605 7.604279\nMn O F\n6 7 5\ndirect\n0.495614 0.498624 0.998559 Mn\n0.514740 0.826548 0.648711 Mn\n0.505647 0.182859 0.357224 Mn\n0.000822 0.337487 0.675441 Mn\n0.973652 0.646780 0.315776 Mn\n0.008045 0.003247 0.004222 Mn\n0.195699 0.288722 0.902996 O\n0.303801 0.453120 0.228958 O\n0.301802 0.124176 0.567503 O\n0.688661 0.544796 0.768927 O\n0.801154 0.711279 0.094904 O\n0.798270 0.375291 0.445812 O\n0.714912 0.879081 0.433586 O\n0.205907 0.635156 0.544314 F\n0.769078 0.036915 0.780899 F\n0.720542 0.195643 0.127382 F\n0.271720 0.802828 0.869778 F\n0.229934 0.957438 0.235006 F\n",
"nsites": 18,
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"elements": [
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"chemical_system": "F-Mn-O",
"density": 4.692470124503262,
"density_atomic": 0.09478971918280166,
"volume": 189.8940112406817,
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"formula_full": "Mn6 O7 F5",
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"formula_anonymous": "A5B6C7",
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},
{
"id": "jvasp-43565",
"created_at": "2022-09-04T14:36:05.335332Z",
"updated_at": "2022-09-04T14:36:05.335358Z",
"structure_string": "Li3 V2 P4 H2 O16\n1.0\n4.845402 -0.008293 -0.009861\n1.893135 7.216016 -0.030518\n0.058206 0.043004 7.938686\nLi V P H O\n3 2 4 2 16\ndirect\n0.385509 0.155367 0.867038 Li\n0.607273 0.842388 0.131588 Li\n0.897055 0.647118 0.627867 Li\n0.493317 0.006984 0.501545 V\n0.002657 0.496606 0.003295 V\n0.634501 0.239818 0.160108 P\n0.869265 0.265518 0.654031 P\n0.130873 0.738150 0.345670 P\n0.371217 0.763920 0.845919 P\n0.466805 0.510423 0.491001 H\n0.974319 0.012111 0.011489 H\n0.651670 0.145392 0.680398 O\n0.848548 0.358453 0.172518 O\n0.741111 0.446362 0.563700 O\n0.623754 0.651756 0.953795 O\n0.485909 0.808134 0.673077 O\n0.762403 0.052760 0.061248 O\n0.350161 0.855114 0.321781 O\n0.149797 0.647091 0.825185 O\n0.543526 0.184338 0.332202 O\n0.378949 0.338110 0.049370 O\n0.254104 0.557898 0.447336 O\n0.987348 0.307802 0.827224 O\n0.020998 0.690322 0.174435 O\n0.127168 0.142515 0.555168 O\n0.251777 0.945296 0.943079 O\n0.874423 0.845558 0.452903 O\n",
"nsites": 27,
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"elements": [
"Li",
"V",
"P",
"H",
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],
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"density": 3.017286650714753,
"density_atomic": 0.09722494024385603,
"volume": 277.70652193027416,
"volume_molar": 6.194028759385696,
"formula_full": "Li3 V2 P4 H2 O16",
"formula_reduced": "Li3V2P4(HO8)2",
"formula_anonymous": "A2B2C3D4E16",
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"spacegroup": 1
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{
"id": "jvasp-85709",
"created_at": "2022-09-04T14:36:05.645066Z",
"updated_at": "2022-09-04T14:36:05.645092Z",
"structure_string": "Ba2 Bi2 O6\n1.0\n7.991195 3.882246 9.522328\n-1.240489 2.819767 2.759150\n-4.992067 -5.586908 -2.491301\nBa Bi O\n2 2 6\ndirect\n0.313929 0.903852 0.029170 Ba\n0.645228 -0.030236 0.960429 Ba\n0.100644 0.624036 0.257690 Bi\n0.812900 0.921599 0.628135 Bi\n0.608556 0.718163 0.156670 O\n0.558196 0.430481 0.473625 O\n0.160195 0.198693 0.578107 O\n0.280072 0.304010 0.623220 O\n0.577187 0.240985 0.621584 O\n0.943093 0.188418 0.671369 O\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Ba-Bi-O",
"density": 6.495252671446274,
"density_atomic": 0.04960026673820118,
"volume": 201.6118190005255,
"volume_molar": 12.141347529008069,
"formula_full": "Ba2 Bi2 O6",
"formula_reduced": "BaBiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.3871961539999995,
"spacegroup": 1
},
{
"id": "jvasp-43093",
"created_at": "2022-09-04T14:36:05.742918Z",
"updated_at": "2022-09-04T14:36:05.742948Z",
"structure_string": "Li1 Sb1 Te3 O12\n1.0\n5.046461 0.000560 0.001476\n0.002956 5.339136 0.045252\n0.002725 0.488084 7.338365\nLi Sb Te O\n1 1 3 12\ndirect\n0.000917 0.420811 0.212657 Li\n0.997457 0.002746 0.997869 Sb\n0.497831 0.510071 0.997226 Te\n0.001096 0.001956 0.507453 Te\n0.502331 0.507766 0.505883 Te\n0.308619 0.207264 0.076851 O\n0.184886 0.325652 0.436339 O\n0.823508 0.339864 0.949564 O\n0.356951 0.503959 0.750584 O\n0.638695 0.517366 0.254953 O\n0.819776 0.685629 0.574948 O\n0.143146 0.005263 0.747715 O\n0.665642 0.828961 0.935959 O\n0.872804 0.029992 0.259671 O\n0.685138 0.191890 0.577344 O\n0.184204 0.685367 0.075737 O\n0.317011 0.821043 0.432045 O\n",
"nsites": 17,
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"elements": [
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],
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"density": 5.9114921283365165,
"density_atomic": 0.08602737381384308,
"volume": 197.6115188264,
"volume_molar": 7.000261071588063,
"formula_full": "Li1 Sb1 Te3 O12",
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{
"id": "jvasp-42920",
"created_at": "2022-09-04T14:36:05.807197Z",
"updated_at": "2022-09-04T14:36:05.807224Z",
"structure_string": "Li3 Fe4 B4 O12\n1.0\n-5.207540 0.008542 0.054497\n2.592297 4.489021 -0.127999\n0.040368 -0.029243 -9.807383\nLi Fe B O\n3 4 4 12\ndirect\n0.009017 0.343818 0.354166 Li\n0.986050 0.346560 0.827134 Li\n0.994021 0.657288 0.105518 Li\n0.338943 0.313105 0.622373 Fe\n0.322509 0.005943 0.859503 Fe\n0.664824 0.988758 0.122909 Fe\n0.675780 0.677383 0.370183 Fe\n0.669996 0.678166 0.876635 B\n0.673791 0.985650 0.621313 B\n0.328779 0.001151 0.366416 B\n0.325829 0.322159 0.121600 B\n0.596027 0.576407 0.150143 O\n0.601641 0.022701 0.339245 O\n0.925819 0.660893 0.886658 O\n0.071564 0.735519 0.351466 O\n0.941328 0.240719 0.633805 O\n0.649736 0.724147 0.575902 O\n0.417800 0.988521 0.658851 O\n0.401732 0.429977 0.841568 O\n0.676937 0.944342 0.905393 O\n0.325348 0.065019 0.084680 O\n0.067178 0.330089 0.135384 O\n0.324086 0.257204 0.402437 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
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"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-O",
"density": 3.4691598353938438,
"density_atomic": 0.10022336144448121,
"volume": 229.48741359808474,
"volume_molar": 6.008719597113062,
"formula_full": "Li3 Fe4 B4 O12",
"formula_reduced": "Li3Fe4(BO3)4",
"formula_anonymous": "A3B4C4D12",
"energy_above_hull": 3.380567579710145,
"spacegroup": 1
},
{
"id": "jvasp-42728",
"created_at": "2022-09-04T14:36:05.979539Z",
"updated_at": "2022-09-04T14:36:05.979557Z",
"structure_string": "Fe6 O11 F1\n1.0\n4.370523 -0.014190 -0.009511\n0.093402 5.195393 -0.051129\n0.097083 0.559382 7.169447\nFe O F\n6 11 1\ndirect\n0.523864 0.847093 0.671676 Fe\n0.493984 0.497204 0.997852 Fe\n0.495633 0.164864 0.331316 Fe\n0.990002 0.321672 0.667779 Fe\n0.984396 0.663315 0.322971 Fe\n0.005160 0.003192 0.006182 Fe\n0.190596 0.964122 0.232848 O\n0.310468 0.797177 0.897627 O\n0.305484 0.469420 0.233748 O\n0.308815 0.131532 0.567619 O\n0.693233 0.867437 0.434998 O\n0.805622 0.701284 0.099580 O\n0.689916 0.200912 0.100450 O\n0.192834 0.296117 0.900908 O\n0.811632 0.039946 0.770558 O\n0.806863 0.363225 0.432147 O\n0.697274 0.537600 0.765217 O\n0.194207 0.633879 0.566527 F\n",
"nsites": 18,
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"elements": [
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"F"
],
"chemical_system": "F-Fe-O",
"density": 5.402164597321468,
"density_atomic": 0.11047517812353491,
"volume": 162.93252752099792,
"volume_molar": 5.451125639522353,
"formula_full": "Fe6 O11 F1",
"formula_reduced": "Fe6O11F",
"formula_anonymous": "AB6C11",
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"spacegroup": 1
},
{
"id": "jvasp-91448",
"created_at": "2022-09-04T14:36:06.115912Z",
"updated_at": "2022-09-04T14:36:06.115940Z",
"structure_string": "Si4 O8\n1.0\n5.006967 0.087485 -0.092202\n-0.157617 5.425444 -0.306347\n-0.103594 -0.270499 6.210018\nSi O\n4 8\ndirect\n0.495054 0.728790 0.130604 Si\n0.203859 0.227193 0.100085 Si\n0.853932 0.496628 0.825507 Si\n0.335905 0.510401 0.528339 Si\n0.790955 0.717851 0.022410 O\n0.603257 0.419621 0.654656 O\n0.931944 0.248974 0.948805 O\n0.382221 0.457164 0.033103 O\n0.451306 0.733506 0.391442 O\n0.191562 0.285441 0.364159 O\n0.342607 0.962875 0.042820 O\n0.098722 0.602269 0.689490 O\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "O-Si",
"density": 2.3711139693497922,
"density_atomic": 0.07129573991722307,
"volume": 168.3130017856948,
"volume_molar": 8.446704904096546,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4277985333333336,
"spacegroup": 1
},
{
"id": "jvasp-44705",
"created_at": "2022-09-04T14:36:06.259437Z",
"updated_at": "2022-09-04T14:36:06.259454Z",
"structure_string": "Mn1 Sb4 O12\n1.0\n5.029784 -0.000359 -0.002934\n-0.084683 5.478542 -0.040629\n-0.082203 -0.733516 7.474180\nMn Sb O\n1 4 12\ndirect\n0.001287 0.602785 0.708823 Mn\n0.000850 0.993181 0.029765 Sb\n0.495301 0.459884 0.490756 Sb\n0.989720 0.993074 0.497962 Sb\n0.508708 0.467364 0.018029 Sb\n0.682653 0.792910 0.082001 O\n0.841210 0.638321 0.473769 O\n0.169848 0.649415 0.931294 O\n0.667502 0.460634 0.752931 O\n0.345494 0.488579 0.258382 O\n0.170875 0.308904 0.602392 O\n0.881095 0.925580 0.756291 O\n0.319131 0.154972 0.937109 O\n0.160676 0.983319 0.270623 O\n0.288444 0.763864 0.596529 O\n0.828022 0.303668 0.090516 O\n0.649187 0.132137 0.443530 O\n",
"nsites": 17,
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"elements": [
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"Sb",
"O"
],
"chemical_system": "Mn-O-Sb",
"density": 5.922020093343775,
"density_atomic": 0.08260206250642191,
"volume": 205.80599907754524,
"volume_molar": 7.29054526880828,
"formula_full": "Mn1 Sb4 O12",
"formula_reduced": "Mn(SbO3)4",
"formula_anonymous": "AB4C12",
"energy_above_hull": 2.835660802434077,
"spacegroup": 1
}
]
}