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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=272",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=270",
"results": [
{
"id": "jvasp-44518",
"created_at": "2022-09-04T14:37:15.954640Z",
"updated_at": "2022-09-04T14:37:15.954665Z",
"structure_string": "Li5 Nb2 Fe5 O12\n1.0\n5.036491 -0.017115 0.011216\n-2.481048 -4.525033 -0.014256\n-1.936933 0.041881 -9.735011\nLi Nb Fe O\n5 2 5 12\ndirect\n0.684148 0.855872 0.492311 Li\n0.813625 0.137046 0.011345 Li\n0.157268 0.845568 0.001959 Li\n0.303322 0.121366 0.493687 Li\n0.933902 0.845351 0.252858 Li\n0.267368 0.501032 0.247751 Nb\n0.742296 0.465304 0.745765 Nb\n0.446800 0.879782 0.749843 Fe\n0.004749 0.503671 0.492523 Fe\n0.587467 0.184396 0.247333 Fe\n0.049427 0.173737 0.752332 Fe\n0.494057 0.493171 0.025013 Fe\n0.031542 0.803688 0.622848 O\n0.180973 0.148684 0.128501 O\n0.984003 0.195023 0.378314 O\n0.360061 0.493896 0.626406 O\n0.126546 0.503808 0.878399 O\n0.541380 0.840165 0.132088 O\n0.286114 0.811734 0.374980 O\n0.705439 0.179733 0.599184 O\n0.468357 0.181970 0.879175 O\n0.891210 0.504529 0.127991 O\n0.650132 0.513838 0.374341 O\n0.789818 0.816642 0.865051 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Fe-Li-Nb-O",
"density": 5.169921496673629,
"density_atomic": 0.10802045214576869,
"volume": 222.18014758550623,
"volume_molar": 5.5750005118228865,
"formula_full": "Li5 Nb2 Fe5 O12",
"formula_reduced": "Li5Nb2Fe5O12",
"formula_anonymous": "A2B5C5D12",
"energy_above_hull": 3.1396682625,
"spacegroup": 1
},
{
"id": "jvasp-112834",
"created_at": "2022-09-04T14:38:44.220185Z",
"updated_at": "2022-09-04T14:38:44.220200Z",
"structure_string": "Li5 Fe5 Cu2 O12\n1.0\n5.032818 -0.047152 0.331781\n-2.336519 4.457820 0.331781\n0.097385 0.159304 9.504516\nLi Fe Cu O\n5 5 2 12\ndirect\n0.834741 0.666468 0.258446 Li\n0.682140 0.858181 0.739216 Li\n0.333531 0.165259 0.741554 Li\n0.141818 0.317859 0.260785 Li\n0.081109 0.918889 0.500000 Li\n0.922410 0.077590 -0.000000 Fe\n-0.008004 0.515812 0.741220 Fe\n0.484187 0.008003 0.258780 Fe\n0.583217 0.416783 -0.000000 Fe\n0.419467 0.580531 0.500000 Fe\n0.252467 0.747533 -0.000000 Cu\n0.750661 0.249339 0.500000 Cu\n0.203615 0.043458 0.123953 O\n0.075013 0.249071 0.612336 O\n0.750928 0.924986 0.387665 O\n0.845176 0.326719 0.129686 O\n0.673281 0.154824 0.870314 O\n0.697952 0.539509 0.622844 O\n0.460490 0.302047 0.377156 O\n0.581097 0.744269 0.111049 O\n0.255730 0.418902 0.888951 O\n0.352095 0.829672 0.629529 O\n0.170327 0.647903 0.370471 O\n0.956541 0.796384 0.876048 O\n",
"nsites": 24,
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"elements": [
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"Fe",
"Cu",
"O"
],
"chemical_system": "Cu-Fe-Li-O",
"density": 4.966307453019393,
"density_atomic": 0.11339186085325795,
"volume": 211.65540294870678,
"volume_molar": 5.310910954881797,
"formula_full": "Li5 Fe5 Cu2 O12",
"formula_reduced": "Li5Fe5(CuO6)2",
"formula_anonymous": "A2B5C5D12",
"energy_above_hull": 2.5249583499999995,
"spacegroup": 5
},
{
"id": "jvasp-43047",
"created_at": "2022-09-04T14:38:09.922341Z",
"updated_at": "2022-09-04T14:38:09.922361Z",
"structure_string": "Li5 Mn5 Ni2 O12\n1.0\n5.071262 0.125712 -0.080530\n2.326780 4.507725 0.080530\n-0.595247 0.950408 9.590300\nLi Mn Ni O\n5 5 2 12\ndirect\n0.175724 0.651652 0.508642 Li\n0.305976 0.866017 0.986085 Li\n0.651650 0.175725 0.991358 Li\n0.866015 0.305978 0.513915 Li\n0.921615 0.921617 0.750000 Li\n0.072914 0.072915 0.250000 Mn\n0.986832 0.526453 0.990983 Mn\n0.526452 0.986834 0.509017 Mn\n0.412723 0.412723 0.250000 Mn\n0.579842 0.579843 0.750000 Mn\n0.748614 0.748615 0.250000 Ni\n0.254239 0.254241 0.750000 Ni\n0.804198 0.022465 0.382853 O\n0.933387 0.255440 0.867374 O\n0.255439 0.933389 0.632626 O\n0.178525 0.323831 0.381801 O\n0.323830 0.178526 0.118199 O\n0.297207 0.552340 0.867827 O\n0.552339 0.297208 0.632173 O\n0.429002 0.718279 0.357475 O\n0.718278 0.429003 0.142525 O\n0.632911 0.849807 0.876237 O\n0.849805 0.632912 0.623763 O\n0.022465 0.804199 0.117147 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Mn",
"Ni",
"O"
],
"chemical_system": "Li-Mn-Ni-O",
"density": 4.764899532755865,
"density_atomic": 0.11129694826907825,
"volume": 215.63933578822076,
"volume_molar": 5.410876806289879,
"formula_full": "Li5 Mn5 Ni2 O12",
"formula_reduced": "Li5Mn5(NiO6)2",
"formula_anonymous": "A2B5C5D12",
"energy_above_hull": 2.883609708620689,
"spacegroup": 5
},
{
"id": "jvasp-46285",
"created_at": "2022-09-04T14:38:10.052019Z",
"updated_at": "2022-09-04T14:38:10.052045Z",
"structure_string": "Li5 Co5 Sn2 O12\n1.0\n5.201083 0.172224 -0.179236\n2.425296 4.604224 0.179236\n-0.789589 1.260709 9.780736\nLi Co Sn O\n5 5 2 12\ndirect\n0.190864 0.687229 0.500974 Li\n0.332003 0.805532 0.993748 Li\n0.687229 0.190863 0.999027 Li\n0.805534 0.332002 0.506253 Li\n0.910307 0.910305 0.750000 Li\n0.096202 0.096202 0.250000 Co\n0.005680 0.499419 0.001945 Co\n0.499419 0.005679 0.498055 Co\n0.407165 0.407164 0.250000 Co\n0.580233 0.580232 0.750000 Co\n0.752381 0.752379 0.250000 Sn\n0.248213 0.248212 0.750000 Sn\n0.797890 0.032183 0.373485 O\n0.941663 0.235288 0.868073 O\n0.235290 0.941662 0.631928 O\n0.126488 0.377443 0.377764 O\n0.377444 0.126487 0.122236 O\n0.309559 0.526969 0.867823 O\n0.526970 0.309558 0.632178 O\n0.466785 0.708272 0.369052 O\n0.708274 0.466783 0.130948 O\n0.621813 0.840417 0.866095 O\n0.840419 0.621811 0.633906 O\n0.032184 0.797889 0.126515 O\n",
"nsites": 24,
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"elements": [
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"Co",
"Sn",
"O"
],
"chemical_system": "Co-Li-O-Sn",
"density": 5.532722744931134,
"density_atomic": 0.10538602304998358,
"volume": 227.7341843388191,
"volume_molar": 5.714363808133984,
"formula_full": "Li5 Co5 Sn2 O12",
"formula_reduced": "Li5Co5(SnO6)2",
"formula_anonymous": "A2B5C5D12",
"energy_above_hull": 2.5762741625000003,
"spacegroup": 5
},
{
"id": "jvasp-45225",
"created_at": "2022-09-04T14:38:04.152461Z",
"updated_at": "2022-09-04T14:38:04.152492Z",
"structure_string": "Li5 Fe2 Ni5 O12\n1.0\n5.001129 0.161530 -0.103021\n2.328392 4.428993 0.103021\n-0.617912 0.986597 9.490898\nLi Fe Ni O\n5 2 5 12\ndirect\n0.154159 0.671485 0.505147 Li\n0.339030 0.830882 0.996385 Li\n0.671486 0.154159 0.994853 Li\n0.830882 0.339030 0.503615 Li\n0.911054 0.911054 0.750000 Li\n0.247498 0.247498 0.750000 Fe\n0.751474 0.751474 0.250000 Fe\n0.420123 0.420123 0.250000 Ni\n0.505921 -0.001334 0.502676 Ni\n0.580691 0.580691 0.750000 Ni\n0.084173 0.084173 0.250000 Ni\n-0.001334 0.505922 0.997324 Ni\n0.782498 0.034364 0.366433 O\n0.976302 0.221750 0.866476 O\n0.221750 0.976302 0.633524 O\n0.109453 0.395481 0.365238 O\n0.395481 0.109453 0.134762 O\n0.305774 0.509167 0.865911 O\n0.509167 0.305774 0.634089 O\n0.467397 0.723404 0.364079 O\n0.723405 0.467397 0.135921 O\n0.630633 0.848620 0.872846 O\n0.848620 0.630633 0.627154 O\n0.034364 0.782498 0.133567 O\n",
"nsites": 24,
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"elements": [
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"O"
],
"chemical_system": "Fe-Li-Ni-O",
"density": 5.102803799662333,
"density_atomic": 0.11672227010198791,
"volume": 205.61628881129218,
"volume_molar": 5.159375974043394,
"formula_full": "Li5 Fe2 Ni5 O12",
"formula_reduced": "Li5Fe2Ni5O12",
"formula_anonymous": "A2B5C5D12",
"energy_above_hull": 2.301924375,
"spacegroup": 5
},
{
"id": "jvasp-42960",
"created_at": "2022-09-04T14:37:27.086838Z",
"updated_at": "2022-09-04T14:37:27.086861Z",
"structure_string": "Li5 V5 Cr2 O12\n1.0\n5.051971 0.232972 -0.139580\n2.414861 4.443549 0.139580\n-0.675478 1.078510 9.671259\nLi V Cr O\n5 5 2 12\ndirect\n0.158659 0.671136 0.512627 Li\n0.328022 0.830745 0.990475 Li\n0.671136 0.158659 0.987373 Li\n0.830744 0.328023 0.509525 Li\n0.922175 0.922175 0.750000 Li\n-0.002016 0.502460 0.989654 V\n0.502460 -0.002015 0.510346 V\n0.422032 0.422032 0.250000 V\n0.582968 0.582969 0.750000 V\n0.070518 0.070518 0.250000 V\n0.757361 0.757361 0.250000 Cr\n0.251057 0.251058 0.750000 Cr\n0.791227 0.034786 0.379211 O\n0.963815 0.211727 0.872058 O\n0.211727 0.963816 0.627942 O\n0.127438 0.367885 0.367644 O\n0.367885 0.127438 0.132356 O\n0.296172 0.531165 0.870637 O\n0.531165 0.296173 0.629363 O\n0.470142 0.715694 0.370928 O\n0.715694 0.470142 0.129072 O\n0.619773 0.875048 0.870627 O\n0.875048 0.619773 0.629373 O\n0.034786 0.791228 0.120789 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"V",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-V",
"density": 4.626704444100514,
"density_atomic": 0.11423075265030518,
"volume": 210.1010405969332,
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"formula_full": "Li5 V5 Cr2 O12",
"formula_reduced": "Li5V5Cr2O12",
"formula_anonymous": "A2B5C5D12",
"energy_above_hull": 3.294140325,
"spacegroup": 5
},
{
"id": "jvasp-44742",
"created_at": "2022-09-04T14:36:38.199511Z",
"updated_at": "2022-09-04T14:36:38.199533Z",
"structure_string": "Li5 Ni5 Sn2 O12\n1.0\n5.197311 0.201975 -0.137312\n2.450416 4.587842 0.137312\n-0.698943 1.115978 9.816945\nLi Ni Sn O\n5 5 2 12\ndirect\n0.186671 0.680225 0.503359 Li\n0.322117 0.817290 0.992044 Li\n0.680224 0.186671 0.996640 Li\n0.817290 0.322117 0.507955 Li\n0.906921 0.906922 0.750000 Li\n0.087812 0.087812 0.250000 Ni\n0.997717 0.506504 0.995484 Ni\n0.506504 0.997717 0.504516 Ni\n0.419112 0.419112 0.250000 Ni\n0.579652 0.579652 0.750000 Ni\n0.753644 0.753644 0.250000 Sn\n0.246824 0.246824 0.750000 Sn\n0.786756 0.042838 0.372937 O\n0.955385 0.226629 0.875732 O\n0.226628 0.955385 0.624268 O\n0.138288 0.370620 0.368000 O\n0.370619 0.138288 0.132000 O\n0.291570 0.529472 0.872429 O\n0.529472 0.291570 0.627571 O\n0.461832 0.721828 0.371191 O\n0.721828 0.461832 0.128809 O\n0.615861 0.854443 0.869670 O\n0.854442 0.615861 0.630330 O\n0.042838 0.786756 0.127062 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 5.527496136112341,
"density_atomic": 0.10545309713772939,
"volume": 227.5893326172702,
"volume_molar": 5.710729152065253,
"formula_full": "Li5 Ni5 Sn2 O12",
"formula_reduced": "Li5Ni5(SnO6)2",
"formula_anonymous": "A2B5C5D12",
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{
"id": "jvasp-116836",
"created_at": "2022-09-04T14:38:45.621155Z",
"updated_at": "2022-09-04T14:38:45.621184Z",
"structure_string": "Li2 Fe5 O5 F7\n1.0\n5.682960 -0.011106 -1.053254\n-1.154814 5.623807 -1.018802\n-0.035843 -0.037564 6.193701\nLi Fe O F\n2 5 5 7\ndirect\n0.867251 0.676251 0.403532 Li\n0.323330 0.607275 0.137529 Li\n0.657734 0.384910 0.840990 Fe\n0.137698 0.328429 0.579344 Fe\n0.621300 0.149230 0.347359 Fe\n0.985489 0.010259 0.013799 Fe\n0.400603 0.860963 0.675260 Fe\n0.838871 0.403959 0.608064 O\n0.402941 0.579815 0.776186 O\n0.957891 0.125566 0.315514 O\n0.391064 0.157449 0.575095 O\n0.667227 0.043560 0.882248 O\n0.118831 0.316474 0.959092 F\n0.182108 0.616211 0.398826 F\n0.580287 0.403310 0.177272 F\n0.059848 0.885273 0.712143 F\n0.613905 0.825983 0.430203 F\n0.873222 0.678053 0.042417 F\n0.320411 0.947034 0.125141 F\n",
"nsites": 19,
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"elements": [
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],
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"density_atomic": 0.09625392324665814,
"volume": 197.39455140245065,
"volume_molar": 6.256514598961123,
"formula_full": "Li2 Fe5 O5 F7",
"formula_reduced": "Li2Fe5O5F7",
"formula_anonymous": "A2B5C5D7",
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"spacegroup": 1
},
{
"id": "jvasp-42547",
"created_at": "2022-09-04T14:36:10.365500Z",
"updated_at": "2022-09-04T14:36:10.365530Z",
"structure_string": "Li2 Fe5 O5 F7\n1.0\n5.776555 0.028227 0.053096\n-0.936005 5.911708 0.027370\n-0.989841 -1.181900 5.668269\nLi Fe O F\n2 5 5 7\ndirect\n0.863377 0.674621 0.403599 Li\n0.318819 0.600829 0.123344 Li\n0.652755 0.396337 0.841045 Fe\n0.147017 0.352294 0.593149 Fe\n0.629330 0.153261 0.342587 Fe\n0.988569 0.008454 0.025999 Fe\n0.407473 0.887750 0.703770 Fe\n0.841393 0.416923 0.605536 O\n0.393525 0.589845 0.780371 O\n0.961678 0.115266 0.342325 O\n0.399824 0.182551 0.574427 O\n0.681792 0.071716 0.913239 O\n0.132699 0.278896 0.904254 F\n0.159707 0.537453 0.360558 F\n0.566894 0.414246 0.181383 F\n0.064459 0.862759 0.695015 F\n0.596737 0.829466 0.442580 F\n0.873945 0.681800 0.047806 F\n0.319994 0.945543 0.119023 F\n",
"nsites": 19,
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"elements": [
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],
"chemical_system": "F-Fe-Li-O",
"density": 4.325809470791523,
"density_atomic": 0.09780064355995771,
"volume": 194.27275024373282,
"volume_molar": 6.157567620000438,
"formula_full": "Li2 Fe5 O5 F7",
"formula_reduced": "Li2Fe5O5F7",
"formula_anonymous": "A2B5C5D7",
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},
{
"id": "jvasp-12486",
"created_at": "2022-09-04T14:38:06.183432Z",
"updated_at": "2022-09-04T14:38:06.183446Z",
"structure_string": "Pb5 S2 I6\n1.0\n4.467326 0.000000 -0.000000\n-2.233664 7.180958 -1.013703\n-0.000000 0.005899 14.766325\nPb S I\n5 2 6\ndirect\n0.784663 0.569325 0.238771 Pb\n0.873377 0.746751 0.536624 Pb\n0.126625 0.253250 0.463377 Pb\n0.215338 0.430676 0.761229 Pb\n0.000000 0.000000 0.000000 Pb\n0.719415 0.438829 0.404414 S\n0.280587 0.561171 0.595587 S\n0.362792 0.725583 0.064643 I\n0.572147 0.144292 0.644723 I\n0.119546 0.239092 0.203007 I\n0.637209 0.274417 0.935358 I\n0.427855 0.855709 0.355278 I\n0.880456 0.760909 0.796993 I\n",
"nsites": 13,
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"elements": [
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"I"
],
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"density": 6.525269418155146,
"density_atomic": 0.027442040813249798,
"volume": 473.72570023010934,
"volume_molar": 21.944944987809865,
"formula_full": "Pb5 S2 I6",
"formula_reduced": "Pb5(SI3)2",
"formula_anonymous": "A2B5C6",
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"spacegroup": 12
},
{
"id": "jvasp-13346",
"created_at": "2022-09-04T14:36:56.507293Z",
"updated_at": "2022-09-04T14:36:56.507325Z",
"structure_string": "K6 Fe2 O5\n1.0\n6.616853 0.008689 0.014416\n-0.294173 6.590228 0.080667\n-0.294173 -3.006554 5.865001\nK Fe O\n6 2 5\ndirect\n0.990020 0.199433 0.795484 K\n0.174915 0.361215 0.361215 K\n0.499441 0.759265 0.248792 K\n0.499441 0.248792 0.759264 K\n0.835804 0.639921 0.639921 K\n0.990020 0.795484 0.199433 K\n0.336246 0.794491 0.794490 Fe\n0.689011 0.190014 0.190014 Fe\n0.217547 0.843135 0.562504 O\n0.217547 0.562504 0.843134 O\n0.602424 0.922543 0.922542 O\n0.768343 0.164250 0.447365 O\n0.768343 0.447365 0.164250 O\n",
"nsites": 13,
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"elements": [
"K",
"Fe",
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],
"chemical_system": "Fe-K-O",
"density": 2.749860000566587,
"density_atomic": 0.050502530748229794,
"volume": 257.412842631766,
"volume_molar": 11.924433628924797,
"formula_full": "K6 Fe2 O5",
"formula_reduced": "K6Fe2O5",
"formula_anonymous": "A2B5C6",
"energy_above_hull": 1.153327423076923,
"spacegroup": 8
},
{
"id": "jvasp-76251",
"created_at": "2022-09-04T14:37:01.028618Z",
"updated_at": "2022-09-04T14:37:01.028652Z",
"structure_string": "Nd5 Fe2 B6\n1.0\n5.193631 -0.002460 6.967792\n2.309358 4.651954 6.967792\n-0.003970 -0.002460 8.690450\nNd Fe B\n5 2 6\ndirect\n0.583916 0.583915 0.583916 Nd\n0.416084 0.416084 0.416084 Nd\n0.748088 0.748087 0.748087 Nd\n0.251913 0.251912 0.251913 Nd\n0.000000 0.000000 0.000000 Nd\n0.878896 0.878895 0.878896 Fe\n0.121104 0.121104 0.121104 Fe\n0.833579 0.499999 0.166421 B\n0.500000 0.166421 0.833579 B\n0.166422 0.833578 0.500000 B\n0.166421 0.499999 0.833579 B\n0.500000 0.833578 0.166421 B\n0.833579 0.166421 0.500000 B\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Nd",
"Fe",
"B"
],
"chemical_system": "B-Fe-Nd",
"density": 7.092397239974925,
"density_atomic": 0.06184778536460732,
"volume": 210.193460014161,
"volume_molar": 9.737035407974686,
"formula_full": "Nd5 Fe2 B6",
"formula_reduced": "Nd5(FeB3)2",
"formula_anonymous": "A2B5C6",
"energy_above_hull": 3.932089538461538,
"spacegroup": 166
}
]
}