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{
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"results": [
{
"id": "jvasp-119339",
"created_at": "2022-09-04T14:38:44.277762Z",
"updated_at": "2022-09-04T14:38:44.277788Z",
"structure_string": "Li4 V4 Sn2 O12\n1.0\n4.572360 0.000173 -2.564418\n0.001119 10.072924 0.000697\n0.023369 0.000128 5.242347\nLi V Sn O\n4 4 2 12\ndirect\n0.646334 0.750013 0.146143 Li\n0.853839 0.249988 0.353684 Li\n0.146139 0.750018 0.646350 Li\n0.353662 0.249984 0.853850 Li\n0.343126 -0.000001 0.656884 V\n0.156885 0.499998 0.843111 V\n0.843176 0.499997 0.156820 V\n0.656825 -0.000001 0.343183 V\n0.999971 0.000002 0.000025 Sn\n0.500025 0.500001 0.499965 Sn\n0.157998 0.391995 0.510650 O\n0.989352 0.891994 0.342116 O\n0.842051 0.608007 0.489287 O\n0.510708 0.391993 0.157946 O\n0.342065 0.891994 0.989409 O\n0.165706 0.606523 0.165631 O\n0.834361 0.393476 0.834285 O\n0.665744 0.893472 0.665807 O\n0.334206 0.106527 0.334269 O\n0.489345 0.608005 0.842000 O\n0.657889 0.108005 0.010655 O\n0.010598 0.108004 0.657940 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 4.534263975968722,
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"volume": 242.05060534736748,
"volume_molar": 6.6257400747502535,
"formula_full": "Li4 V4 Sn2 O12",
"formula_reduced": "Li2V2SnO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.5536646454545453,
"spacegroup": 64
},
{
"id": "jvasp-119338",
"created_at": "2022-09-04T14:38:26.030875Z",
"updated_at": "2022-09-04T14:38:26.030906Z",
"structure_string": "Mn4 O4 F4\n1.0\n5.085214 -0.000066 -0.125255\n0.000046 4.572461 -0.000031\n0.166015 0.000037 5.654887\nMn O F\n4 4 4\ndirect\n0.224345 0.481947 0.655125 Mn\n0.224347 0.018053 0.155128 Mn\n0.775653 0.981945 0.844872 Mn\n0.775653 0.518052 0.344874 Mn\n0.082595 0.219464 0.885502 O\n0.082593 0.280538 0.385503 O\n0.917407 0.719461 0.614497 O\n0.917404 0.780535 0.114497 O\n0.427589 0.758234 0.880310 F\n0.427592 0.741764 0.380310 F\n0.572408 0.258236 0.619689 F\n0.572410 0.241766 0.119691 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.539884625732037,
"density_atomic": 0.091197753088294,
"volume": 131.58218918378483,
"volume_molar": 6.603387206447515,
"formula_full": "Mn4 O4 F4",
"formula_reduced": "MnOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.22313700795977,
"spacegroup": 14
},
{
"id": "jvasp-119337",
"created_at": "2022-09-04T14:38:30.709155Z",
"updated_at": "2022-09-04T14:38:30.709176Z",
"structure_string": "Mn2 C4 O12\n1.0\n3.970384 0.000129 -2.292399\n1.324050 10.029223 2.294085\n0.000041 0.000519 4.584643\nMn C O\n2 4 12\ndirect\n0.749991 0.749998 0.500012 Mn\n0.250008 0.250001 0.499989 Mn\n0.880724 0.357735 0.761411 C\n0.380709 0.857730 0.761436 C\n0.619289 0.142269 0.238563 C\n0.119277 0.642265 0.238590 C\n0.855354 0.640291 0.943126 O\n0.355371 0.140297 0.943102 O\n0.087737 0.640293 0.504485 O\n0.587751 0.140298 0.504460 O\n0.412247 0.859702 0.495540 O\n0.144646 0.359708 0.056876 O\n0.644627 0.859702 0.056897 O\n0.583291 0.359700 0.727901 O\n0.416705 0.640299 0.272099 O\n0.916724 0.140304 0.272076 O\n0.912261 0.359707 0.495513 O\n0.083278 0.859696 0.727924 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"C",
"O"
],
"chemical_system": "C-Mn-O",
"density": 3.1828548947938295,
"density_atomic": 0.09860110807703858,
"volume": 182.55372937529586,
"volume_molar": 6.107579192005437,
"formula_full": "Mn2 C4 O12",
"formula_reduced": "Mn(CO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.886785360153257,
"spacegroup": 148
},
{
"id": "jvasp-119335",
"created_at": "2022-09-04T14:38:30.653283Z",
"updated_at": "2022-09-04T14:38:30.653310Z",
"structure_string": "Li6 Mn4 Si4 O16\n1.0\n7.252536 -0.012218 -0.524852\n3.483960 6.283891 3.504176\n-0.020361 -0.030693 7.259904\nLi Mn Si O\n6 4 4 16\ndirect\n0.783432 0.253823 0.451001 Li\n0.283443 0.253819 0.951009 Li\n0.534188 0.751528 0.205658 Li\n0.034191 0.751532 0.705655 Li\n0.961478 0.749425 0.289132 Li\n0.461473 0.749440 0.789128 Li\n0.582623 0.009429 0.389082 Mn\n0.907669 0.489499 0.099100 Mn\n0.082620 0.009430 0.889080 Mn\n0.407687 0.489501 0.599123 Mn\n0.825366 0.506033 0.666975 Si\n0.325356 0.506032 0.166976 Si\n0.675029 0.994426 0.836850 Si\n0.175026 0.994429 0.336848 Si\n0.118939 0.518048 0.250258 O\n0.246672 0.723387 0.928455 O\n0.746672 0.723383 0.428450 O\n-0.002579 0.501349 0.833768 O\n0.497402 0.501349 0.333779 O\n0.618960 0.518050 0.750283 O\n0.436801 0.292242 0.149014 O\n0.859436 0.978994 0.998981 O\n0.451082 0.204883 0.767493 O\n0.951072 0.204881 0.267488 O\n0.758989 0.000222 0.628128 O\n0.258987 0.000226 0.128124 O\n0.359429 0.979001 0.498979 O\n0.653560 0.776773 0.967569 O\n0.936792 0.292240 0.649017 O\n0.153567 0.776768 0.467572 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
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"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 3.1502178064016846,
"density_atomic": 0.09037700723394454,
"volume": 331.94283499943504,
"volume_molar": 6.663354922133507,
"formula_full": "Li6 Mn4 Si4 O16",
"formula_reduced": "Li3Mn2(SiO4)2",
"formula_anonymous": "A2B2C3D8",
"energy_above_hull": 2.833304645517241,
"spacegroup": 1
},
{
"id": "jvasp-119334",
"created_at": "2022-09-04T14:38:50.830319Z",
"updated_at": "2022-09-04T14:38:50.830338Z",
"structure_string": "Li4 Mn4 O2 F12\n1.0\n5.058270 -0.069523 -0.943272\n1.219624 4.909512 0.943318\n-0.021264 0.027361 10.880660\nLi Mn O F\n4 4 2 12\ndirect\n0.432597 0.910907 0.709393 Li\n0.089095 0.567406 0.209393 Li\n0.109479 0.484754 0.801882 Li\n0.515247 0.890518 0.301884 Li\n0.085655 0.587844 0.499582 Mn\n0.678542 0.420159 0.940283 Mn\n0.412154 0.914347 0.999583 Mn\n0.579838 0.321457 0.440284 Mn\n0.345453 0.648014 0.918559 O\n0.351986 0.654548 0.418559 O\n0.858824 0.554698 0.341402 F\n0.356518 0.251620 0.293848 F\n0.018835 0.191847 0.946389 F\n0.356915 0.180780 0.562844 F\n0.445301 0.141175 0.841402 F\n0.219165 0.666360 0.657734 F\n0.333639 0.780836 0.157734 F\n0.748377 0.643480 0.793847 F\n0.839419 0.404413 0.578086 F\n0.819221 0.643089 0.062844 F\n0.595587 0.160586 0.078086 F\n0.808152 -0.018836 0.446389 F\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.111149685494266,
"density_atomic": 0.08121981984687805,
"volume": 270.8698448417654,
"volume_molar": 7.414619696711234,
"formula_full": "Li4 Mn4 O2 F12",
"formula_reduced": "Li2Mn2OF6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 1.0157990616144197,
"spacegroup": 9
},
{
"id": "jvasp-119331",
"created_at": "2022-09-04T14:38:50.573134Z",
"updated_at": "2022-09-04T14:38:50.573161Z",
"structure_string": "Li2 Mn7 F16\n1.0\n6.008450 -0.020072 7.176193\n2.593699 5.419834 7.176193\n-0.031976 -0.020072 9.359391\nLi Mn F\n2 7 16\ndirect\n0.674648 0.674649 0.674649 Li\n0.325351 0.325351 0.325351 Li\n0.000000 0.000000 0.000000 Mn\n0.114724 0.482337 0.733178 Mn\n0.517662 0.266823 0.885276 Mn\n0.266822 0.885276 0.517663 Mn\n0.733177 0.114725 0.482337 Mn\n0.482337 0.733177 0.114724 Mn\n0.885276 0.517663 0.266822 Mn\n0.829974 0.400726 0.174228 F\n0.599274 0.825771 0.170026 F\n0.376976 0.809465 -0.073859 F\n0.809465 -0.073859 0.376975 F\n0.825771 0.170026 0.599274 F\n0.403023 0.403024 0.403023 F\n0.596976 0.596976 0.596976 F\n0.400725 0.174229 0.829974 F\n0.190534 0.073859 0.623025 F\n0.623024 0.190535 0.073859 F\n0.073859 0.623024 0.190535 F\n0.170025 0.599274 0.825772 F\n-0.073860 0.376975 0.809465 F\n0.779213 0.779213 0.779213 F\n0.174228 0.829974 0.400726 F\n0.220786 0.220787 0.220787 F\n",
"nsites": 25,
"nelements": 3,
"elements": [
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"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.799175449568924,
"density_atomic": 0.08142948391650126,
"volume": 307.01410346202476,
"volume_molar": 7.395528585414065,
"formula_full": "Li2 Mn7 F16",
"formula_reduced": "Li2Mn7F16",
"formula_anonymous": "A2B7C16",
"energy_above_hull": 1.3660934083862069,
"spacegroup": 148
},
{
"id": "jvasp-119330",
"created_at": "2022-09-04T14:38:47.964984Z",
"updated_at": "2022-09-04T14:38:47.965008Z",
"structure_string": "Li2 Ti4 V1 O8\n1.0\n5.105781 -0.001087 2.947798\n1.783838 4.784027 2.947798\n0.019382 0.013456 5.871954\nLi Ti V O\n2 4 1 8\ndirect\n0.000000 0.500000 -0.000000 Li\n0.500000 -0.000000 0.000000 Li\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n-0.000000 0.500001 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 V\n0.251899 0.746876 0.752642 O\n0.740195 0.740196 0.745348 O\n0.249807 0.249808 0.757655 O\n0.746875 0.251900 0.752642 O\n0.253125 0.748101 0.247358 O\n0.750193 0.750193 0.242345 O\n0.259804 0.259805 0.254652 O\n0.748100 0.253125 0.247358 O\n",
"nsites": 15,
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"elements": [
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],
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"density": 4.461284953132835,
"density_atomic": 0.10486891414998392,
"volume": 143.03571388702417,
"volume_molar": 5.742541351564976,
"formula_full": "Li2 Ti4 V1 O8",
"formula_reduced": "Li2Ti4VO8",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 3.152535035555556,
"spacegroup": 12
},
{
"id": "jvasp-119328",
"created_at": "2022-09-04T14:38:47.944605Z",
"updated_at": "2022-09-04T14:38:47.944628Z",
"structure_string": "Li1 V5 O7 F1\n1.0\n5.155719 0.002849 2.816345\n1.671990 4.877079 2.816345\n0.003986 0.002849 5.874795\nLi V O F\n1 5 7 1\ndirect\n0.241304 0.241304 0.241304 Li\n0.008291 0.008291 0.008291 V\n0.622330 0.622330 0.622331 V\n0.635606 0.121440 0.635606 V\n0.121439 0.635606 0.635606 V\n0.635605 0.635606 0.121440 V\n0.843612 0.380559 0.380560 O\n0.380559 0.380559 0.843612 O\n0.380559 0.843612 0.380560 O\n0.872792 0.872792 0.872793 O\n0.868251 0.394021 0.868251 O\n0.394021 0.868251 0.868251 O\n0.868250 0.868251 0.394022 O\n0.377376 0.377376 0.377377 F\n",
"nsites": 14,
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"elements": [
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"O",
"F"
],
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"density": 4.417029772457512,
"density_atomic": 0.09484440880361995,
"volume": 147.61017730615723,
"volume_molar": 6.349494752473118,
"formula_full": "Li1 V5 O7 F1",
"formula_reduced": "LiV5O7F",
"formula_anonymous": "ABC5D7",
"energy_above_hull": 3.289343270178572,
"spacegroup": 160
},
{
"id": "jvasp-119326",
"created_at": "2022-09-04T14:38:49.472550Z",
"updated_at": "2022-09-04T14:38:49.472578Z",
"structure_string": "Li2 Mn2 F10\n1.0\n5.143933 0.079455 -0.461054\n2.487096 4.622735 1.540519\n-0.010758 -0.088188 7.001369\nLi Mn F\n2 2 10\ndirect\n0.314833 0.297441 0.767203 Li\n0.685168 0.702557 0.232798 Li\n-0.000000 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.137674 0.010718 0.256316 F\n0.216663 0.163234 0.562404 F\n0.025789 0.653664 0.126328 F\n0.313162 0.643730 0.629652 F\n0.616304 0.174202 0.013004 F\n0.862327 0.989280 0.743685 F\n0.383697 0.825796 0.986997 F\n0.686839 0.356268 0.370350 F\n0.974212 0.346334 0.873674 F\n0.783338 0.836764 0.437597 F\n",
"nsites": 14,
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"elements": [
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],
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"density": 3.140748701086163,
"density_atomic": 0.08439938800047402,
"volume": 165.87798006214655,
"volume_molar": 7.135289606562286,
"formula_full": "Li2 Mn2 F10",
"formula_reduced": "LiMnF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.3082069505541869,
"spacegroup": 2
},
{
"id": "jvasp-119323",
"created_at": "2022-09-04T14:38:30.512663Z",
"updated_at": "2022-09-04T14:38:30.512690Z",
"structure_string": "Li4 V4 F14\n1.0\n4.943972 0.017695 0.611090\n0.558041 4.912409 0.611090\n-0.129658 -0.116181 10.083482\nLi V F\n4 4 14\ndirect\n0.261106 0.661407 0.488008 Li\n0.338593 0.738894 0.011992 Li\n0.661406 0.261105 0.988008 Li\n0.738894 0.338593 0.511992 Li\n0.723685 0.751665 0.245627 V\n0.248334 0.276315 0.254373 V\n0.751665 0.723685 0.745627 V\n0.276315 0.248334 0.754373 V\n0.437683 0.494269 0.871088 F\n0.594517 0.054620 0.627840 F\n0.931276 0.068723 0.250000 F\n0.054620 0.594518 0.127840 F\n0.020549 0.472639 0.624339 F\n-0.020550 0.527362 0.375660 F\n0.562317 0.505730 0.128912 F\n0.068724 0.931276 0.750000 F\n0.405482 0.945380 0.372160 F\n0.527361 -0.020550 0.875660 F\n0.472638 0.020549 0.124340 F\n0.494269 0.437683 0.371088 F\n0.945379 0.405482 0.872160 F\n0.505730 0.562317 0.628912 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.3651599737909597,
"density_atomic": 0.08961475863536086,
"volume": 245.495277061641,
"volume_molar": 6.720032338092732,
"formula_full": "Li4 V4 F14",
"formula_reduced": "Li2V2F7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 0.7334300343181819,
"spacegroup": 15
},
{
"id": "jvasp-119322",
"created_at": "2022-09-04T14:38:50.788261Z",
"updated_at": "2022-09-04T14:38:50.788297Z",
"structure_string": "Li1 Mn1 P3 H1 O10\n1.0\n5.883186 0.173034 1.906492\n0.068207 5.885335 1.906492\n0.069843 0.071099 6.439344\nLi Mn P H O\n1 1 3 1 10\ndirect\n0.104693 -0.104694 0.500000 Li\n0.321287 0.678712 -0.000000 Mn\n0.798207 0.559586 0.087641 P\n0.417676 0.582324 0.499999 P\n0.440413 0.201793 0.912357 P\n0.770735 0.229265 -0.000000 H\n0.644694 0.672398 0.933819 O\n0.299924 0.990024 0.000676 O\n0.380667 0.757772 0.627296 O\n0.674006 0.596893 0.338636 O\n0.696898 0.165035 0.876490 O\n0.834965 0.303101 0.123509 O\n0.403106 0.325994 0.661363 O\n0.242228 0.619333 0.372703 O\n0.009975 0.700076 -0.000677 O\n0.327601 0.355305 0.066180 O\n",
"nsites": 16,
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"elements": [
"Li",
"Mn",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P",
"density": 2.3692751967244305,
"density_atomic": 0.0722888214507208,
"volume": 221.33435957186245,
"volume_molar": 8.330666677288807,
"formula_full": "Li1 Mn1 P3 H1 O10",
"formula_reduced": "LiMnP3HO10",
"formula_anonymous": "ABCD3E10",
"energy_above_hull": 3.0358186713362065,
"spacegroup": 5
},
{
"id": "jvasp-119319",
"created_at": "2022-09-04T14:38:47.876151Z",
"updated_at": "2022-09-04T14:38:47.876175Z",
"structure_string": "Li4 Ni4 O8\n1.0\n5.008142 0.052710 2.861985\n1.654941 4.727096 2.861985\n0.021607 0.015500 5.753675\nLi Ni O\n4 4 8\ndirect\n0.500000 0.500000 -0.000001 Li\n0.500000 0.500000 0.499999 Li\n0.500000 -0.000000 -0.000000 Li\n-0.000000 0.500000 -0.000000 Li\n0.000000 0.000000 0.000000 Ni\n0.500000 -0.000000 0.499999 Ni\n0.000000 0.500000 0.499999 Ni\n0.000000 -0.000000 0.499999 Ni\n0.766072 0.766073 0.731878 O\n0.780726 0.243169 0.747831 O\n0.745051 0.745052 0.283209 O\n0.756831 0.219274 0.252166 O\n0.243168 0.780726 0.747831 O\n0.254949 0.254949 0.716789 O\n0.219274 0.756832 0.252166 O\n0.233928 0.233928 0.268119 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 4.793986004018559,
"density_atomic": 0.11827967751808427,
"volume": 135.27260418471883,
"volume_molar": 5.091441646075886,
"formula_full": "Li4 Ni4 O8",
"formula_reduced": "LiNiO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2664998499999998,
"spacegroup": 12
}
]
}