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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=61",
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"results": [
{
"id": "jvasp-116880",
"created_at": "2022-09-04T14:38:34.582193Z",
"updated_at": "2022-09-04T14:38:34.582222Z",
"structure_string": "Li14 Mn2 O6 F6\n1.0\n5.244136 -0.050750 1.243316\n-3.518997 5.417175 0.627611\n-0.079235 -0.053192 10.133871\nLi Mn O F\n14 2 6 6\ndirect\n0.095737 0.099271 0.222921 Li\n0.963207 0.906089 0.730096 Li\n0.882478 0.390250 0.276351 Li\n0.517172 0.008722 0.617689 Li\n0.477796 0.500564 0.891019 Li\n0.758698 0.805124 0.534134 Li\n0.727536 0.248573 0.055494 Li\n0.697109 0.115526 0.815526 Li\n0.202375 0.684252 0.957068 Li\n0.273294 0.230907 0.444695 Li\n0.542326 0.541290 0.123477 Li\n0.447720 0.945858 0.394230 Li\n0.093079 0.612315 0.749414 Li\n0.297232 0.383402 0.671478 Li\n0.102422 0.064630 0.950176 Mn\n0.985641 0.448793 0.516183 Mn\n0.934119 0.129765 0.624061 O\n0.622394 0.269312 0.465297 O\n0.061492 0.354115 0.874738 O\n0.392060 0.254303 0.042925 O\n0.255026 0.924680 0.809271 O\n0.347506 0.690918 0.559987 O\n0.726676 0.585761 0.707896 F\n0.094561 0.932960 0.380745 F\n0.245920 0.421365 0.295119 F\n0.909756 0.582569 0.121454 F\n0.608119 0.790264 0.953443 F\n0.738581 0.078438 0.215112 F\n",
"nsites": 28,
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"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 2.4127343135833947,
"density_atomic": 0.09755374391242652,
"volume": 287.0212754226578,
"volume_molar": 6.173151863249907,
"formula_full": "Li14 Mn2 O6 F6",
"formula_reduced": "Li7Mn(OF)3",
"formula_anonymous": "AB3C3D7",
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"spacegroup": 1
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{
"id": "jvasp-117511",
"created_at": "2022-09-04T14:38:35.453485Z",
"updated_at": "2022-09-04T14:38:35.453510Z",
"structure_string": "B1 Se3\n1.0\n5.632028 0.307672 -0.106523\n1.621002 -6.272992 -0.346508\n-0.980455 -0.095925 -2.875334\nB Se\n1 3\ndirect\n0.565813 0.329768 0.742120 B\n0.929835 0.133197 -0.003781 Se\n0.435517 0.170507 0.165365 Se\n0.519618 0.640459 0.708307 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"Se"
],
"chemical_system": "B-Se",
"density": 3.9697888002917177,
"density_atomic": 0.038607179027239376,
"volume": 103.60767351527527,
"volume_molar": 15.598499843127792,
"formula_full": "B1 Se3",
"formula_reduced": "BSe3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.205878170833333,
"spacegroup": 1
},
{
"id": "jvasp-59219",
"created_at": "2022-09-04T14:38:35.046865Z",
"updated_at": "2022-09-04T14:38:35.046890Z",
"structure_string": "Li2 V2 P4 O14\n1.0\n5.036518 0.018376 0.019147\n0.306683 6.715258 0.008112\n0.399104 2.978088 7.617257\nLi V P O\n2 2 4 14\ndirect\n0.280323 0.819514 -0.003796 Li\n0.790361 0.184794 0.435432 Li\n0.240135 0.219068 0.727376 V\n0.758881 0.796679 0.273071 V\n0.233661 0.115195 0.172892 P\n0.285960 0.459265 0.305300 P\n0.715182 0.541445 0.691211 P\n0.766484 0.890237 0.829129 P\n0.825095 0.707025 0.520320 O\n0.700253 0.657474 0.832283 O\n0.945625 0.073520 0.246468 O\n0.592095 0.055958 0.691674 O\n0.576667 0.496981 0.327442 O\n0.430718 0.479908 0.681681 O\n0.151660 0.297224 0.469387 O\n0.268745 0.113798 0.988242 O\n0.290588 0.356636 0.154201 O\n0.901209 0.348297 0.768039 O\n0.120159 0.666134 0.222044 O\n0.435292 0.966510 0.296811 O\n0.064083 0.926213 0.786381 O\n0.683613 0.862153 0.018315 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.9907749458209905,
"density_atomic": 0.08546051574730304,
"volume": 257.42882321294996,
"volume_molar": 7.046693677588819,
"formula_full": "Li2 V2 P4 O14",
"formula_reduced": "LiVP2O7",
"formula_anonymous": "ABC2D7",
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"spacegroup": 1
},
{
"id": "jvasp-33992",
"created_at": "2022-09-04T14:38:35.096536Z",
"updated_at": "2022-09-04T14:38:35.096561Z",
"structure_string": "Te8 Mo6 S4\n1.0\n-0.352536 -5.934318 -0.024114\n0.165872 0.056778 13.981298\n-4.963823 3.265983 -0.049983\nTe Mo S\n8 6 4\ndirect\n0.690928 0.882733 0.031770 Te\n0.674848 0.625809 0.015130 Te\n-0.007210 0.377537 0.317523 Te\n0.009827 0.614812 0.682406 Te\n0.356289 0.894127 0.367285 Te\n0.324496 0.365500 0.985979 Te\n0.307818 0.108996 0.964615 Te\n0.655078 0.377531 0.650290 Te\n0.317216 0.238013 0.327286 Mo\n0.681755 0.753696 0.672682 Mo\n0.668291 0.238995 0.976432 Mo\n0.033255 0.753630 0.373389 Mo\n0.965915 0.239867 0.624877 Mo\n0.332631 0.754603 0.024125 Mo\n0.646654 0.133500 0.637200 S\n0.343828 0.649645 0.349476 S\n0.977760 0.133338 0.303436 S\n0.020629 0.857673 0.696103 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.693377304799135,
"density_atomic": 0.04206831828480038,
"volume": 427.8754353368945,
"volume_molar": 14.315144996361425,
"formula_full": "Te8 Mo6 S4",
"formula_reduced": "Te4Mo3S2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.2889454185185185,
"spacegroup": 1
},
{
"id": "jvasp-119549",
"created_at": "2022-09-04T14:38:35.386989Z",
"updated_at": "2022-09-04T14:38:35.387016Z",
"structure_string": "Li1 V1 Cr1 P4 O14\n1.0\n4.576259 -0.005905 -1.461799\n-0.104196 7.938473 -0.034037\n-0.052974 -0.009015 6.939679\nLi V Cr P O\n1 1 1 4 14\ndirect\n0.838735 0.369713 0.321587 Li\n0.221380 0.507757 0.730432 V\n0.785987 0.999245 0.272798 Cr\n0.402046 0.176759 0.515347 P\n0.204836 0.780934 0.090522 P\n0.779552 0.277403 0.908480 P\n0.606330 0.686465 0.482326 P\n0.837647 0.547972 0.515207 O\n0.730977 0.862422 0.488354 O\n0.616495 0.188586 0.391983 O\n0.394424 0.936506 0.093845 O\n0.390582 0.645365 0.257974 O\n0.588490 0.141698 0.749262 O\n0.258567 0.350387 0.514494 O\n0.424527 0.670969 0.628423 O\n0.880139 0.190796 0.112420 O\n0.181070 0.034508 0.458399 O\n0.130164 0.676789 0.894026 O\n0.037085 0.330703 0.835669 O\n0.590575 0.430396 0.921187 O\n0.924373 0.816601 0.140096 O\n",
"nsites": 21,
"nelements": 5,
"elements": [
"Li",
"V",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P-V",
"density": 3.0225773278166055,
"density_atomic": 0.0835035229192669,
"volume": 251.48639561355125,
"volume_molar": 7.211840350523106,
"formula_full": "Li1 V1 Cr1 P4 O14",
"formula_reduced": "LiVCr(P2O7)2",
"formula_anonymous": "ABCD4E14",
"energy_above_hull": 3.2397215523809524,
"spacegroup": 1
},
{
"id": "jvasp-34072",
"created_at": "2022-09-04T14:38:35.696197Z",
"updated_at": "2022-09-04T14:38:35.696215Z",
"structure_string": "Te10 Mo8 S6\n1.0\n3.064632 -6.100563 0.046254\n-5.275587 -2.642209 0.062142\n1.965108 3.004454 -14.084240\nTe Mo S\n10 8 6\ndirect\n0.615563 0.531396 0.389992 Te\n0.392784 0.473929 0.612605 Te\n0.783006 0.881911 0.117601 Te\n0.132853 0.969936 0.619749 Te\n0.212713 0.114691 0.878820 Te\n0.864131 0.031103 0.382099 Te\n0.292095 0.882930 0.118001 Te\n0.711034 0.120547 0.887342 Te\n0.357673 0.026710 0.382349 Te\n0.037415 0.379640 0.112541 Te\n0.434193 0.213535 0.747650 Mo\n0.823759 0.297822 0.249711 Mo\n0.683168 0.710423 0.750358 Mo\n0.325831 0.298052 0.250917 Mo\n0.168084 0.694146 0.749698 Mo\n0.073741 0.780781 0.249229 Mo\n0.916102 0.225776 0.750830 Mo\n0.575093 0.779902 0.251582 Mo\n0.102812 0.512045 0.352818 S\n0.891130 0.485220 0.641225 S\n0.545513 0.398482 0.147373 S\n0.651045 0.986239 0.646229 S\n0.455981 0.599717 0.851429 S\n0.954281 0.605072 0.859856 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.565272886054422,
"density_atomic": 0.04243855696656232,
"volume": 565.5234700583668,
"volume_molar": 14.190258082396378,
"formula_full": "Te10 Mo8 S6",
"formula_reduced": "Te5Mo4S3",
"formula_anonymous": "A3B4C5",
"energy_above_hull": 3.436570202777778,
"spacegroup": 1
},
{
"id": "jvasp-119177",
"created_at": "2022-09-04T14:38:36.253946Z",
"updated_at": "2022-09-04T14:38:36.253961Z",
"structure_string": "K1 Fe4 Si3 O12\n1.0\n5.210468 -0.020180 -0.468415\n-2.683587 4.502681 -0.403539\n0.100037 0.126158 10.095565\nK Fe Si O\n1 4 3 12\ndirect\n0.501715 0.512238 0.008407 K\n0.990153 0.986422 0.497829 Fe\n0.657104 0.345286 0.496158 Fe\n0.380869 0.660778 0.510434 Fe\n0.091119 0.766286 0.777513 Fe\n0.770188 0.105090 0.782844 Si\n0.899991 0.241732 0.228859 Si\n0.234399 0.911684 0.228468 Si\n0.727162 0.060315 0.610405 O\n0.010844 0.689205 0.586951 O\n0.652346 0.631362 0.390490 O\n0.351832 0.320748 0.588129 O\n0.548015 0.053874 0.164088 O\n0.053180 0.063367 0.166263 O\n0.471825 0.835055 0.828396 O\n0.813697 0.422205 0.840632 O\n0.947277 0.281876 0.391862 O\n0.056970 0.085951 0.841555 O\n0.046264 0.559596 0.168991 O\n0.295055 0.966936 0.391715 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"K",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-K-O-Si",
"density": 3.7755197787011814,
"density_atomic": 0.0844089352665796,
"volume": 236.9417400756942,
"volume_molar": 7.134482553275818,
"formula_full": "K1 Fe4 Si3 O12",
"formula_reduced": "KFe4(SiO4)3",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 3.12895589,
"spacegroup": 1
},
{
"id": "jvasp-119729",
"created_at": "2022-09-04T14:38:36.929082Z",
"updated_at": "2022-09-04T14:38:36.929098Z",
"structure_string": "Fe6 O2 F10\n1.0\n4.777435 0.000381 0.061420\n0.159678 5.609154 0.338330\n0.007133 0.184743 7.781766\nFe O F\n6 2 10\ndirect\n0.504138 0.161548 0.337264 Fe\n0.507562 0.494608 0.999280 Fe\n0.522729 0.818455 0.656141 Fe\n0.990348 0.658137 0.339896 Fe\n0.970094 0.350239 0.692377 Fe\n0.991068 0.022604 0.984281 Fe\n0.811996 0.633725 0.562648 O\n0.780328 0.310092 0.911670 O\n0.206092 0.028136 0.754328 F\n0.308994 0.208297 0.093073 F\n0.307958 0.526383 0.781273 F\n0.308384 0.855612 0.421174 F\n0.814333 0.976105 0.231082 F\n0.685795 0.474524 0.223338 F\n0.686536 0.792040 0.911949 F\n0.200028 0.353274 0.433829 F\n0.706105 0.137853 0.569138 F\n0.197498 0.698355 0.097265 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.442217706144027,
"density_atomic": 0.08644240871568752,
"volume": 208.23112483136265,
"volume_molar": 6.966650801931095,
"formula_full": "Fe6 O2 F10",
"formula_reduced": "Fe3OF5",
"formula_anonymous": "AB3C5",
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"spacegroup": 1
},
{
"id": "jvasp-120423",
"created_at": "2022-09-04T14:38:37.140411Z",
"updated_at": "2022-09-04T14:38:37.140437Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n4.838930 -0.040840 -0.804163\n-0.954443 4.793687 -0.918620\n-0.006648 0.092564 9.854093\nLi Mn Co O\n8 2 4 14\ndirect\n0.291450 0.570429 0.081841 Li\n0.413310 0.858908 0.354638 Li\n0.867261 0.716353 0.221465 Li\n0.009785 0.004740 0.493684 Li\n0.570451 0.137643 0.639262 Li\n0.142014 0.287772 0.781439 Li\n0.711540 0.426351 0.928622 Li\n0.143391 0.288493 0.287952 Li\n0.002212 0.003858 0.004922 Mn\n0.711391 0.424797 0.424006 Mn\n0.572356 0.143757 0.144603 Co\n0.856502 0.713057 0.713204 Co\n0.285112 0.570793 0.570082 Co\n0.428047 0.856724 0.856797 Co\n0.352566 0.189770 0.968190 O\n0.072132 0.666873 0.886951 O\n0.215439 0.935769 0.166112 O\n0.647004 0.810816 0.031060 O\n0.766383 0.090454 0.319961 O\n0.374247 0.241240 0.469677 O\n0.932707 0.381146 0.602700 O\n0.503238 0.529891 0.746163 O\n0.519549 0.483299 0.253705 O\n0.638155 0.759576 0.540209 O\n0.062477 0.634086 0.403922 O\n0.210587 0.899916 0.684827 O\n0.784093 0.044829 0.824127 O\n0.916604 0.328658 0.099879 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.539885908792718,
"density_atomic": 0.12245727596170326,
"volume": 228.65117470648778,
"volume_molar": 4.9177484250779315,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5529059672413794,
"spacegroup": 1
},
{
"id": "jvasp-119723",
"created_at": "2022-09-04T14:38:36.922497Z",
"updated_at": "2022-09-04T14:38:36.922517Z",
"structure_string": "Li4 Ti2 Co4 O10\n1.0\n4.804819 -0.064564 1.672927\n1.771828 4.737695 0.626964\n-0.093454 -0.062438 7.700556\nLi Ti Co O\n4 2 4 10\ndirect\n0.104181 0.496182 0.793931 Li\n0.199441 -0.000537 0.598820 Li\n0.506685 0.512616 0.001400 Li\n0.795709 -0.002376 0.404886 Li\n0.683518 0.506008 0.611066 Ti\n-0.009148 0.003173 0.997980 Ti\n0.923609 0.486850 0.203030 Co\n0.608086 0.000505 0.791737 Co\n0.297037 0.495517 0.389644 Co\n0.383286 0.015970 0.216579 Co\n0.933672 0.732942 0.598207 O\n0.149867 0.762743 0.185722 O\n0.036471 0.254003 0.417135 O\n0.346218 0.748726 0.798493 O\n0.547609 0.734970 0.407927 O\n0.668890 0.244439 0.185686 O\n0.250979 0.228423 -0.004704 O\n0.464542 0.264166 0.595850 O\n0.757933 0.762076 0.005752 O\n0.851427 0.253604 0.800860 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Co",
"O"
],
"chemical_system": "Co-Li-O-Ti",
"density": 4.8732925304778885,
"density_atomic": 0.11304411778396384,
"volume": 176.92207601833442,
"volume_molar": 5.327248226669151,
"formula_full": "Li4 Ti2 Co4 O10",
"formula_reduced": "Li2TiCo2O5",
"formula_anonymous": "AB2C2D5",
"energy_above_hull": 2.6543847633333337,
"spacegroup": 1
},
{
"id": "jvasp-119746",
"created_at": "2022-09-04T14:38:36.997307Z",
"updated_at": "2022-09-04T14:38:36.997325Z",
"structure_string": "Na3 Li3 Mn2 P2 C2 O14\n1.0\n8.820120 0.352744 0.153901\n0.778939 6.603961 -0.168261\n-0.014373 -0.052038 5.124411\nNa Li Mn P C O\n3 3 2 2 2 14\ndirect\n0.090452 0.161957 0.691662 Na\n0.230715 0.545562 0.255413 Na\n0.759267 0.468004 0.740347 Na\n0.307125 0.088973 0.197089 Li\n0.703160 0.918681 0.796369 Li\n0.899342 0.851630 0.315473 Li\n0.361730 0.767539 0.787668 Mn\n0.650626 0.227267 0.212692 Mn\n0.578623 0.744895 0.292261 P\n0.429748 0.255123 0.709415 P\n0.025242 0.766304 0.781796 C\n0.964535 0.226334 0.216942 C\n0.876706 0.180152 0.410061 O\n0.679360 0.900659 0.190459 O\n0.654086 0.533437 0.188428 O\n0.575275 0.752326 0.597417 O\n0.599396 0.206270 0.796136 O\n0.409751 0.799036 0.200520 O\n0.104790 0.250249 0.262917 O\n0.349756 0.462719 0.822973 O\n0.337500 0.091676 0.811574 O\n0.138665 0.793979 0.623635 O\n0.044226 0.762759 0.029572 O\n0.906398 0.241137 -0.010372 O\n0.429266 0.253684 0.404208 O\n0.894264 0.749633 0.675340 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.849266973774149,
"density_atomic": 0.08753935212203293,
"volume": 297.00928062336,
"volume_molar": 6.879352672846978,
"formula_full": "Na3 Li3 Mn2 P2 C2 O14",
"formula_reduced": "Na3Li3Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E3F14",
"energy_above_hull": 2.883021980106101,
"spacegroup": 1
},
{
"id": "jvasp-110950",
"created_at": "2022-09-04T14:38:37.388250Z",
"updated_at": "2022-09-04T14:38:37.388264Z",
"structure_string": "Zn1 In3 As1 Se4\n1.0\n5.357339 -0.008737 2.391064\n2.645693 6.561758 1.225675\n-0.006884 -0.007961 7.218725\nZn In As Se\n1 3 1 4\ndirect\n0.978844 0.009681 0.002028 Zn\n0.401141 0.392016 0.804956 In\n0.613808 0.598803 0.194922 In\n0.807308 0.802148 0.597876 In\n0.421076 0.719609 0.904750 As\n0.622309 0.930838 0.300695 Se\n0.891923 0.108494 0.680971 Se\n0.062131 0.273176 0.126516 Se\n0.251464 0.465234 0.487283 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Zn",
"In",
"As",
"Se"
],
"chemical_system": "As-In-Se-Zn",
"density": 5.233287963215026,
"density_atomic": 0.0354273864264065,
"volume": 254.04075512868408,
"volume_molar": 16.998546512906973,
"formula_full": "Zn1 In3 As1 Se4",
"formula_reduced": "ZnIn3AsSe4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.577849502962963,
"spacegroup": 1
}
]
}