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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=210",
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"results": [
{
"id": "jvasp-34002",
"created_at": "2022-09-04T14:38:36.597924Z",
"updated_at": "2022-09-04T14:38:36.597948Z",
"structure_string": "Te8 Mo6 S4\n1.0\n-0.343285 -5.924332 0.038155\n-0.059375 -0.090716 14.106100\n-4.963522 3.268475 0.000116\nTe Mo S\n8 6 4\ndirect\n0.670675 0.111226 0.695903 Te\n0.995989 0.888772 0.637436 Te\n0.995989 0.388774 0.358555 Te\n0.326122 0.877081 0.306252 Te\n0.326125 0.377084 0.019880 Te\n0.340539 0.122917 0.027080 Te\n0.340539 0.622919 0.313450 Te\n0.670681 0.611226 0.974771 Te\n0.333335 0.250000 0.374993 Mo\n0.684403 0.750888 0.659783 Mo\n0.684407 0.250887 0.024624 Mo\n0.982259 0.749112 0.308711 Mo\n0.982260 0.249112 0.673547 Mo\n0.333334 0.750000 0.958342 Mo\n0.662874 0.853254 0.974478 S\n0.003790 0.646746 0.644928 S\n0.003795 0.146743 0.358858 S\n0.662878 0.353256 0.688406 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.65102055159601,
"density_atomic": 0.041802103294352695,
"volume": 430.6003426012234,
"volume_molar": 14.4063104136044,
"formula_full": "Te8 Mo6 S4",
"formula_reduced": "Te4Mo3S2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.2878254185185183,
"spacegroup": 15
},
{
"id": "jvasp-22926",
"created_at": "2022-09-04T14:37:31.177542Z",
"updated_at": "2022-09-04T14:37:31.177561Z",
"structure_string": "Ba8 Tb4 Cd6 S20\n1.0\n4.173042 0.000000 -0.000000\n-2.086522 9.057908 -0.000000\n-0.000000 -0.000000 26.737411\nTb Ba Cd S\n4 8 6 20\ndirect\n0.079663 0.159326 0.253563 Tb\n0.496102 0.992203 0.499429 Tb\n0.920337 0.840675 0.753563 Tb\n0.503898 0.007797 0.999429 Tb\n0.160763 0.321527 0.390919 Ba\n0.839237 0.678474 0.890919 Ba\n0.163104 0.326208 0.110787 Ba\n0.836896 0.673792 0.610787 Ba\n0.575350 0.150701 0.655988 Ba\n0.424650 0.849299 0.155988 Ba\n0.405165 0.810331 0.339547 Ba\n0.594835 0.189669 0.839547 Ba\n0.155494 0.310990 0.543806 Cd\n0.844506 0.689011 0.043807 Cd\n0.162324 0.324647 0.961436 Cd\n0.837676 0.675353 0.461436 Cd\n0.217236 0.434472 0.732592 Cd\n0.782764 0.565528 0.232592 Cd\n0.989685 0.979370 0.070493 S\n0.576725 0.153452 0.321046 S\n0.983426 0.966851 0.432193 S\n0.423275 0.846548 0.821046 S\n0.590859 0.181718 0.184211 S\n0.409141 0.818283 0.684211 S\n0.650339 0.300679 0.488696 S\n0.349661 0.699321 0.988696 S\n0.655264 0.310528 0.018554 S\n0.344736 0.689472 0.518554 S\n0.768582 0.537163 0.768164 S\n0.231418 0.462837 0.268164 S\n0.787523 0.575047 0.376633 S\n0.212477 0.424954 0.876633 S\n0.792679 0.585358 0.131661 S\n0.207321 0.414642 0.631661 S\n0.927637 0.855275 0.247199 S\n0.072363 0.144726 0.747199 S\n0.016574 0.033149 0.932193 S\n0.010315 0.020631 0.570493 S\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Tb",
"Ba",
"Cd",
"S"
],
"chemical_system": "Ba-Cd-S-Tb",
"density": 5.0114199682613245,
"density_atomic": 0.0375996310703309,
"volume": 1010.6482143114703,
"volume_molar": 16.01648896164821,
"formula_full": "Ba8 Tb4 Cd6 S20",
"formula_reduced": "Ba4Tb2Cd3S10",
"formula_anonymous": "A2B3C4D10",
"energy_above_hull": 0.9094889436842106,
"spacegroup": 36
},
{
"id": "jvasp-47883",
"created_at": "2022-09-04T14:37:07.251509Z",
"updated_at": "2022-09-04T14:37:07.251538Z",
"structure_string": "Li4 Mn2 Ni3 O10\n1.0\n5.027103 0.004413 0.055797\n-0.962576 4.946080 -0.040393\n-2.391293 -2.054540 6.783140\nLi Mn Ni O\n4 2 3 10\ndirect\n0.083748 0.769426 0.591203 Li\n0.697525 0.598619 0.223321 Li\n0.302474 0.401381 0.776680 Li\n0.916252 0.230573 0.408798 Li\n0.297318 0.897989 0.308797 Mn\n0.702681 0.102010 0.691204 Mn\n0.500000 -0.000000 0.000000 Ni\n0.896162 0.697611 0.897531 Ni\n0.103838 0.302389 0.102469 Ni\n0.712270 0.320428 0.948488 O\n0.466530 0.222158 0.225961 O\n0.899728 0.438409 0.668539 O\n0.100271 0.561591 0.331461 O\n0.927309 0.939620 0.150996 O\n0.287729 0.679572 0.051512 O\n0.683485 0.889798 0.449165 O\n0.316515 0.110202 0.550836 O\n0.533469 0.777842 0.774040 O\n0.072691 0.060380 0.849005 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Ni",
"O"
],
"chemical_system": "Li-Mn-Ni-O",
"density": 4.653422602163342,
"density_atomic": 0.11239849926796003,
"volume": 169.04140289901613,
"volume_molar": 5.357848013293406,
"formula_full": "Li4 Mn2 Ni3 O10",
"formula_reduced": "Li4Mn2Ni3O10",
"formula_anonymous": "A2B3C4D10",
"energy_above_hull": 2.466536667513612,
"spacegroup": 2
},
{
"id": "jvasp-116867",
"created_at": "2022-09-04T14:38:45.402311Z",
"updated_at": "2022-09-04T14:38:45.402328Z",
"structure_string": "Li4 Mn2 Ni3 O10\n1.0\n4.701397 0.045974 -1.607255\n-1.326590 4.769151 -1.063739\n-0.016558 -0.115861 7.504504\nLi Mn Ni O\n4 2 3 10\ndirect\n0.087736 0.767478 0.591129 Li\n0.691732 0.595891 0.217482 Li\n0.308268 0.404108 0.782516 Li\n0.912264 0.232521 0.408869 Li\n0.295789 0.898048 0.308006 Mn\n0.704210 0.101951 0.691993 Mn\n0.500000 -0.000000 -0.000000 Ni\n0.896937 0.695129 0.896581 Ni\n0.103063 0.304870 0.103417 Ni\n0.712149 0.327065 0.946898 O\n0.464114 0.220161 0.232554 O\n0.898539 0.437939 0.669633 O\n0.101461 0.562060 0.330366 O\n0.913026 0.932913 0.143642 O\n0.287851 0.672934 0.053101 O\n0.687618 0.890872 0.450476 O\n0.312382 0.109127 0.549523 O\n0.535886 0.779837 0.767444 O\n0.086974 0.067085 0.856356 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Ni",
"O"
],
"chemical_system": "Li-Mn-Ni-O",
"density": 4.688725293410516,
"density_atomic": 0.11325119842201016,
"volume": 167.76864408268713,
"volume_molar": 5.317507314633068,
"formula_full": "Li4 Mn2 Ni3 O10",
"formula_reduced": "Li4Mn2Ni3O10",
"formula_anonymous": "A2B3C4D10",
"energy_above_hull": 2.465435088566243,
"spacegroup": 2
},
{
"id": "jvasp-45799",
"created_at": "2022-09-04T14:38:07.723094Z",
"updated_at": "2022-09-04T14:38:07.723104Z",
"structure_string": "Li4 Mn3 Fe2 O10\n1.0\n5.047435 0.015166 0.005048\n0.755249 4.925233 0.017227\n2.465704 2.101677 6.941813\nLi Mn Fe O\n4 3 2 10\ndirect\n0.495418 0.772890 0.432311 Li\n0.974558 0.494342 0.510620 Li\n0.496235 0.397231 0.217812 Li\n0.487899 0.201500 0.592244 Li\n0.504559 0.003176 0.000692 Mn\n0.004985 0.313889 0.895724 Mn\n0.006214 0.691539 0.108203 Mn\n-0.002454 0.899536 0.667365 Fe\n0.000736 0.105652 0.302666 Fe\n0.239070 0.147766 0.438442 O\n0.767155 0.215786 0.773697 O\n0.778602 0.450037 0.334599 O\n0.215512 0.534502 0.663437 O\n0.238455 0.968330 0.871711 O\n0.760698 0.876545 0.525269 O\n0.783216 0.641728 0.958846 O\n0.226392 0.354340 0.056910 O\n0.247618 0.777460 0.234061 O\n0.771859 0.049153 0.137351 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.475433907693381,
"density_atomic": 0.11030022215938114,
"volume": 172.25713265151418,
"volume_molar": 5.459772103902159,
"formula_full": "Li4 Mn3 Fe2 O10",
"formula_reduced": "Li4Mn3(FeO5)2",
"formula_anonymous": "A2B3C4D10",
"energy_above_hull": 2.9859783012704177,
"spacegroup": 1
},
{
"id": "jvasp-42515",
"created_at": "2022-09-04T14:37:56.569850Z",
"updated_at": "2022-09-04T14:37:56.569874Z",
"structure_string": "Li4 Fe2 Cu3 O10\n1.0\n5.017789 0.090060 0.077077\n-1.471491 5.002118 -0.132845\n-1.657772 -2.289933 6.970876\nLi Fe Cu O\n4 2 3 10\ndirect\n0.221463 0.914487 0.401406 Li\n0.395077 0.291279 0.773106 Li\n0.604924 0.708723 0.226896 Li\n0.778539 0.085515 0.598596 Li\n0.094897 0.680133 0.686078 Fe\n0.905105 0.319868 0.313924 Fe\n0.000000 0.500000 0.000000 Cu\n0.693197 0.876762 0.892088 Cu\n0.306804 0.123239 0.107914 Cu\n0.878894 0.674524 0.458041 O\n0.566382 0.102161 0.331377 O\n0.793492 0.475622 0.755539 O\n0.206510 0.524379 0.244462 O\n0.056468 0.021706 0.834417 O\n0.121108 0.325478 0.541961 O\n0.334216 0.660720 0.917073 O\n0.665786 0.339282 0.082928 O\n0.433620 0.897840 0.668625 O\n0.943533 0.978296 0.165585 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Cu",
"O"
],
"chemical_system": "Cu-Fe-Li-O",
"density": 4.642841987326604,
"density_atomic": 0.10839671235086171,
"volume": 175.28206887401006,
"volume_molar": 5.555648902438439,
"formula_full": "Li4 Fe2 Cu3 O10",
"formula_reduced": "Li4Fe2Cu3O10",
"formula_anonymous": "A2B3C4D10",
"energy_above_hull": 2.081422492105263,
"spacegroup": 2
},
{
"id": "jvasp-14187",
"created_at": "2022-09-04T14:37:56.653093Z",
"updated_at": "2022-09-04T14:37:56.653115Z",
"structure_string": "Na2 Cu3 Ge4 O12\n1.0\n5.556672 0.074047 -0.022569\n0.180238 6.352757 0.050947\n1.644641 0.273770 7.504306\nNa Cu Ge O\n2 3 4 12\ndirect\n0.090517 0.247754 0.596662 Na\n0.909482 0.752247 0.403338 Na\n0.508619 0.162749 0.819909 Cu\n0.491381 0.837252 0.180092 Cu\n0.000000 0.000000 0.000000 Cu\n0.245583 0.397666 0.178502 Ge\n0.754416 0.602335 0.821499 Ge\n0.693099 0.221669 0.371255 Ge\n0.306901 0.778332 0.628746 Ge\n0.237612 0.992491 0.775099 O\n0.935553 0.408247 0.315314 O\n0.587755 0.637689 0.641214 O\n0.412245 0.362312 0.358786 O\n0.733982 0.827237 0.952964 O\n0.291562 0.882690 0.414859 O\n0.717350 0.345284 0.914101 O\n0.282650 0.654717 0.085900 O\n0.762388 0.007510 0.224902 O\n0.708438 0.117311 0.585142 O\n0.266017 0.172764 0.047037 O\n0.064447 0.591754 0.684687 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Na",
"Cu",
"Ge",
"O"
],
"chemical_system": "Cu-Ge-Na-O",
"density": 4.5070218717859944,
"density_atomic": 0.0792552601466325,
"volume": 264.96664020971326,
"volume_molar": 7.598411447843662,
"formula_full": "Na2 Cu3 Ge4 O12",
"formula_reduced": "Na2Cu3(GeO3)4",
"formula_anonymous": "A2B3C4D12",
"energy_above_hull": 1.707088816666667,
"spacegroup": 2
},
{
"id": "jvasp-12045",
"created_at": "2022-09-04T14:38:13.094719Z",
"updated_at": "2022-09-04T14:38:13.094739Z",
"structure_string": "Mg3 Si4 H2 O12\n1.0\n2.611166 4.617393 -0.496358\n-2.643262 4.623501 0.385070\n-0.116415 -0.020447 9.430298\nMg Si H O\n3 4 2 12\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666650 0.666868 0.000225 Mg\n0.333349 0.333131 0.999775 Mg\n0.236081 0.754676 0.704474 Si\n0.763918 0.245324 0.295526 Si\n0.901962 0.421834 0.704472 Si\n0.098037 0.578165 0.295528 Si\n0.595993 0.065607 0.780919 H\n0.404007 0.934393 0.219081 H\n0.450810 0.360092 0.355701 O\n0.549189 0.639907 0.644299 O\n0.984602 0.894447 0.353276 O\n0.015397 0.105552 0.646724 O\n0.915573 0.428898 0.353444 O\n0.704990 0.298532 0.118841 O\n0.040516 0.630421 0.118808 O\n0.959483 0.369578 0.881192 O\n0.629355 0.033801 0.885839 O\n0.295009 0.701467 0.881159 O\n0.084426 0.571101 0.646556 O\n0.370644 0.966198 0.114161 O\n",
"nsites": 21,
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"elements": [
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"Si",
"H",
"O"
],
"chemical_system": "H-Mg-O-Si",
"density": 2.7565877182553695,
"density_atomic": 0.09191755618634279,
"volume": 228.4656040835886,
"volume_molar": 6.55167631718953,
"formula_full": "Mg3 Si4 H2 O12",
"formula_reduced": "Mg3Si4(HO6)2",
"formula_anonymous": "A2B3C4D12",
"energy_above_hull": 2.528289216666667,
"spacegroup": 2
},
{
"id": "jvasp-116825",
"created_at": "2022-09-04T14:38:45.490293Z",
"updated_at": "2022-09-04T14:38:45.490330Z",
"structure_string": "Li3 V2 C4 O12\n1.0\n4.944287 -0.013822 1.560300\n2.406969 5.637741 0.700112\n-0.022753 0.034297 8.527299\nLi V C O\n3 2 4 12\ndirect\n0.262399 0.524332 0.148120 Li\n0.163043 0.054202 0.333944 Li\n0.554941 0.933921 0.683700 Li\n0.887338 0.998375 0.997623 V\n0.630321 0.503692 0.508569 V\n0.742087 0.397101 0.207135 C\n0.722716 0.893962 0.299622 C\n0.917991 0.113304 0.705190 C\n0.332730 0.606684 0.793390 C\n0.695562 0.079477 0.810118 O\n0.242636 0.565550 0.678038 O\n0.598607 0.601180 0.747887 O\n0.908966 0.172293 0.554489 O\n0.618853 0.842834 0.450587 O\n0.982740 0.898205 0.241031 O\n0.959285 0.396793 0.255323 O\n0.567880 0.943696 0.195419 O\n0.135978 0.079242 0.759958 O\n0.762401 0.340302 0.063028 O\n0.489248 0.458359 0.318810 O\n0.167709 0.656962 0.943506 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Li",
"V",
"C",
"O"
],
"chemical_system": "C-Li-O-V",
"density": 2.528856884660134,
"density_atomic": 0.08816517726618804,
"volume": 238.18927893262054,
"volume_molar": 6.830520786929254,
"formula_full": "Li3 V2 C4 O12",
"formula_reduced": "Li3V2(CO3)4",
"formula_anonymous": "A2B3C4D12",
"energy_above_hull": 3.7701681142857137,
"spacegroup": 1
},
{
"id": "jvasp-97928",
"created_at": "2022-09-04T14:35:51.443436Z",
"updated_at": "2022-09-04T14:35:51.443461Z",
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{
"id": "jvasp-48201",
"created_at": "2022-09-04T14:37:58.607720Z",
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"structure_string": "Li3 Ni2 C4 O12\n1.0\n5.136547 0.073151 -0.006383\n-2.476089 5.419020 0.014749\n-0.041654 -0.039955 7.803893\nLi Ni C O\n3 2 4 12\ndirect\n0.291472 0.685407 0.060654 Li\n0.708485 0.321303 0.927430 Li\n0.800490 0.188844 0.446653 Li\n0.994334 0.999090 0.004664 Ni\n0.497250 0.508105 0.498687 Ni\n0.759532 0.891993 0.738949 C\n0.240820 0.386622 0.763240 C\n0.747107 0.604404 0.231221 C\n0.255781 0.110016 0.265899 C\n0.499751 0.404284 0.750328 O\n0.000274 0.103879 0.246988 O\n0.118174 0.361177 0.911588 O\n0.117149 0.405412 0.623377 O\n0.859044 0.560579 0.367924 O\n0.648356 0.862258 0.591037 O\n0.009678 0.897846 0.772178 O\n0.499356 0.611633 0.246143 O\n0.393528 0.156619 0.404890 O\n0.637255 0.934026 0.877075 O\n0.873425 0.635148 0.083934 O\n0.357790 0.061603 0.122364 O\n",
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{
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