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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=206",
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"results": [
{
"id": "jvasp-48295",
"created_at": "2022-09-04T14:36:31.792529Z",
"updated_at": "2022-09-04T14:36:31.792549Z",
"structure_string": "Li1 Mn1 P3 H1 O10\n1.0\n4.660981 4.100991 -0.018650\n-4.660981 4.100991 0.018650\n-2.703889 0.000000 5.875068\nLi Mn P H O\n1 1 3 1 10\ndirect\n-0.110124 -0.110124 0.500000 Li\n0.679373 0.679373 -0.000000 Mn\n0.202683 0.560661 0.088634 P\n0.580768 0.580768 0.500000 P\n0.560661 0.202683 0.911366 P\n0.230922 0.230922 0.000000 H\n0.357236 0.673249 0.937732 O\n0.699550 0.990655 -0.001285 O\n0.618939 0.754574 0.628206 O\n0.326187 0.595520 0.339255 O\n0.305865 0.166869 0.877747 O\n0.166869 0.305865 0.122253 O\n0.595520 0.326187 0.660745 O\n0.754574 0.618939 0.371794 O\n0.990655 0.699550 0.001285 O\n0.673249 0.357236 0.062268 O\n",
"nsites": 16,
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"elements": [
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"density_atomic": 0.07136930075297902,
"volume": 224.186027202069,
"volume_molar": 8.437998826475303,
"formula_full": "Li1 Mn1 P3 H1 O10",
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{
"id": "jvasp-104138",
"created_at": "2022-09-04T14:36:32.926348Z",
"updated_at": "2022-09-04T14:36:32.926381Z",
"structure_string": "H20 C28 O2\n1.0\n5.800296 -0.017765 -1.532290\n-3.200717 6.410135 -0.452043\n0.051199 -0.183795 11.939579\nH C O\n20 28 2\ndirect\n0.693264 0.545686 0.766372 H\n0.302667 0.720294 0.165827 H\n0.302660 0.220291 0.665825 H\n0.550933 0.967797 0.912420 H\n0.829186 0.152940 0.786354 H\n0.829186 0.652937 0.286351 H\n0.083123 0.905042 0.039572 H\n0.083118 0.405042 0.539571 H\n0.680765 0.583147 0.931845 H\n0.680760 0.083145 0.431845 H\n0.550937 0.467798 0.412421 H\n0.793773 0.327502 0.185722 H\n0.089144 0.488891 0.912466 H\n0.089137 0.988885 0.412466 H\n0.100473 0.384309 0.039702 H\n0.100469 0.884304 0.539702 H\n0.578266 0.289725 0.020239 H\n0.578265 0.789726 0.520241 H\n0.693273 0.045687 0.266373 H\n0.793766 0.827504 0.685725 H\n0.170967 0.373780 0.291516 C\n0.170961 0.873780 0.791516 C\n0.462412 0.125725 0.541693 C\n0.462417 0.625728 0.041694 C\n0.694954 0.444571 0.694411 C\n0.694961 0.944573 0.194412 C\n0.472429 0.759440 0.136956 C\n0.408355 0.190686 0.945234 C\n0.472422 0.259438 0.636955 C\n0.392802 0.508947 0.385875 C\n0.392799 0.008946 0.885875 C\n0.207572 0.247338 0.910437 C\n0.408355 0.690686 0.445234 C\n0.207571 0.747336 0.410437 C\n0.910465 0.363982 0.566159 C\n0.918214 0.499236 0.660520 C\n0.968525 0.928547 0.757678 C\n0.968530 0.428546 0.257676 C\n0.684957 0.682265 0.006851 C\n0.684952 0.182264 0.506851 C\n0.988623 0.113703 0.815183 C\n0.988625 0.613702 0.315181 C\n0.910471 0.863983 0.066159 C\n0.207791 0.436566 0.976078 C\n0.207786 0.936562 0.476077 C\n0.167421 0.186494 0.225999 C\n0.167414 0.686494 0.725999 C\n0.918222 0.999237 0.160521 C\n0.374524 0.686471 0.725975 O\n0.374532 0.186472 0.225976 O\n",
"nsites": 50,
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"elements": [
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"C",
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],
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"density": 1.4581886564203395,
"density_atomic": 0.11302940641379838,
"volume": 442.36275838653,
"volume_molar": 5.327941595971108,
"formula_full": "H20 C28 O2",
"formula_reduced": "H10C14O",
"formula_anonymous": "AB10C14",
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"spacegroup": 5
},
{
"id": "jvasp-12017",
"created_at": "2022-09-04T14:36:33.557384Z",
"updated_at": "2022-09-04T14:36:33.557402Z",
"structure_string": "Nb2 Br4 O2\n1.0\n3.779407 0.000035 -1.067599\n-0.506777 6.824434 -1.793937\n0.009117 -0.028379 7.254380\nNb Br O\n2 4 2\ndirect\n0.012465 0.714940 0.999222 Nb\n0.013243 0.285055 0.000773 Nb\n0.916846 0.930999 0.733674 Br\n0.888421 0.415333 0.686459 Br\n0.201903 0.584669 0.313540 Br\n0.183123 0.068999 0.266326 Br\n0.537191 0.721235 0.997581 O\n0.539609 0.278766 0.002422 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nb",
"Br",
"O"
],
"chemical_system": "Br-Nb-O",
"density": 4.773163593164642,
"density_atomic": 0.042788520988359266,
"volume": 186.96603236593342,
"volume_molar": 14.074197053079587,
"formula_full": "Nb2 Br4 O2",
"formula_reduced": "NbBr2O",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5267277775,
"spacegroup": 5
},
{
"id": "jvasp-99967",
"created_at": "2022-09-04T14:36:34.313063Z",
"updated_at": "2022-09-04T14:36:34.313092Z",
"structure_string": "Li1 U1 I6\n1.0\n7.200155 -0.135110 1.289092\n-3.808133 6.112169 1.289092\n-0.099541 -0.175400 7.239512\nLi U I\n1 1 6\ndirect\n0.853982 0.146018 0.500000 Li\n-0.001069 0.001069 -0.000000 U\n0.253326 0.258178 0.238561 I\n0.741823 0.746674 0.761438 I\n0.070365 0.404321 0.747420 I\n0.399880 0.079982 0.750322 I\n0.920018 0.600121 0.249677 I\n0.595680 0.929636 0.252579 I\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "I-Li-U",
"density": 5.252475722441935,
"density_atomic": 0.025144078637822337,
"volume": 318.16636096445404,
"volume_molar": 23.950532635311394,
"formula_full": "Li1 U1 I6",
"formula_reduced": "LiUI6",
"formula_anonymous": "ABC6",
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"spacegroup": 5
},
{
"id": "jvasp-102333",
"created_at": "2022-09-04T14:36:35.636308Z",
"updated_at": "2022-09-04T14:36:35.636323Z",
"structure_string": "K2 Fe2 Se2 S2\n1.0\n6.473015 0.006946 1.392833\n-3.327996 5.551974 1.392833\n0.000622 0.001099 5.466757\nK Fe Se S\n2 2 2 2\ndirect\n0.359434 0.640566 0.500000 K\n0.638035 0.361965 -0.000001 K\n0.003063 0.996936 0.500000 Fe\n0.007173 0.992825 -0.000000 Fe\n0.088701 0.318405 0.145040 Se\n0.681595 0.911298 0.854960 Se\n0.922864 0.700867 0.348732 S\n0.299133 0.077136 0.651268 S\n",
"nsites": 8,
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"elements": [
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"Se",
"S"
],
"chemical_system": "Fe-K-S-Se",
"density": 3.4798471523515246,
"density_atomic": 0.04069777607911127,
"volume": 196.57093754825874,
"volume_molar": 14.797223190509794,
"formula_full": "K2 Fe2 Se2 S2",
"formula_reduced": "KFeSeS",
"formula_anonymous": "ABCD",
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"spacegroup": 5
},
{
"id": "jvasp-102198",
"created_at": "2022-09-04T14:36:35.784795Z",
"updated_at": "2022-09-04T14:36:35.784819Z",
"structure_string": "Li3 Er1 Br6\n1.0\n6.701156 -0.014708 1.146621\n-3.626047 5.635379 1.146621\n0.009561 0.017476 6.760474\nLi Er Br\n3 1 6\ndirect\n0.671886 0.328114 -0.000000 Li\n0.332751 0.667249 -0.000000 Li\n0.838257 0.161744 0.499999 Li\n0.002120 0.997880 -0.000000 Er\n0.423650 0.081348 0.760003 Br\n0.074946 0.408720 0.747642 Br\n0.591280 0.925054 0.252357 Br\n0.918653 0.576351 0.239996 Br\n0.741980 0.750523 0.755807 Br\n0.249478 0.258020 0.244192 Br\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Br-Er-Li",
"density": 4.352375163715536,
"density_atomic": 0.03926648732038488,
"volume": 254.67009356878685,
"volume_molar": 15.336591508336053,
"formula_full": "Li3 Er1 Br6",
"formula_reduced": "Li3ErBr6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.1759674630000001,
"spacegroup": 5
},
{
"id": "jvasp-57496",
"created_at": "2022-09-04T14:36:35.804298Z",
"updated_at": "2022-09-04T14:36:35.804320Z",
"structure_string": "Ge4 Pb1 O9\n1.0\n4.589984 0.000877 -1.070866\n-2.285963 5.820709 -2.883362\n-0.005559 -0.002899 6.886219\nGe Pb O\n4 1 9\ndirect\n0.500000 0.487387 0.512613 Ge\n0.679991 0.486945 0.069132 Ge\n0.000000 0.307910 0.692090 Ge\n0.320009 0.930868 0.513055 Ge\n-0.000000 -0.002985 0.002985 Pb\n0.605239 0.091497 0.456557 O\n0.394761 0.543443 0.908504 O\n0.840570 0.285411 0.922441 O\n0.866188 0.555183 0.713614 O\n0.159429 0.077559 0.714590 O\n0.133812 0.286386 0.444817 O\n0.513299 0.375437 0.227758 O\n0.000000 0.756119 0.243881 O\n0.486701 0.772242 0.624564 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Ge-O-Pb",
"density": 5.794376610083843,
"density_atomic": 0.07612313523613153,
"volume": 183.9125511130414,
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"formula_full": "Ge4 Pb1 O9",
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"formula_anonymous": "AB4C9",
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"spacegroup": 5
},
{
"id": "jvasp-47515",
"created_at": "2022-09-04T14:36:36.552683Z",
"updated_at": "2022-09-04T14:36:36.552710Z",
"structure_string": "Li4 Mn1 Si2 O7\n1.0\n0.000000 4.511799 0.000000\n-4.736958 2.255900 0.114819\n-1.174497 -0.000000 6.746698\nLi Mn Si O\n4 1 2 7\ndirect\n0.165603 0.701161 0.438316 Li\n0.718361 0.575980 0.148571 Li\n0.294341 0.424021 0.851430 Li\n0.866763 0.298840 0.561684 Li\n0.999048 0.000000 -0.000000 Mn\n0.567823 0.846835 0.709500 Si\n0.414658 0.153166 0.290500 Si\n0.342882 0.892183 0.231340 O\n0.864057 0.724150 0.890046 O\n0.496583 0.588176 0.655497 O\n0.084759 0.411825 0.344504 O\n0.588206 0.275851 0.109955 O\n0.235066 0.107817 0.768660 O\n0.688850 0.000000 0.500000 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 2.9012938741285366,
"density_atomic": 0.09750433595304353,
"volume": 143.58335824923896,
"volume_molar": 6.176279958360173,
"formula_full": "Li4 Mn1 Si2 O7",
"formula_reduced": "Li4MnSi2O7",
"formula_anonymous": "AB2C4D7",
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{
"id": "jvasp-47558",
"created_at": "2022-09-04T14:36:36.926598Z",
"updated_at": "2022-09-04T14:36:36.926615Z",
"structure_string": "Li5 V1 Si2 O8\n1.0\n3.650179 3.727624 0.020021\n-3.650179 3.727624 -0.020021\n0.036223 0.000000 6.243222\nLi V Si O\n5 1 2 8\ndirect\n0.170478 0.798840 0.487706 Li\n0.696721 0.696721 0.750000 Li\n0.329641 0.329641 0.250000 Li\n0.680297 0.680297 0.250000 Li\n0.798840 0.170478 0.012294 Li\n0.322655 0.322656 0.750000 V\n0.168830 0.818291 0.007279 Si\n0.818290 0.168830 0.492721 Si\n0.303928 0.696634 0.216387 O\n0.303306 0.691996 0.781623 O\n0.138770 0.220491 0.506233 O\n0.799881 0.859231 0.500154 O\n0.220490 0.138771 0.993767 O\n0.859231 0.799881 -0.000154 O\n0.691995 0.303307 0.718376 O\n0.696634 0.303928 0.283613 O\n",
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"elements": [
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],
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"density_atomic": 0.09417784929915521,
"volume": 169.8913292145388,
"volume_molar": 6.394434365209081,
"formula_full": "Li5 V1 Si2 O8",
"formula_reduced": "Li5V(SiO4)2",
"formula_anonymous": "AB2C5D8",
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{
"id": "jvasp-99456",
"created_at": "2022-09-04T14:36:36.806145Z",
"updated_at": "2022-09-04T14:36:36.806167Z",
"structure_string": "Fe1 As2 O7\n1.0\n4.987710 0.075818 0.786701\n-0.978056 4.891463 0.786701\n0.032209 0.039901 4.695368\nFe As O\n1 2 7\ndirect\n0.889453 0.110548 -0.000000 Fe\n0.313194 0.260311 0.401973 As\n0.739688 0.686806 0.598027 As\n0.163648 0.029724 0.727431 O\n0.146691 0.358456 0.119371 O\n0.604612 0.137063 0.299310 O\n0.970275 0.836352 0.272569 O\n0.641543 0.853308 0.880629 O\n0.862937 0.395388 0.700690 O\n0.420507 0.579493 0.500000 O\n",
"nsites": 10,
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"formula_full": "Fe1 As2 O7",
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"spacegroup": 5
},
{
"id": "jvasp-52941",
"created_at": "2022-09-04T14:36:37.711988Z",
"updated_at": "2022-09-04T14:36:37.712000Z",
"structure_string": "Sr2 B5 H2 O11\n1.0\n4.021415 4.054197 -3.124082\n-4.021415 4.054197 3.124082\n0.016811 0.000000 6.378080\nSr B H O\n2 5 2 11\ndirect\n0.838086 0.243831 0.086048 Sr\n0.243831 0.838087 0.913951 Sr\n0.749860 0.897658 0.743962 B\n0.897658 0.749860 0.256038 B\n0.653373 0.653373 0.500000 B\n0.809460 0.336791 0.496091 B\n0.336790 0.809460 0.503909 B\n0.301481 0.373652 0.744883 H\n0.373652 0.301482 0.255117 H\n0.497522 0.911251 0.665483 O\n0.911251 0.497523 0.334516 O\n0.899464 0.899464 -0.000000 O\n0.799668 0.693057 0.737061 O\n0.401203 0.690197 0.416209 O\n0.108137 0.825012 0.450104 O\n0.825012 0.108137 0.549896 O\n0.690197 0.401203 0.583791 O\n0.386151 0.243313 0.916092 O\n0.693057 0.799668 0.262939 O\n0.243313 0.386151 0.083908 O\n",
"nsites": 20,
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"elements": [
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"formula_full": "Sr2 B5 H2 O11",
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{
"id": "jvasp-102438",
"created_at": "2022-09-04T14:36:37.860659Z",
"updated_at": "2022-09-04T14:36:37.860683Z",
"structure_string": "Sc1 F3\n1.0\n3.631746 0.586014 0.935863\n-0.814412 3.587440 0.935863\n-0.007797 -0.011550 3.928404\nSc F\n1 3\ndirect\n0.991844 0.008155 -0.000001 Sc\n0.866693 0.476015 0.158345 F\n0.523984 0.133307 0.841653 F\n0.117482 0.882518 0.499999 F\n",
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"elements": [
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}
]
}