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{
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"results": [
{
"id": "jvasp-2601",
"created_at": "2022-09-04T14:36:56.725470Z",
"updated_at": "2022-09-04T14:36:56.725502Z",
"structure_string": "Li2 Pd1 O2\n1.0\n2.895961 -0.000002 -0.855194\n-0.392812 3.468576 -1.330082\n-0.038970 -0.022556 5.198706\nLi Pd O\n2 1 2\ndirect\n0.699769 0.699759 0.399517 Li\n0.300232 0.300242 0.600486 Li\n0.000000 0.000000 0.000000 Pd\n0.651074 0.151075 0.302158 O\n0.348927 0.848926 0.697844 O\n",
"nsites": 5,
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"elements": [
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"volume": 52.01021718535781,
"volume_molar": 6.264256976967916,
"formula_full": "Li2 Pd1 O2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 71
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{
"id": "jvasp-92801",
"created_at": "2022-09-04T14:36:34.263732Z",
"updated_at": "2022-09-04T14:36:34.263756Z",
"structure_string": "Li2 Pd1 O2\n1.0\n2.895961 -0.000002 -0.855194\n-0.392812 3.468576 -1.330082\n-0.038970 -0.022556 5.198706\nLi Pd O\n2 1 2\ndirect\n0.699769 0.699759 0.399517 Li\n0.300232 0.300242 0.600486 Li\n0.000000 0.000000 0.000000 Pd\n0.651074 0.151075 0.302158 O\n0.348927 0.848926 0.697844 O\n",
"nsites": 5,
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"elements": [
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],
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"density": 4.862533593603824,
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"volume": 52.01021718535781,
"volume_molar": 6.264256976967916,
"formula_full": "Li2 Pd1 O2",
"formula_reduced": "Li2PdO2",
"formula_anonymous": "AB2C2",
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"spacegroup": 71
},
{
"id": "jvasp-31312",
"created_at": "2022-09-04T14:38:33.998785Z",
"updated_at": "2022-09-04T14:38:33.998806Z",
"structure_string": "Rb2 Li14 Pb3 O14\n1.0\n6.574561 0.000000 -3.166436\n-1.825541 6.808078 -3.790420\n0.018112 0.003405 8.446299\nRb Li Pb O\n2 14 3 14\ndirect\n0.231743 0.500000 -0.000000 Rb\n0.768257 0.500000 -0.000000 Rb\n0.138621 0.709924 0.731967 Li\n0.861379 0.977959 0.268034 Li\n0.593345 0.022042 0.731966 Li\n0.500000 0.841469 -0.000000 Li\n0.500000 0.158531 -0.000000 Li\n0.768536 0.413907 0.537072 Li\n0.231464 0.586094 0.462928 Li\n0.231464 0.876836 0.462928 Li\n0.768536 0.123165 0.537072 Li\n0.593345 0.709924 0.731966 Li\n0.861379 0.290077 0.268034 Li\n0.406655 0.977959 0.268034 Li\n0.138621 0.022042 0.731966 Li\n0.406655 0.290077 0.268034 Li\n0.727382 0.727383 0.454764 Pb\n0.000000 0.000000 0.000000 Pb\n0.272618 0.272618 0.545236 Pb\n0.044854 0.751375 0.502749 O\n0.542104 0.248626 0.497251 O\n0.955145 0.248626 0.497251 O\n0.457896 0.751375 0.502749 O\n0.702886 -0.000000 -0.000000 O\n0.297114 -0.000000 -0.000000 O\n0.873081 0.682779 0.746163 O\n0.126919 0.317222 0.253837 O\n0.126919 0.936615 0.253837 O\n0.873081 0.063386 0.746163 O\n0.627899 0.408358 0.255797 O\n0.372101 0.591642 0.744203 O\n0.372101 0.152561 0.744203 O\n0.627899 0.847440 0.255797 O\n",
"nsites": 33,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Pb",
"O"
],
"chemical_system": "Li-O-Pb-Rb",
"density": 4.885306437502458,
"density_atomic": 0.08717419897489999,
"volume": 378.5523743040262,
"volume_molar": 6.9081687366395546,
"formula_full": "Rb2 Li14 Pb3 O14",
"formula_reduced": "Rb2Li14Pb3O14",
"formula_anonymous": "A2B3C14D14",
"energy_above_hull": 1.6014991351515149,
"spacegroup": 71
},
{
"id": "jvasp-12429",
"created_at": "2022-09-04T14:37:17.991190Z",
"updated_at": "2022-09-04T14:37:17.991212Z",
"structure_string": "Li4 Pb2 O6\n1.0\n5.323046 -0.035439 -0.958283\n-2.893469 4.468100 -0.958283\n0.031892 0.058186 5.494967\nLi Pb O\n4 2 6\ndirect\n0.256760 0.743241 0.750001 Li\n0.743241 0.256760 0.250001 Li\n0.581512 0.418489 0.750001 Li\n0.418488 0.581512 0.250001 Li\n0.089359 0.910641 0.250001 Pb\n0.910641 0.089360 0.750001 Pb\n-0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500001 O\n0.672583 0.833870 0.992700 O\n0.166130 0.327418 0.507302 O\n0.327418 0.166130 0.007302 O\n0.833870 0.672583 0.492699 O\n",
"nsites": 12,
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"elements": [
"Li",
"Pb",
"O"
],
"chemical_system": "Li-O-Pb",
"density": 6.836050699009803,
"density_atomic": 0.09179640768698721,
"volume": 130.7240697361307,
"volume_molar": 6.56032290559196,
"formula_full": "Li4 Pb2 O6",
"formula_reduced": "Li2PbO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.3727218866666666,
"spacegroup": 15
},
{
"id": "jvasp-12435",
"created_at": "2022-09-04T14:37:17.784860Z",
"updated_at": "2022-09-04T14:37:17.784889Z",
"structure_string": "Li8 Pb1 O6\n1.0\n4.962819 0.010404 3.632939\n1.848588 4.605692 3.632939\n0.015352 0.010404 6.150413\nLi Pb O\n8 1 6\ndirect\n0.350429 0.350428 0.350429 Li\n0.491932 0.100883 0.771474 Li\n0.771474 0.491931 0.100884 Li\n0.100884 0.771473 0.491932 Li\n0.508068 0.899115 0.228527 Li\n0.228527 0.508067 0.899116 Li\n0.649572 0.649570 0.649572 Li\n0.899117 0.228525 0.508068 Li\n0.000000 0.000000 0.000000 Pb\n0.242549 0.900383 0.602844 O\n0.099616 0.397156 0.757452 O\n0.757452 0.099615 0.397157 O\n0.602844 0.242547 0.900385 O\n0.900385 0.602842 0.242549 O\n0.397157 0.757451 0.099616 O\n",
"nsites": 15,
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"elements": [
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],
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"density": 4.252123774632767,
"density_atomic": 0.10707476788014794,
"volume": 140.08902654629108,
"volume_molar": 5.624238911954277,
"formula_full": "Li8 Pb1 O6",
"formula_reduced": "Li8PbO6",
"formula_anonymous": "AB6C8",
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"spacegroup": 148
},
{
"id": "jvasp-12409",
"created_at": "2022-09-04T14:37:17.653585Z",
"updated_at": "2022-09-04T14:37:17.653605Z",
"structure_string": "Li8 Pb2 O8\n1.0\n5.518846 -0.061733 -0.000000\n-0.776468 5.464300 0.000000\n-0.000000 -0.000000 6.590191\nLi Pb O\n8 2 8\ndirect\n0.153571 0.846429 0.500000 Li\n0.846430 0.153571 0.000000 Li\n0.889899 0.597243 0.250000 Li\n0.110101 0.402757 0.750000 Li\n0.597243 0.889899 0.250000 Li\n0.402757 0.110101 0.750000 Li\n0.153571 0.846429 0.000000 Li\n0.846430 0.153571 0.500000 Li\n0.357464 0.357464 0.250000 Pb\n0.642536 0.642536 0.750000 Pb\n0.286729 0.740305 0.750000 O\n0.793191 0.793191 0.023803 O\n0.206809 0.206809 0.523803 O\n0.793191 0.793191 0.476197 O\n0.206809 0.206809 0.976196 O\n0.259695 0.713271 0.250000 O\n0.740306 0.286730 0.750000 O\n0.713271 0.259695 0.250000 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Pb",
"O"
],
"chemical_system": "Li-O-Pb",
"density": 5.003853044286851,
"density_atomic": 0.0907157195001539,
"volume": 198.4220606878333,
"volume_molar": 6.6384754408410815,
"formula_full": "Li8 Pb2 O8",
"formula_reduced": "Li4PbO4",
"formula_anonymous": "AB4C4",
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"spacegroup": 63
},
{
"id": "jvasp-99800",
"created_at": "2022-09-04T14:36:10.193925Z",
"updated_at": "2022-09-04T14:36:10.193952Z",
"structure_string": "Li1 Pa1 O3\n1.0\n4.342858 0.000000 0.000000\n-0.000000 4.342858 -0.000000\n0.000000 0.000000 4.342858\nLi Pa O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Pa\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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"Pa",
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],
"chemical_system": "Li-O-Pa",
"density": 5.797628719848352,
"density_atomic": 0.061044018655770575,
"volume": 81.90810680723988,
"volume_molar": 9.865242971566254,
"formula_full": "Li1 Pa1 O3",
"formula_reduced": "LiPaO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.08680872,
"spacegroup": 221
},
{
"id": "jvasp-35203",
"created_at": "2022-09-04T14:38:09.529033Z",
"updated_at": "2022-09-04T14:38:09.529053Z",
"structure_string": "Li8 P4 O14\n1.0\n5.489584 -0.022955 0.001954\n-0.862439 5.677765 -0.030198\n-1.308957 -2.539527 9.451671\nLi P O\n8 4 14\ndirect\n0.195451 0.894270 0.193795 Li\n0.804548 0.105731 0.806204 Li\n0.589130 0.315197 0.420234 Li\n0.410869 0.684804 0.579765 Li\n0.697810 0.760808 0.302044 Li\n0.302189 0.239193 0.697955 Li\n0.694929 0.688723 0.000133 Li\n0.305070 0.311279 -0.000134 Li\n0.968459 0.777149 0.569122 P\n0.031540 0.222852 0.430877 P\n0.833346 0.291294 0.131380 P\n0.166653 0.708707 0.868619 P\n0.057279 0.759180 0.003930 O\n0.694772 0.669325 0.485470 O\n0.305227 0.330676 0.514529 O\n0.327778 0.979284 0.875067 O\n0.672220 0.020717 0.124932 O\n0.942720 0.240821 0.996069 O\n0.043088 0.369403 0.263125 O\n0.535902 0.025091 0.247663 O\n0.353278 0.533097 0.866741 O\n0.646721 0.466904 0.133259 O\n0.956910 0.630597 0.736874 O\n0.033243 0.957053 0.345973 O\n0.464097 0.974910 0.752336 O\n0.966755 0.042948 0.654027 O\n",
"nsites": 26,
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"elements": [
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],
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"density": 2.2784855814437437,
"density_atomic": 0.0884339190607398,
"volume": 294.004837466744,
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"formula_full": "Li8 P4 O14",
"formula_reduced": "Li4P2O7",
"formula_anonymous": "A2B4C7",
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"spacegroup": 2
},
{
"id": "jvasp-35169",
"created_at": "2022-09-04T14:37:34.390933Z",
"updated_at": "2022-09-04T14:37:34.390963Z",
"structure_string": "Li8 P1 O3\n1.0\n4.973350 -0.000000 0.000000\n0.000000 4.973350 0.000000\n0.000000 0.000000 4.973350\nLi P O\n8 1 3\ndirect\n0.266892 0.266892 0.266892 Li\n0.733108 0.733108 0.266892 Li\n0.733108 0.266892 0.733108 Li\n0.266892 0.733108 0.733108 Li\n0.266892 0.266892 0.733108 Li\n0.733108 0.733108 0.733108 Li\n0.733108 0.266892 0.266892 Li\n0.266892 0.733108 0.266892 Li\n0.000000 0.000000 0.000000 P\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 12,
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],
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"density_atomic": 0.0975515500599682,
"volume": 123.01188441007037,
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"formula_full": "Li8 P1 O3",
"formula_reduced": "Li8PO3",
"formula_anonymous": "AB3C8",
"energy_above_hull": 1.4821805,
"spacegroup": 221
},
{
"id": "jvasp-34903",
"created_at": "2022-09-04T14:37:07.196141Z",
"updated_at": "2022-09-04T14:37:07.196166Z",
"structure_string": "Li8 P4 O14\n1.0\n-5.190008 0.002372 -0.001450\n2.561606 6.626573 0.034622\n-0.004314 -2.047300 -8.287765\nLi P O\n8 4 14\ndirect\n0.252791 0.145080 0.012736 Li\n0.747208 0.854919 0.987264 Li\n0.605297 0.583303 0.241976 Li\n0.394702 0.416696 0.758023 Li\n0.975011 0.325211 0.211262 Li\n0.024987 0.674788 0.788737 Li\n0.949770 0.246190 0.552282 Li\n0.050229 0.753809 0.447718 Li\n0.782789 0.225005 0.848506 P\n0.217210 0.774994 0.151493 P\n0.430180 0.213826 0.371328 P\n0.569818 0.786174 0.628671 P\n0.319594 0.271756 0.532097 O\n0.731347 0.040726 0.682143 O\n0.268651 0.959273 0.317857 O\n0.340323 0.296980 0.237652 O\n0.659675 0.703019 0.762348 O\n0.680405 0.728243 0.467903 O\n0.484837 0.737418 0.121887 O\n0.259796 0.743125 0.620694 O\n0.119781 0.849201 0.015589 O\n0.008388 0.401980 0.795985 O\n0.991610 0.598020 0.204014 O\n0.880218 0.150798 0.984410 O\n0.740203 0.256874 0.379306 O\n0.515162 0.262581 0.878113 O\n",
"nsites": 26,
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"elements": [
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],
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"volume": 284.72258330517894,
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"formula_full": "Li8 P4 O14",
"formula_reduced": "Li4P2O7",
"formula_anonymous": "A2B4C7",
"energy_above_hull": 2.227340423076923,
"spacegroup": 2
},
{
"id": "jvasp-21935",
"created_at": "2022-09-04T14:37:29.092839Z",
"updated_at": "2022-09-04T14:37:29.092862Z",
"structure_string": "Li6 P2 O8\n1.0\n4.850096 0.000000 0.000000\n0.000000 5.227208 0.000000\n0.000000 0.000000 6.095278\nLi P O\n6 2 8\ndirect\n0.509599 0.840818 0.000000 Li\n0.009599 0.159182 0.500000 Li\n0.508770 0.327793 0.252661 Li\n0.008769 0.672207 0.247339 Li\n0.008769 0.672207 0.752661 Li\n0.508770 0.327793 0.747340 Li\n0.501287 0.825626 0.500000 P\n0.001286 0.174374 0.000000 P\n0.107923 0.313961 0.790665 O\n0.603681 0.107738 0.500000 O\n0.180951 0.820297 0.500000 O\n0.680951 0.179703 0.000000 O\n0.607923 0.686039 0.290665 O\n0.107923 0.313961 0.209335 O\n0.103680 0.892263 0.000000 O\n0.607923 0.686039 0.709335 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Li-O-P",
"density": 2.488587254400712,
"density_atomic": 0.10353956780536223,
"volume": 154.53029541399508,
"volume_molar": 5.8162699416716315,
"formula_full": "Li6 P2 O8",
"formula_reduced": "Li3PO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.8194099375,
"spacegroup": 31
},
{
"id": "jvasp-13272",
"created_at": "2022-09-04T14:38:17.379008Z",
"updated_at": "2022-09-04T14:38:17.379028Z",
"structure_string": "Li7 Os1 O6\n1.0\n5.304765 -0.004606 0.002790\n-2.643068 4.703320 -0.005795\n-2.529389 -1.527985 4.987132\nLi Os O\n7 1 6\ndirect\n0.383792 0.857081 0.622111 Li\n0.742694 0.359008 0.045289 Li\n0.851345 0.761115 0.345788 Li\n0.149992 0.256699 0.626670 Li\n0.292329 0.633977 0.996964 Li\n0.594742 0.103994 0.359540 Li\n0.700163 0.506967 0.617288 Li\n0.003643 0.010027 0.001405 Os\n0.152284 0.780033 0.229752 O\n0.545008 0.632195 0.794962 O\n0.116286 0.901181 0.739742 O\n0.855084 0.090276 0.238663 O\n0.470972 0.373434 0.223858 O\n0.839651 0.235004 0.758972 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
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],
"chemical_system": "Li-O-Os",
"density": 4.470451198932205,
"density_atomic": 0.1125712440003228,
"volume": 124.36568614236737,
"volume_molar": 5.349626197595126,
"formula_full": "Li7 Os1 O6",
"formula_reduced": "Li7OsO6",
"formula_anonymous": "AB6C7",
"energy_above_hull": 2.097089,
"spacegroup": 1
}
]
}