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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4108",
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"results": [
{
"id": "jvasp-94414",
"created_at": "2022-09-04T14:36:02.176779Z",
"updated_at": "2022-09-04T14:36:02.176804Z",
"structure_string": "Ce1 Mg5\n1.0\n5.806108 0.000000 0.000000\n-2.903054 5.028237 -0.000000\n-0.000000 -0.000000 5.097505\nCe Mg\n1 5\ndirect\n0.000000 0.000000 0.500000 Ce\n0.610073 -0.000000 -0.000000 Mg\n0.389928 0.389927 0.000000 Mg\n0.000001 0.610073 0.000000 Mg\n0.666668 0.333333 0.500000 Mg\n0.333334 0.666667 0.500000 Mg\n",
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{
"id": "jvasp-10919",
"created_at": "2022-09-04T14:37:11.840037Z",
"updated_at": "2022-09-04T14:37:11.840052Z",
"structure_string": "Ca1 Cr2 F10\n1.0\n5.114720 -0.038047 1.911184\n1.094021 4.996492 1.911184\n-0.027920 -0.022298 7.407364\nCa Cr F\n1 2 10\ndirect\n0.458011 0.541988 0.250000 Ca\n0.010434 0.009527 0.991274 Cr\n0.990473 0.989565 0.508725 Cr\n0.811786 0.733193 0.625380 F\n0.266806 0.188213 0.874618 F\n0.175720 0.263554 0.377970 F\n0.736446 0.824280 0.122029 F\n0.924939 0.075060 0.749999 F\n0.079620 0.920379 0.250000 F\n0.762452 0.309297 0.038358 F\n0.690702 0.237548 0.461641 F\n0.244890 0.694192 0.978252 F\n0.305807 0.755109 0.521746 F\n",
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"elements": [
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{
"id": "jvasp-34199",
"created_at": "2022-09-04T14:37:07.490913Z",
"updated_at": "2022-09-04T14:37:07.490930Z",
"structure_string": "Rb2 C4 O4\n1.0\n4.458250 0.047975 0.232598\n0.248007 5.718639 2.593878\n0.118032 -0.091164 6.282576\nRb C O\n2 4 4\ndirect\n0.697623 0.655995 0.655995 Rb\n0.302377 0.344006 0.344006 Rb\n0.104854 0.158356 0.943372 C\n0.895147 0.056633 0.841644 C\n0.895146 0.841644 0.056629 C\n0.104852 0.943367 0.158357 C\n0.227331 0.351001 0.872850 O\n0.227334 0.872850 0.351000 O\n0.772666 0.127150 0.649001 O\n0.772669 0.649000 0.127151 O\n",
"nsites": 10,
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"elements": [
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"chemical_system": "C-O-Rb",
"density": 2.918462105486419,
"density_atomic": 0.06210911740938759,
"volume": 161.00695706373912,
"volume_molar": 9.696065587771132,
"formula_full": "Rb2 C4 O4",
"formula_reduced": "Rb(CO)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 12
},
{
"id": "jvasp-47654",
"created_at": "2022-09-04T14:36:59.613091Z",
"updated_at": "2022-09-04T14:36:59.613116Z",
"structure_string": "Li8 Fe2 Si4 O14\n1.0\n0.000000 5.403579 0.000000\n-6.641914 2.701790 0.063587\n-0.581060 0.000000 7.989488\nLi Fe Si O\n8 2 4 14\ndirect\n0.737189 0.847558 0.876214 Li\n0.415253 0.847558 0.376214 Li\n0.881736 0.585394 0.592850 Li\n0.532871 0.585394 0.092850 Li\n0.126305 0.445188 0.945810 Li\n0.428507 0.445188 0.445810 Li\n0.186858 0.994315 0.023287 Li\n0.818827 0.994315 0.523287 Li\n0.688317 0.299933 0.797369 Fe\n0.011751 0.299933 0.297369 Fe\n0.258155 0.148576 0.669961 Si\n0.593270 0.148576 0.169961 Si\n0.306765 0.726626 0.738622 Si\n0.966610 0.726626 0.238622 Si\n0.578965 0.088738 0.707528 O\n0.214034 0.943384 0.602301 O\n0.842583 0.943384 0.102301 O\n0.427129 0.781420 0.905535 O\n0.791453 0.781420 0.405535 O\n0.045557 0.670887 0.772129 O\n0.283556 0.670887 0.272129 O\n0.539651 0.550033 0.640628 O\n0.910318 0.550033 0.140628 O\n0.148263 0.330690 0.519455 O\n0.521049 0.330690 0.019455 O\n0.080482 0.218234 0.837997 O\n0.701284 0.218234 0.337997 O\n0.332298 0.088738 0.207528 O\n",
"nsites": 28,
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"elements": [
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],
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"density_atomic": 0.09771625641600606,
"volume": 286.5439285843697,
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"formula_full": "Li8 Fe2 Si4 O14",
"formula_reduced": "Li4FeSi2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.415701942857143,
"spacegroup": 9
},
{
"id": "jvasp-110659",
"created_at": "2022-09-04T14:38:37.411558Z",
"updated_at": "2022-09-04T14:38:37.411578Z",
"structure_string": "K2 Rb1 Y1 Br6\n1.0\n7.259742 0.000000 4.191414\n2.419914 6.844550 4.191414\n-0.000000 -0.000000 8.382828\nK Rb Y Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Y\n0.766431 0.233568 0.233568 Br\n0.233568 0.233568 0.766432 Br\n0.233568 0.766432 0.766432 Br\n0.233568 0.766432 0.233568 Br\n0.766431 0.233568 0.766431 Br\n0.766431 0.766432 0.233568 Br\n",
"nsites": 10,
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"elements": [
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"Rb",
"Y",
"Br"
],
"chemical_system": "Br-K-Rb-Y",
"density": 2.9180996902070917,
"density_atomic": 0.024007302095900924,
"volume": 416.53993272769407,
"volume_molar": 25.084621070471044,
"formula_full": "K2 Rb1 Y1 Br6",
"formula_reduced": "K2RbYBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-53273",
"created_at": "2022-09-04T14:38:29.351271Z",
"updated_at": "2022-09-04T14:38:29.351301Z",
"structure_string": "Cu2 C2 S2 N2\n1.0\n3.783844 0.019096 10.583023\n1.850763 3.300381 10.583023\n0.032415 0.019096 11.239074\nCu C S N\n2 2 2 2\ndirect\n0.000838 0.000838 0.000838 Cu\n0.500837 0.500839 0.500837 Cu\n0.093603 0.093603 0.093603 C\n0.593602 0.593604 0.593603 C\n0.143791 0.143791 0.143791 S\n0.643790 0.643792 0.643790 S\n0.558107 0.558109 0.558108 N\n0.058108 0.058108 0.058108 N\n",
"nsites": 8,
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"elements": [
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"S",
"N"
],
"chemical_system": "C-Cu-N-S",
"density": 2.917748808709721,
"density_atomic": 0.057786155320449666,
"volume": 138.4414650124494,
"volume_molar": 10.42142486656982,
"formula_full": "Cu2 C2 S2 N2",
"formula_reduced": "CuCSN",
"formula_anonymous": "ABCD",
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"spacegroup": 160
},
{
"id": "jvasp-111955",
"created_at": "2022-09-04T14:38:42.760597Z",
"updated_at": "2022-09-04T14:38:42.760623Z",
"structure_string": "Mn2 P2 O8\n1.0\n4.215098 0.023794 2.911190\n1.839907 7.953899 3.480433\n0.029722 0.023277 5.123243\nMn P O\n2 2 8\ndirect\n0.198677 0.258824 0.286939 Mn\n0.787022 0.758792 0.698642 Mn\n0.162118 0.626232 0.089536 P\n0.589546 0.126220 0.662136 P\n0.038808 0.776854 0.242914 O\n0.203407 0.457364 0.334419 O\n0.274622 0.146655 0.995123 O\n0.509429 0.117177 0.420225 O\n0.495143 0.646636 0.774673 O\n0.742880 0.276821 0.538981 O\n0.920185 0.617176 0.009431 O\n0.834526 0.957336 0.703336 O\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Mn-O-P",
"density": 2.9176543215331936,
"density_atomic": 0.07032457283764929,
"volume": 170.63736779038956,
"volume_molar": 8.563352064580135,
"formula_full": "Mn2 P2 O8",
"formula_reduced": "MnPO4",
"formula_anonymous": "ABC4",
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"spacegroup": 9
},
{
"id": "jvasp-51711",
"created_at": "2022-09-04T14:38:15.062141Z",
"updated_at": "2022-09-04T14:38:15.062167Z",
"structure_string": "Sr1 Mg2 Fe1 H8\n1.0\n2.241091 -3.881685 0.000000\n2.241091 3.881685 0.000000\n-0.000000 -0.000000 6.547043\nSr Mg Fe H\n1 2 1 8\ndirect\n0.000000 0.000000 0.500000 Sr\n0.666667 0.333332 0.877000 Mg\n0.333332 0.666667 0.123000 Mg\n0.000000 0.000000 0.000000 Fe\n0.838247 0.161753 0.144690 H\n0.323506 0.161753 0.144690 H\n0.838246 0.676494 0.144690 H\n0.161753 0.838247 0.855309 H\n0.676494 0.838246 0.855309 H\n0.161753 0.323506 0.855309 H\n0.666667 0.333332 0.585853 H\n0.333332 0.666667 0.414147 H\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Fe-H-Mg-Sr",
"density": 2.9175936933092386,
"density_atomic": 0.10534799542437932,
"volume": 113.90819494627988,
"volume_molar": 5.71642653070015,
"formula_full": "Sr1 Mg2 Fe1 H8",
"formula_reduced": "SrMg2FeH8",
"formula_anonymous": "ABC2D8",
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},
{
"id": "jvasp-53811",
"created_at": "2022-09-04T14:36:01.398085Z",
"updated_at": "2022-09-04T14:36:01.398117Z",
"structure_string": "Sr1 Mg2 Fe1 H8\n1.0\n2.241091 -3.881685 -0.000000\n2.241091 3.881685 0.000000\n0.000000 -0.000000 6.547043\nSr Mg Fe H\n1 2 1 8\ndirect\n0.000000 0.000000 0.500000 Sr\n0.666667 0.333332 0.877000 Mg\n0.333332 0.666667 0.123000 Mg\n0.000000 0.000000 0.000000 Fe\n0.838247 0.161753 0.144690 H\n0.323506 0.161753 0.144690 H\n0.838246 0.676494 0.144690 H\n0.161753 0.838247 0.855309 H\n0.676494 0.838246 0.855309 H\n0.161753 0.323506 0.855309 H\n0.666667 0.333332 0.585853 H\n0.333332 0.666667 0.414147 H\n",
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"density_atomic": 0.10534799542437932,
"volume": 113.90819494627988,
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"formula_full": "Sr1 Mg2 Fe1 H8",
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"formula_anonymous": "ABC2D8",
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"spacegroup": 164
},
{
"id": "jvasp-1582",
"created_at": "2022-09-04T14:37:01.541245Z",
"updated_at": "2022-09-04T14:37:01.541272Z",
"structure_string": "Rb2 S1\n1.0\n4.734536 0.000000 2.733485\n1.578179 4.463763 2.733485\n0.000000 0.000000 5.466971\nRb S\n2 1\ndirect\n0.750001 0.749999 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 S\n",
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"formula_full": "Rb2 S1",
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},
{
"id": "jvasp-60631",
"created_at": "2022-09-04T14:36:07.220493Z",
"updated_at": "2022-09-04T14:36:07.220517Z",
"structure_string": "Sc2 H2 Cl2\n1.0\n3.408631 -0.009851 8.344474\n1.630598 2.993328 8.344474\n-0.016639 -0.009851 9.013809\nSc H Cl\n2 2 2\ndirect\n0.881390 0.881392 0.881390 Sc\n0.118609 0.118609 0.118609 Sc\n0.805255 0.805257 0.805255 H\n0.194744 0.194744 0.194744 H\n0.390836 0.390837 0.390836 Cl\n0.609163 0.609165 0.609163 Cl\n",
"nsites": 6,
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],
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},
{
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"created_at": "2022-09-04T14:37:58.155538Z",
"updated_at": "2022-09-04T14:37:58.155564Z",
"structure_string": "Na4 Y2 P2 C2 O14\n1.0\n0.000000 5.035295 0.014878\n6.970678 0.000000 0.000000\n0.000000 -0.132283 -9.401152\nNa Y P C O\n4 2 2 2 14\ndirect\n0.233183 0.488265 0.208812 Na\n0.233183 0.011735 0.208812 Na\n0.766818 0.511735 0.791188 Na\n0.766818 0.988266 0.791188 Na\n0.771019 0.750000 0.373819 Y\n0.228983 0.250000 0.626180 Y\n0.694528 0.250000 0.411954 P\n0.305473 0.750000 0.588046 P\n0.730312 0.750000 0.082074 C\n0.269689 0.250000 0.917926 C\n0.472772 0.250000 0.830675 O\n0.187288 0.932035 0.654804 O\n0.187288 0.567965 0.654804 O\n0.756197 0.250000 0.576665 O\n0.614212 0.750000 0.603211 O\n0.385789 0.250000 0.396788 O\n0.962722 0.750000 0.146788 O\n0.812713 0.432035 0.345195 O\n0.812713 0.067965 0.345195 O\n0.527230 0.750000 0.169325 O\n0.037279 0.250000 0.853211 O\n0.299846 0.250000 0.051117 O\n0.243805 0.750000 0.423334 O\n0.700155 0.750000 0.948883 O\n",
"nsites": 24,
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],
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"formula_full": "Na4 Y2 P2 C2 O14",
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"spacegroup": 11
}
]
}