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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3504",
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"results": [
{
"id": "jvasp-46407",
"created_at": "2022-09-04T14:38:06.023116Z",
"updated_at": "2022-09-04T14:38:06.023146Z",
"structure_string": "Na4 Mn2 O6\n1.0\n-5.222478 -0.000708 0.001383\n2.607448 4.521512 -0.005668\n-0.893624 -1.552844 -5.324078\nNa Mn O\n4 2 6\ndirect\n0.499354 0.996581 0.500467 Na\n0.184970 0.339353 0.500400 Na\n0.813720 0.653761 0.500408 Na\n0.499339 0.496507 0.000425 Na\n0.834084 0.163883 0.000432 Mn\n0.164594 0.829130 0.000428 Mn\n0.123118 0.564453 0.200779 O\n0.875564 0.428566 0.800080 O\n0.499348 0.803188 0.799673 O\n0.875546 0.940668 0.200779 O\n0.123131 0.052349 0.800080 O\n0.499331 0.189828 0.201179 O\n",
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"volume": 125.75622146057835,
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{
"id": "jvasp-109489",
"created_at": "2022-09-04T14:38:20.477941Z",
"updated_at": "2022-09-04T14:38:20.477965Z",
"structure_string": "Rb2 Li1 Sb1 Br6\n1.0\n6.710446 -0.000000 3.874278\n2.236815 6.326669 3.874278\n-0.000000 -0.000000 7.748556\nRb Li Sb Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sb\n0.744553 0.255448 0.255448 Br\n0.255448 0.255448 0.744553 Br\n0.255448 0.744553 0.744553 Br\n0.255448 0.744553 0.255448 Br\n0.744553 0.255448 0.744553 Br\n0.744553 0.744553 0.255448 Br\n",
"nsites": 10,
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"density_atomic": 0.030398539925610302,
"volume": 328.9631681150302,
"volume_molar": 19.81062503244256,
"formula_full": "Rb2 Li1 Sb1 Br6",
"formula_reduced": "Rb2LiSbBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-40709",
"created_at": "2022-09-04T14:37:19.908396Z",
"updated_at": "2022-09-04T14:37:19.908413Z",
"structure_string": "Li6 Ni4 O2 F10\n1.0\n5.068196 -0.011018 -0.003459\n-1.702119 4.773663 -0.003842\n-1.675697 -2.370418 8.710020\nLi Ni O F\n6 4 2 10\ndirect\n0.862306 0.112310 0.724967 Li\n0.458347 0.208435 0.916587 Li\n0.220952 0.470956 0.441702 Li\n0.791762 0.541523 0.583336 Li\n0.124948 0.875009 0.250080 Li\n0.541660 0.791726 0.083332 Li\n0.964462 0.714439 0.928816 Ni\n0.291627 0.041676 0.583333 Ni\n0.618920 0.368912 0.237849 Ni\n0.041704 0.291673 0.083333 Ni\n0.280977 0.052396 0.083332 O\n0.802425 0.530951 0.083333 O\n0.102060 0.887196 0.748998 F\n0.708059 0.959192 0.919511 F\n0.211713 0.460554 0.919563 F\n0.446110 0.231244 0.417665 F\n0.049303 0.283965 0.583334 F\n0.646895 0.361775 0.748991 F\n0.971525 0.686402 0.417680 F\n0.533924 0.799344 0.583335 F\n0.374173 0.625312 0.247154 F\n0.872810 0.121663 0.247105 F\n",
"nsites": 22,
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"elements": [
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"O",
"F"
],
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"density": 3.932085487181432,
"density_atomic": 0.10452408675877892,
"volume": 210.4778016455832,
"volume_molar": 5.761486128932099,
"formula_full": "Li6 Ni4 O2 F10",
"formula_reduced": "Li3Ni2OF5",
"formula_anonymous": "AB2C3D5",
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"spacegroup": 22
},
{
"id": "jvasp-15709",
"created_at": "2022-09-04T14:36:36.513742Z",
"updated_at": "2022-09-04T14:36:36.513763Z",
"structure_string": "Ga2 Ni1 S4\n1.0\n1.816318 -3.145954 -0.000000\n1.816318 3.145954 -0.000000\n0.000000 -0.000000 12.061689\nGa Ni S\n2 1 4\ndirect\n0.666667 0.333334 0.782312 Ga\n0.333334 0.666667 0.217688 Ga\n0.000000 0.000000 0.500000 Ni\n0.333334 0.666667 0.402998 S\n0.666667 0.333334 0.597002 S\n0.333334 0.666667 0.869655 S\n0.666667 0.333334 0.130345 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ga",
"Ni",
"S"
],
"chemical_system": "Ga-Ni-S",
"density": 3.932023205014787,
"density_atomic": 0.050782685428520664,
"volume": 137.84225747283242,
"volume_molar": 11.858649673965123,
"formula_full": "Ga2 Ni1 S4",
"formula_reduced": "Ga2NiS4",
"formula_anonymous": "AB2C4",
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"spacegroup": 164
},
{
"id": "jvasp-115800",
"created_at": "2022-09-04T14:38:39.866833Z",
"updated_at": "2022-09-04T14:38:39.866877Z",
"structure_string": "Ca1 Sb1 N1\n1.0\n4.858394 0.000000 0.000000\n-2.429197 4.207493 -0.000000\n-0.000000 0.000000 3.632939\nCa Sb N\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666665 0.333333 0.000000 Sb\n0.333332 0.666667 0.000000 N\n",
"nsites": 3,
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"elements": [
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"N"
],
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"density_atomic": 0.04039680473299193,
"volume": 74.26329928391367,
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"formula_full": "Ca1 Sb1 N1",
"formula_reduced": "CaSbN",
"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-21555",
"created_at": "2022-09-04T14:36:11.656350Z",
"updated_at": "2022-09-04T14:36:11.656359Z",
"structure_string": "Dy8 P8 S32\n1.0\n9.590029 0.000000 -4.694390\n-2.297939 9.310645 -4.694390\n0.009422 0.012029 12.162032\nDy P S\n8 8 32\ndirect\n0.125000 0.375000 0.250000 Dy\n0.875000 0.625000 0.750000 Dy\n0.625000 0.875000 0.250000 Dy\n0.375000 0.625000 0.750000 Dy\n0.625000 0.375000 0.250000 Dy\n0.125000 0.875000 0.250000 Dy\n0.875000 0.125000 0.750000 Dy\n0.375000 0.125000 0.750000 Dy\n0.287542 0.250000 0.500000 P\n0.787542 0.250000 0.500000 P\n0.750000 0.787542 0.000000 P\n0.250000 0.712459 0.000000 P\n0.712458 0.750000 0.500000 P\n0.212458 0.750000 0.500000 P\n0.250000 0.212459 0.000000 P\n0.750000 0.287542 0.000000 P\n0.909745 0.884776 0.992749 S\n0.165080 0.729055 0.821206 S\n0.090255 0.115225 0.007251 S\n0.392026 0.090255 0.507251 S\n0.115225 0.916996 0.507251 S\n0.107974 0.583005 0.492749 S\n0.409745 0.107974 0.992749 S\n0.907848 0.843874 0.678794 S\n0.384775 0.409745 0.492749 S\n0.916996 0.392026 0.007251 S\n0.583004 0.384775 0.992749 S\n0.770946 0.334920 0.678794 S\n0.843874 0.770946 0.178794 S\n0.334920 0.907848 0.178794 S\n0.607974 0.909746 0.492749 S\n0.884775 0.083004 0.492749 S\n0.416996 0.615225 0.007251 S\n0.590255 0.892026 0.007251 S\n0.892026 0.416996 0.507251 S\n0.615225 0.590255 0.507251 S\n0.343874 0.407848 0.178794 S\n0.083004 0.607975 0.992749 S\n0.270946 0.343874 0.678794 S\n0.665080 0.092152 0.821206 S\n0.156126 0.229054 0.821206 S\n0.229054 0.665080 0.321206 S\n0.092152 0.156126 0.321206 S\n0.656126 0.592152 0.821206 S\n0.729054 0.656127 0.321206 S\n0.592152 0.165080 0.321206 S\n0.407848 0.834920 0.678794 S\n0.834920 0.270946 0.178794 S\n",
"nsites": 48,
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"elements": [
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],
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"density": 3.9318500149267805,
"density_atomic": 0.04415729471117148,
"volume": 1087.0231139376467,
"volume_molar": 13.63792958647089,
"formula_full": "Dy8 P8 S32",
"formula_reduced": "DyPS4",
"formula_anonymous": "ABC4",
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"spacegroup": 142
},
{
"id": "jvasp-30527",
"created_at": "2022-09-04T14:37:15.762630Z",
"updated_at": "2022-09-04T14:37:15.762649Z",
"structure_string": "Mg2 Cr8 O18\n1.0\n4.723231 -0.000000 0.000000\n-0.000000 8.203241 0.000000\n-0.000000 -0.000000 8.203241\nMg Cr O\n2 8 18\ndirect\n0.150304 0.250000 0.250000 Mg\n0.849697 0.750000 0.749999 Mg\n0.372651 0.656737 0.036877 Cr\n0.627350 0.156738 0.536878 Cr\n0.627350 0.963123 0.156737 Cr\n0.372651 0.463123 0.656737 Cr\n0.627350 0.343262 0.963123 Cr\n0.372651 0.843262 0.463123 Cr\n0.627350 0.536878 0.343263 Cr\n0.372651 0.036877 0.843262 Cr\n0.959328 0.184622 0.479853 O\n0.540511 0.855330 0.953998 O\n0.540511 0.546001 0.855330 O\n0.459487 0.453999 0.144670 O\n0.459487 0.355330 0.453999 O\n0.459487 0.144669 0.046002 O\n0.459487 0.046001 0.355330 O\n0.959328 0.020146 0.184622 O\n0.040673 0.520147 0.684622 O\n0.959328 0.315378 0.020146 O\n0.040673 0.815378 0.520146 O\n0.040673 0.979854 0.815378 O\n0.540511 0.644670 0.546001 O\n0.040673 0.684623 0.979854 O\n0.499999 0.250001 0.750000 O\n0.499999 0.750000 0.250000 O\n0.959328 0.479853 0.315378 O\n0.540511 0.953997 0.644670 O\n",
"nsites": 28,
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"elements": [
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"Cr",
"O"
],
"chemical_system": "Cr-Mg-O",
"density": 3.931739335889479,
"density_atomic": 0.08809431920770727,
"volume": 317.8411531166054,
"volume_molar": 6.836014869246109,
"formula_full": "Mg2 Cr8 O18",
"formula_reduced": "MgCr4O9",
"formula_anonymous": "AB4C9",
"energy_above_hull": 3.3887321535714285,
"spacegroup": 85
},
{
"id": "jvasp-120910",
"created_at": "2022-09-04T14:38:54.843841Z",
"updated_at": "2022-09-04T14:38:54.843869Z",
"structure_string": "Ge1 Br3\n1.0\n6.694770 -0.019466 0.512337\n-0.146543 -6.715605 0.517803\n-1.390913 3.080177 -3.282812\nGe Br\n1 3\ndirect\n0.605518 0.164052 0.122636 Ge\n0.933877 0.037445 0.159943 Br\n0.605512 0.376692 0.835186 Br\n0.277136 0.708687 0.503495 Br\n",
"nsites": 4,
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"elements": [
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"Br"
],
"chemical_system": "Br-Ge",
"density": 3.9316564694059055,
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"volume": 131.9221815452807,
"volume_molar": 19.861348665798868,
"formula_full": "Ge1 Br3",
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"energy_above_hull": 0.0228635262499999,
"spacegroup": 44
},
{
"id": "jvasp-49924",
"created_at": "2022-09-04T14:37:56.150340Z",
"updated_at": "2022-09-04T14:37:56.150358Z",
"structure_string": "Ti6 N4 O6\n1.0\n3.847025 0.000000 -0.000000\n-1.923513 4.872314 -0.019542\n-0.000000 -0.049750 9.897193\nTi N O\n6 4 6\ndirect\n0.145623 0.291246 0.565944 Ti\n0.147300 0.294600 0.940306 Ti\n0.200518 0.401034 0.249023 Ti\n0.800287 0.600574 0.757093 Ti\n0.859496 0.718994 0.056578 Ti\n0.865066 0.730134 0.439336 Ti\n0.305290 0.610579 0.428168 N\n0.311116 0.622232 0.079015 N\n0.237667 0.475334 0.744935 N\n0.693623 0.387246 0.926901 N\n0.047450 0.094899 0.117901 O\n0.042053 0.084106 0.376914 O\n0.952409 0.904818 0.615402 O\n0.954764 0.909528 0.881162 O\n0.683755 0.367511 0.570231 O\n0.753577 0.507156 0.251090 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 3.9316313178114948,
"density_atomic": 0.08624946736377541,
"volume": 185.50839198248738,
"volume_molar": 6.982235304248715,
"formula_full": "Ti6 N4 O6",
"formula_reduced": "Ti3N2O3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 3.91040025,
"spacegroup": 8
},
{
"id": "jvasp-58854",
"created_at": "2022-09-04T14:38:01.188386Z",
"updated_at": "2022-09-04T14:38:01.188407Z",
"structure_string": "Rb8 Cd2 Br12\n1.0\n9.239878 0.078945 0.056649\n0.056784 9.240041 0.056649\n0.078756 0.078945 9.239716\nRb Cd Br\n8 2 12\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.749999 0.750001 Rb\n0.871212 0.628788 0.250000 Rb\n0.250000 0.871211 0.628789 Rb\n0.628789 0.249999 0.871212 Rb\n0.128789 0.371211 0.750000 Rb\n0.750000 0.128788 0.371212 Rb\n0.371211 0.750000 0.128789 Rb\n0.000000 0.000000 0.000000 Cd\n0.500000 0.499999 0.500000 Cd\n0.706833 0.930847 0.059804 Br\n0.430847 0.206833 0.559804 Br\n0.440196 0.569152 0.793167 Br\n0.793167 0.440195 0.569153 Br\n0.569153 0.793166 0.440197 Br\n0.069153 0.940196 0.293167 Br\n0.293167 0.069152 0.940197 Br\n0.940196 0.293166 0.069153 Br\n0.559804 0.430847 0.206834 Br\n0.206834 0.559803 0.430847 Br\n0.059804 0.706833 0.930848 Br\n0.930847 0.059803 0.706834 Br\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Br-Cd-Rb",
"density": 3.9315019667350546,
"density_atomic": 0.027892782628074018,
"volume": 788.7345014425722,
"volume_molar": 21.5903190452527,
"formula_full": "Rb8 Cd2 Br12",
"formula_reduced": "Rb4CdBr6",
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"energy_above_hull": 0.0,
"spacegroup": 167
},
{
"id": "jvasp-38020",
"created_at": "2022-09-04T14:38:07.461132Z",
"updated_at": "2022-09-04T14:38:07.461155Z",
"structure_string": "Al3 Cu1\n1.0\n2.815937 -0.000000 0.000000\n-0.000000 2.815937 0.000000\n-0.000000 -0.000000 7.696921\nAl Cu\n3 1\ndirect\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.777363 Al\n0.500000 0.500000 0.222637 Al\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.93120636120906,
"density_atomic": 0.06553859000714339,
"volume": 61.032744213203536,
"volume_molar": 9.188694415524678,
"formula_full": "Al3 Cu1",
"formula_reduced": "Al3Cu",
"formula_anonymous": "AB3",
"energy_above_hull": 1.1361372125000002,
"spacegroup": 123
},
{
"id": "jvasp-49391",
"created_at": "2022-09-04T14:37:03.878048Z",
"updated_at": "2022-09-04T14:37:03.878062Z",
"structure_string": "Rb12 Sb4 Se12\n1.0\n10.128994 0.000000 -0.000000\n-0.000000 10.128994 0.000000\n0.000000 0.000000 10.128994\nRb Sb Se\n12 4 12\ndirect\n0.320366 0.320366 0.320366 Rb\n0.179633 0.679633 0.820366 Rb\n0.820366 0.179633 0.679633 Rb\n0.679633 0.820366 0.179633 Rb\n0.572586 0.572586 0.572586 Rb\n0.927413 0.427414 0.072586 Rb\n0.072586 0.927413 0.427414 Rb\n0.427414 0.072586 0.927413 Rb\n0.812487 0.812487 0.812487 Rb\n0.687512 0.187512 0.312488 Rb\n0.312488 0.687512 0.187512 Rb\n0.187512 0.312488 0.687512 Rb\n0.969865 0.530134 0.469865 Sb\n0.530134 0.469865 0.969865 Sb\n0.469865 0.969865 0.530134 Sb\n0.030134 0.030134 0.030134 Sb\n0.215220 0.605151 0.497123 Se\n0.497123 0.215220 0.605151 Se\n0.605151 0.497123 0.215220 Se\n0.894849 0.502877 0.715220 Se\n0.997123 0.284780 0.394849 Se\n0.394849 0.997123 0.284780 Se\n0.002877 0.784780 0.105151 Se\n0.502877 0.715220 0.894849 Se\n0.105151 0.002877 0.784780 Se\n0.715220 0.894849 0.502877 Se\n0.784780 0.105151 0.002877 Se\n0.284780 0.394849 0.997123 Se\n",
"nsites": 28,
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"elements": [
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],
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"density": 3.9311164561557597,
"density_atomic": 0.026943815112514733,
"volume": 1039.199529950556,
"volume_molar": 22.35073516817173,
"formula_full": "Rb12 Sb4 Se12",
"formula_reduced": "Rb3SbSe3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.3383066,
"spacegroup": 198
}
]
}