HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=973",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=971",
"results": [
{
"id": "jvasp-92853",
"created_at": "2022-09-04T14:35:49.646451Z",
"updated_at": "2022-09-04T14:35:49.646471Z",
"structure_string": "Ba1 Mg6 B1\n1.0\n7.963603 1.163195 0.000000\n-2.974445 5.151890 0.000000\n0.000000 0.000000 4.581995\nBa Mg B\n1 6 1\ndirect\n0.087628 0.293814 0.250000 Ba\n0.611892 0.316174 0.250000 Mg\n0.611892 0.795718 0.250000 Mg\n0.345027 0.154417 0.750001 Mg\n0.345027 0.690611 0.750001 Mg\n0.748128 0.124064 0.750001 Mg\n0.883219 0.691611 0.750001 Mg\n0.367181 0.933591 0.250000 B\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"B"
],
"chemical_system": "B-Ba-Mg",
"density": 2.394731754543213,
"density_atomic": 0.03924620833093325,
"volume": 203.8413477435099,
"volume_molar": 15.344516110244063,
"formula_full": "Ba1 Mg6 B1",
"formula_reduced": "BaMg6B",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0015475,
"spacegroup": 38
},
{
"id": "jvasp-115543",
"created_at": "2022-09-04T14:38:44.193102Z",
"updated_at": "2022-09-04T14:38:44.193131Z",
"structure_string": "Ba2 H2 Br2\n1.0\n4.534192 0.000000 0.000000\n0.000000 4.534192 0.000000\n0.000000 0.000000 7.435998\nBa H Br\n2 2 2\ndirect\n0.500000 0.000000 0.805526 Ba\n0.000000 0.500000 0.194475 Ba\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.500000 0.653791 Br\n0.500000 0.000000 0.346209 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"H",
"Br"
],
"chemical_system": "Ba-Br-H",
"density": 4.741025156337644,
"density_atomic": 0.039247515839335945,
"volume": 152.87591766474253,
"volume_molar": 15.344004916520834,
"formula_full": "Ba2 H2 Br2",
"formula_reduced": "BaHBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1373866916666666,
"spacegroup": 129
},
{
"id": "jvasp-105499",
"created_at": "2022-09-04T14:36:48.416367Z",
"updated_at": "2022-09-04T14:36:48.416383Z",
"structure_string": "Ga2 Se3\n1.0\n5.138706 -0.013461 -4.404291\n-0.462826 3.675641 -5.663895\n-0.049799 0.013461 6.767688\nGa Se\n2 3\ndirect\n0.330117 0.340076 0.990041 Ga\n0.649965 0.659924 0.990041 Ga\n0.613925 0.843719 0.770206 Se\n0.926488 0.156280 0.770207 Se\n0.229506 0.500000 0.729505 Se\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ga",
"Se"
],
"chemical_system": "Ga-Se",
"density": 4.905230781347372,
"density_atomic": 0.03924787316816676,
"volume": 127.39543818276017,
"volume_molar": 15.343865218369208,
"formula_full": "Ga2 Se3",
"formula_reduced": "Ga2Se3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.5855335711111112,
"spacegroup": 44
},
{
"id": "jvasp-78977",
"created_at": "2022-09-04T14:37:11.481229Z",
"updated_at": "2022-09-04T14:37:11.481256Z",
"structure_string": "Tm2 Mg1 Tl1\n1.0\n-0.000000 3.707411 3.707411\n3.707411 -0.000000 3.707411\n3.707411 3.707411 0.000000\nTm Mg Tl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500001 0.500001 0.500001 Tm\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Mg",
"Tl"
],
"chemical_system": "Mg-Tl-Tm",
"density": 9.23103280684431,
"density_atomic": 0.039248023705167764,
"volume": 101.91595964291375,
"volume_molar": 15.343806366502648,
"formula_full": "Tm2 Mg1 Tl1",
"formula_reduced": "Tm2MgTl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2534825375,
"spacegroup": 225
},
{
"id": "jvasp-38926",
"created_at": "2022-09-04T14:38:00.833442Z",
"updated_at": "2022-09-04T14:38:00.833470Z",
"structure_string": "Mg2 Tl1 Pb1\n1.0\n-0.000000 3.707405 3.707405\n3.707405 -0.000000 3.707405\n3.707405 3.707405 0.000000\nMg Tl Pb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.499998 0.499998 0.499998 Mg\n0.749999 0.749999 0.749999 Tl\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Tl",
"Pb"
],
"chemical_system": "Mg-Pb-Tl",
"density": 7.49806669803634,
"density_atomic": 0.03924821426044026,
"volume": 101.91546482744691,
"volume_molar": 15.343731870292862,
"formula_full": "Mg2 Tl1 Pb1",
"formula_reduced": "Mg2TlPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-28438",
"created_at": "2022-09-04T14:37:04.464848Z",
"updated_at": "2022-09-04T14:37:04.464877Z",
"structure_string": "Yb2 Cl6\n1.0\n-1.375873 -0.000000 4.669902\n-6.858341 0.000000 3.050566\n-3.429169 -7.323956 1.525284\nYb Cl\n2 6\ndirect\n-0.000001 0.161358 0.677284 Yb\n0.000000 0.838642 0.322716 Yb\n0.249175 0.079521 0.342764 Cl\n0.750825 0.920478 0.657237 Cl\n0.750825 0.577715 0.342764 Cl\n0.249175 0.422284 0.657237 Cl\n0.252203 0.747758 0.000000 Cl\n0.747798 0.252241 -0.000000 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"Cl"
],
"chemical_system": "Cl-Yb",
"density": 4.552351805087952,
"density_atomic": 0.039248391538629315,
"volume": 203.8300089858762,
"volume_molar": 15.343662565312641,
"formula_full": "Yb2 Cl6",
"formula_reduced": "YbCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2138260168749999,
"spacegroup": 71
},
{
"id": "jvasp-62364",
"created_at": "2022-09-04T14:36:09.628491Z",
"updated_at": "2022-09-04T14:36:09.628518Z",
"structure_string": "Lu10 Te4 Au4\n1.0\n3.903047 -7.524095 -0.000000\n3.903047 7.524095 -0.000000\n-0.000000 0.000000 7.808260\nLu Te Au\n10 4 4\ndirect\n0.718653 0.959101 0.340132 Lu\n0.218652 0.459100 0.159868 Lu\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Lu\n0.459100 0.218652 0.159868 Lu\n0.040900 0.281348 0.659868 Lu\n0.281348 0.040900 0.659868 Lu\n0.781348 0.540900 0.840132 Lu\n0.540900 0.781348 0.840132 Lu\n0.959101 0.718653 0.340132 Lu\n0.291420 0.708580 0.500000 Te\n0.208580 0.791421 0.000000 Te\n0.708580 0.291420 0.500000 Te\n0.791421 0.208580 0.000000 Te\n0.862035 0.862035 0.636283 Au\n0.637966 0.637966 0.136283 Au\n0.362034 0.362034 0.863717 Au\n0.137966 0.137966 0.363717 Au\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Lu",
"Te",
"Au"
],
"chemical_system": "Au-Lu-Te",
"density": 11.036024785927594,
"density_atomic": 0.03924914422535319,
"volume": 458.6087252412705,
"volume_molar": 15.34336831759498,
"formula_full": "Lu10 Te4 Au4",
"formula_reduced": "Lu5(TeAu)2",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 1.120101047037037,
"spacegroup": 64
},
{
"id": "jvasp-105167",
"created_at": "2022-09-04T14:36:57.604334Z",
"updated_at": "2022-09-04T14:36:57.604353Z",
"structure_string": "Er1 Tm1 In2\n1.0\n4.540562 -0.000000 2.621495\n1.513521 4.280883 2.621495\n-0.000000 -0.000000 5.242989\nEr Tm In\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Er\n0.000000 0.000000 0.000000 Tm\n0.750000 0.749999 0.749999 In\n0.250000 0.250000 0.250000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Tm",
"In"
],
"chemical_system": "Er-In-Tm",
"density": 9.219609903904448,
"density_atomic": 0.039249856763520434,
"volume": 101.91119993379635,
"volume_molar": 15.343089775545609,
"formula_full": "Er1 Tm1 In2",
"formula_reduced": "ErTmIn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3215160474999999,
"spacegroup": 225
},
{
"id": "jvasp-112553",
"created_at": "2022-09-04T14:38:41.346546Z",
"updated_at": "2022-09-04T14:38:41.346562Z",
"structure_string": "Ba4 Ho8 S16\n1.0\n4.024385 -0.000000 0.000000\n0.000000 12.242950 0.000000\n-0.000000 -0.000000 14.478717\nBa Ho S\n4 8 16\ndirect\n0.250000 0.757826 0.337702 Ba\n0.250000 0.257826 0.162298 Ba\n0.750001 0.242174 0.662298 Ba\n0.750001 0.742174 0.837702 Ba\n0.750001 0.078560 0.398545 Ho\n0.750001 0.578560 0.101455 Ho\n0.250000 0.421440 0.898545 Ho\n0.250000 0.921440 0.601455 Ho\n0.750001 0.567256 0.608256 Ho\n0.250000 0.932744 0.108256 Ho\n0.250000 0.432744 0.391744 Ho\n0.750001 0.067256 0.891744 Ho\n0.250000 0.022396 0.282854 S\n0.250000 0.918502 0.922931 S\n0.250000 0.418502 0.577070 S\n0.750001 0.477604 0.782854 S\n0.750001 0.977604 0.717147 S\n0.250000 0.522396 0.217146 S\n0.750001 0.375657 0.023142 S\n0.250000 0.707454 0.661923 S\n0.250000 0.624343 0.976858 S\n0.250000 0.124343 0.523142 S\n0.750001 0.292546 0.338077 S\n0.750001 0.792546 0.161923 S\n0.750001 0.581498 0.422930 S\n0.250000 0.207454 0.838077 S\n0.750001 0.875657 0.476858 S\n0.750001 0.081498 0.077070 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ba",
"Ho",
"S"
],
"chemical_system": "Ba-Ho-S",
"density": 5.544175765745516,
"density_atomic": 0.03925024341305119,
"volume": 713.3713721298772,
"volume_molar": 15.342938632573077,
"formula_full": "Ba4 Ho8 S16",
"formula_reduced": "Ba(HoS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.318589586190476,
"spacegroup": 62
},
{
"id": "jvasp-37295",
"created_at": "2022-09-04T14:37:55.311301Z",
"updated_at": "2022-09-04T14:37:55.311323Z",
"structure_string": "Sm3 Cr1\n1.0\n-2.408816 2.408816 4.390838\n2.408816 -2.408816 4.390838\n2.408816 2.408816 -4.390838\nSm Cr\n3 1\ndirect\n0.750002 0.250000 0.500002 Sm\n0.250000 0.750002 0.500002 Sm\n0.500001 0.500001 0.000000 Sm\n0.000000 0.000000 0.000000 Cr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Cr"
],
"chemical_system": "Cr-Sm",
"density": 8.197248917792985,
"density_atomic": 0.03925051247297695,
"volume": 101.9094974302286,
"volume_molar": 15.342833457642373,
"formula_full": "Sm3 Cr1",
"formula_reduced": "Sm3Cr",
"formula_anonymous": "AB3",
"energy_above_hull": 2.48759350625,
"spacegroup": 139
},
{
"id": "jvasp-39760",
"created_at": "2022-09-04T14:37:32.507003Z",
"updated_at": "2022-09-04T14:37:32.507029Z",
"structure_string": "Yb1 La1 Ag2\n1.0\n0.000000 3.707307 3.707307\n3.707307 -0.000000 3.707307\n3.707307 3.707307 0.000000\nYb La Ag\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Yb\n0.250000 0.250000 0.250000 La\n0.500001 0.500001 0.500001 Ag\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"La",
"Ag"
],
"chemical_system": "Ag-La-Yb",
"density": 8.598359937131502,
"density_atomic": 0.03925132683785017,
"volume": 101.90738306820214,
"volume_molar": 15.34251513299885,
"formula_full": "Yb1 La1 Ag2",
"formula_reduced": "LaYbAg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.031082555,
"spacegroup": 225
},
{
"id": "jvasp-12795",
"created_at": "2022-09-04T14:37:50.417920Z",
"updated_at": "2022-09-04T14:37:50.417944Z",
"structure_string": "Na12 Ga4 Se12\n1.0\n7.224569 0.000000 0.000000\n0.000000 7.478247 -0.096382\n0.000000 -0.033924 13.203503\nNa Ga Se\n12 4 12\ndirect\n0.470548 0.725617 0.785130 Na\n0.970548 0.774385 0.714870 Na\n0.529452 0.274384 0.214870 Na\n0.029452 0.225616 0.285130 Na\n0.499690 0.331557 0.607059 Na\n0.999690 0.168444 0.892940 Na\n0.500310 0.668444 0.392941 Na\n0.000310 0.831557 0.107060 Na\n0.499526 0.216192 0.899127 Na\n0.999526 0.283809 0.600872 Na\n0.500474 0.783809 0.100873 Na\n0.000474 0.716192 0.399127 Na\n0.642978 0.086250 0.416015 Ga\n0.142978 0.413750 0.083985 Ga\n0.357022 0.913751 0.583985 Ga\n0.857022 0.586251 0.916015 Ga\n0.703105 0.921940 0.572214 Se\n0.203105 0.578061 0.927786 Se\n0.296895 0.078061 0.427786 Se\n0.796895 0.421940 0.072214 Se\n0.255300 0.074674 0.731426 Se\n0.755300 0.425327 0.768574 Se\n0.744700 0.925327 0.268574 Se\n0.244700 0.574674 0.231426 Se\n0.740560 0.884254 0.926685 Se\n0.240560 0.615748 0.573315 Se\n0.259440 0.115747 0.073315 Se\n0.759440 0.384253 0.426685 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Na",
"Ga",
"Se"
],
"chemical_system": "Ga-Na-Se",
"density": 3.4971649416826596,
"density_atomic": 0.039252877209467206,
"volume": 713.3235062128597,
"volume_molar": 15.341909149394914,
"formula_full": "Na12 Ga4 Se12",
"formula_reduced": "Na3GaSe3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.1173099178571429,
"spacegroup": 14
}
]
}