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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=929",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=927",
"results": [
{
"id": "jvasp-43624",
"created_at": "2022-09-04T14:35:49.082059Z",
"updated_at": "2022-09-04T14:35:49.082075Z",
"structure_string": "Rb16 O8\n1.0\n6.688122 0.000000 0.000000\n-0.000000 6.945517 0.000000\n0.000000 0.000000 13.358731\nRb O\n16 8\ndirect\n-0.000918 0.261563 0.023274 Rb\n0.000918 0.738438 0.976726 Rb\n0.500917 0.761563 0.976726 Rb\n0.173329 0.102523 0.801839 Rb\n0.673329 0.397477 0.801839 Rb\n0.673329 0.897477 0.698161 Rb\n0.000918 0.238438 0.523274 Rb\n0.500917 0.261563 0.523274 Rb\n0.173329 0.602524 0.698161 Rb\n-0.000918 0.761563 0.476726 Rb\n0.826671 0.397477 0.301839 Rb\n0.326671 0.102523 0.301839 Rb\n0.326671 0.602524 0.198161 Rb\n0.826671 0.897477 0.198161 Rb\n0.499082 0.238438 0.023274 Rb\n0.499082 0.738438 0.476726 Rb\n0.268546 0.465812 0.885406 O\n0.231453 0.965812 0.114594 O\n0.731453 0.534188 0.114594 O\n0.731453 0.034188 0.385406 O\n0.231453 0.465812 0.385406 O\n0.268546 0.965812 0.614594 O\n0.768546 0.534188 0.614594 O\n0.768546 0.034188 0.885406 O\n",
"nsites": 24,
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"elements": [
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"O"
],
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"density": 4.001803289097525,
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"volume": 620.5459848774814,
"volume_molar": 15.570896954104269,
"formula_full": "Rb16 O8",
"formula_reduced": "Rb2O",
"formula_anonymous": "AB2",
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"spacegroup": 61
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{
"id": "jvasp-20581",
"created_at": "2022-09-04T14:38:15.939590Z",
"updated_at": "2022-09-04T14:38:15.939623Z",
"structure_string": "Pr4 Ge4\n1.0\n4.104978 -0.000000 0.000000\n0.000000 6.029064 0.000000\n0.000000 0.000000 8.357411\nPr Ge\n4 4\ndirect\n0.250000 0.382061 0.681248 Pr\n0.750000 0.617939 0.318752 Pr\n0.750000 0.882060 0.818752 Pr\n0.250000 0.117939 0.181248 Pr\n0.250000 0.862058 0.538747 Ge\n0.750000 0.137941 0.461253 Ge\n0.750000 0.362059 0.961253 Ge\n0.250000 0.637941 0.038747 Ge\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pr",
"Ge"
],
"chemical_system": "Ge-Pr",
"density": 6.85758812023959,
"density_atomic": 0.03867742019025553,
"volume": 206.83902805946548,
"volume_molar": 15.570171770446134,
"formula_full": "Pr4 Ge4",
"formula_reduced": "PrGe",
"formula_anonymous": "AB",
"energy_above_hull": 0.4051829,
"spacegroup": 62
},
{
"id": "jvasp-120363",
"created_at": "2022-09-04T14:38:48.385491Z",
"updated_at": "2022-09-04T14:38:48.385517Z",
"structure_string": "Na1 Se2\n1.0\n4.735678 0.047814 0.718733\n-0.022725 -3.827136 0.399754\n-0.206584 -0.445266 -4.264554\nNa Se\n1 2\ndirect\n0.105258 0.895290 0.059732 Na\n0.367626 0.395391 0.667767 Se\n0.843624 0.395199 0.452124 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Na",
"Se"
],
"chemical_system": "Na-Se",
"density": 3.8730049734924155,
"density_atomic": 0.038677481954851115,
"volume": 77.56451165828094,
"volume_molar": 15.57014690622763,
"formula_full": "Na1 Se2",
"formula_reduced": "NaSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6331550166666666,
"spacegroup": 10
},
{
"id": "jvasp-39935",
"created_at": "2022-09-04T14:37:48.472110Z",
"updated_at": "2022-09-04T14:37:48.472134Z",
"structure_string": "Yb1 Sm1 Hg2\n1.0\n0.000000 3.725468 3.725468\n3.725468 -0.000000 3.725468\n3.725468 3.725468 0.000000\nYb Sm Hg\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Yb\n0.249999 0.249999 0.249999 Sm\n0.000000 0.000000 0.000000 Hg\n0.500001 0.500001 0.500001 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Sm",
"Hg"
],
"chemical_system": "Hg-Sm-Yb",
"density": 11.634907424482538,
"density_atomic": 0.038680090680955355,
"volume": 103.41237390039139,
"volume_molar": 15.569096798847678,
"formula_full": "Yb1 Sm1 Hg2",
"formula_reduced": "YbSmHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-108847",
"created_at": "2022-09-04T14:38:19.531435Z",
"updated_at": "2022-09-04T14:38:19.531453Z",
"structure_string": "Na2 Ag1 Au1 Cl6\n1.0\n6.192582 -0.000000 3.575289\n2.064194 5.838422 3.575289\n-0.000000 -0.000000 7.150578\nNa Ag Au Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500001 Ag\n0.000000 0.000000 0.000000 Au\n0.751337 0.248662 0.248663 Cl\n0.248662 0.248662 0.751338 Cl\n0.248662 0.751337 0.751339 Cl\n0.248662 0.751337 0.248663 Cl\n0.751337 0.248662 0.751338 Cl\n0.751337 0.751337 0.248663 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Ag",
"Au",
"Cl"
],
"chemical_system": "Ag-Au-Cl-Na",
"density": 3.619591168470387,
"density_atomic": 0.03868045758031989,
"volume": 258.5284824833062,
"volume_molar": 15.568949119836644,
"formula_full": "Na2 Ag1 Au1 Cl6",
"formula_reduced": "Na2AgAuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-20761",
"created_at": "2022-09-04T14:38:33.918384Z",
"updated_at": "2022-09-04T14:38:33.918413Z",
"structure_string": "Sb12 Rh4\n1.0\n7.664771 0.000000 -2.709905\n-3.832384 6.637886 -2.709905\n0.000000 0.000000 8.129717\nSb Rh\n12 4\ndirect\n0.493718 0.154615 0.339104 Sb\n0.154615 0.660896 0.815511 Sb\n0.339104 0.184489 0.845385 Sb\n0.845386 0.660896 0.506282 Sb\n0.660897 0.815511 0.154614 Sb\n0.845386 0.339104 0.184489 Sb\n0.660896 0.506283 0.845385 Sb\n0.339104 0.493718 0.154615 Sb\n0.154615 0.339104 0.493718 Sb\n0.815511 0.154615 0.660896 Sb\n0.184490 0.845386 0.339104 Sb\n0.506283 0.845386 0.660896 Sb\n0.500000 0.500000 0.500000 Rh\n0.000000 0.500000 -0.000000 Rh\n-0.000000 -0.000000 0.500000 Rh\n0.500000 -0.000000 -0.000000 Rh\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sb",
"Rh"
],
"chemical_system": "Rh-Sb",
"density": 7.5183518560908915,
"density_atomic": 0.038682593268038606,
"volume": 413.6227343687415,
"volume_molar": 15.56808954940407,
"formula_full": "Sb12 Rh4",
"formula_reduced": "Sb3Rh",
"formula_anonymous": "AB3",
"energy_above_hull": 1.840852825,
"spacegroup": 204
},
{
"id": "jvasp-96838",
"created_at": "2022-09-04T14:36:32.386291Z",
"updated_at": "2022-09-04T14:36:32.386323Z",
"structure_string": "Rb6 Mn6 Cl18\n1.0\n7.112998 0.000000 -0.000000\n-3.556499 6.160037 0.000000\n-0.000000 -0.000000 17.699645\nRb Mn Cl\n6 6 18\ndirect\n0.000000 0.000000 0.250000 Rb\n0.333333 0.666667 0.414311 Rb\n0.666667 0.333333 0.585689 Rb\n0.000000 0.000000 0.750000 Rb\n0.666667 0.333333 0.914311 Rb\n0.333333 0.666667 0.085689 Rb\n0.000000 0.000000 0.500000 Mn\n0.666667 0.333333 0.338615 Mn\n0.000000 0.000000 0.000000 Mn\n0.666667 0.333333 0.161385 Mn\n0.333333 0.666667 0.661384 Mn\n0.333333 0.666667 0.838615 Mn\n0.991406 0.495703 0.250000 Cl\n0.165898 0.331796 0.917773 Cl\n0.495703 0.504298 0.750000 Cl\n0.668205 0.834103 0.917773 Cl\n0.834102 0.165898 0.417773 Cl\n0.834102 0.668205 0.082227 Cl\n0.495703 0.991406 0.750000 Cl\n0.331796 0.165898 0.417773 Cl\n0.834102 0.165898 0.082227 Cl\n0.834102 0.668205 0.417773 Cl\n0.504297 0.495703 0.250000 Cl\n0.668205 0.834103 0.582227 Cl\n0.008595 0.504298 0.750000 Cl\n0.165898 0.834103 0.582227 Cl\n0.165898 0.331796 0.582227 Cl\n0.165898 0.834103 0.917773 Cl\n0.331796 0.165898 0.082227 Cl\n0.504297 0.008595 0.250000 Cl\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"Cl"
],
"chemical_system": "Cl-Mn-Rb",
"density": 3.1701738064802467,
"density_atomic": 0.03868304843602534,
"volume": 775.5335014409346,
"volume_molar": 15.567906365909902,
"formula_full": "Rb6 Mn6 Cl18",
"formula_reduced": "RbMnCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.463479888775862,
"spacegroup": 194
},
{
"id": "jvasp-41215",
"created_at": "2022-09-04T14:37:39.444261Z",
"updated_at": "2022-09-04T14:37:39.444279Z",
"structure_string": "Dy2 Cd1 In1\n1.0\n0.000000 3.725310 3.725310\n3.725310 -0.000000 3.725310\n3.725310 3.725310 -0.000000\nDy Cd In\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Dy\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 In\n",
"nsites": 4,
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"elements": [
"Dy",
"Cd",
"In"
],
"chemical_system": "Cd-Dy-In",
"density": 8.868518101774804,
"density_atomic": 0.03868501245675424,
"volume": 103.39921706039458,
"volume_molar": 15.56711599028724,
"formula_full": "Dy2 Cd1 In1",
"formula_reduced": "Dy2CdIn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.316314125,
"spacegroup": 225
},
{
"id": "jvasp-19891",
"created_at": "2022-09-04T14:36:30.883678Z",
"updated_at": "2022-09-04T14:36:30.883688Z",
"structure_string": "Y1 Cd1\n1.0\n3.725211 0.000000 -0.000000\n-0.000000 3.725211 -0.000000\n-0.000000 0.000000 3.725211\nY Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"Cd"
],
"chemical_system": "Cd-Y",
"density": 6.466608872081365,
"density_atomic": 0.038688096779774396,
"volume": 51.69548689315656,
"volume_molar": 15.565874936366194,
"formula_full": "Y1 Cd1",
"formula_reduced": "YCd",
"formula_anonymous": "AB",
"energy_above_hull": 0.6596468166666667,
"spacegroup": 221
},
{
"id": "jvasp-28579",
"created_at": "2022-09-04T14:37:09.448278Z",
"updated_at": "2022-09-04T14:37:09.448289Z",
"structure_string": "Mo2 W2 Se4 S4\n1.0\n3.257352 -0.000008 -0.000431\n-1.628682 2.820980 0.000038\n-0.004523 -0.002253 33.754069\nMo W Se S\n2 2 4 4\ndirect\n0.333204 0.666539 0.090376 Mo\n0.666717 0.333291 0.280515 Mo\n0.333418 0.666713 0.470581 W\n0.666661 0.333450 0.661445 W\n0.666429 0.333243 0.040117 Se\n0.666599 0.333294 0.419967 Se\n0.666639 0.333128 0.140691 Se\n0.666942 0.333543 0.521193 Se\n0.333554 0.666753 0.326319 S\n0.333538 0.666914 0.707429 S\n0.333147 0.666474 0.234703 S\n0.333160 0.666657 0.615413 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
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"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.373354648454966,
"density_atomic": 0.038689314777010625,
"volume": 310.1631566535383,
"volume_molar": 15.565384899446151,
"formula_full": "Mo2 W2 Se4 S4",
"formula_reduced": "MoW(SeS)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.673542105555556,
"spacegroup": 156
},
{
"id": "jvasp-10704",
"created_at": "2022-09-04T14:37:07.631024Z",
"updated_at": "2022-09-04T14:37:07.631043Z",
"structure_string": "K2 Sn1 As2 S6\n1.0\n3.377262 -5.849589 -0.000000\n3.377262 5.849589 0.000000\n0.000000 0.000000 7.195817\nK Sn As S\n2 1 2 6\ndirect\n0.333333 0.666667 0.403533 K\n0.666667 0.333333 0.596467 K\n0.000000 0.000000 0.000000 Sn\n0.333333 0.666667 0.935181 As\n0.666667 0.333333 0.064819 As\n0.105096 0.767021 0.772505 S\n0.338075 0.105096 0.227495 S\n0.894903 0.232978 0.227495 S\n0.767021 0.661924 0.227495 S\n0.232979 0.338075 0.772505 S\n0.661924 0.894903 0.772505 S\n",
"nsites": 11,
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"elements": [
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],
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"density": 3.1488377141257895,
"density_atomic": 0.03868944260200563,
"volume": 284.3152875877764,
"volume_molar": 15.565333473395185,
"formula_full": "K2 Sn1 As2 S6",
"formula_reduced": "K2Sn(AsS3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 1.5397419272727273,
"spacegroup": 147
},
{
"id": "jvasp-12584",
"created_at": "2022-09-04T14:38:09.940998Z",
"updated_at": "2022-09-04T14:38:09.941029Z",
"structure_string": "Rb4 H2 Br2 O2\n1.0\n0.000000 6.871740 0.099452\n4.457018 0.000000 0.000000\n0.000000 -2.681023 -8.477584\nRb H Br O\n4 2 2 2\ndirect\n0.717292 0.750000 0.963108 Rb\n0.292928 0.250000 0.615087 Rb\n0.707072 0.750000 0.384913 Rb\n0.282709 0.250000 0.036892 Rb\n0.843788 0.250000 0.212036 H\n0.156212 0.750000 0.787963 H\n0.822435 0.250000 0.698348 Br\n0.177565 0.750000 0.301652 Br\n0.693835 0.250000 0.171950 O\n0.306165 0.750000 0.828049 O\n",
"nsites": 10,
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"elements": [
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"H",
"Br",
"O"
],
"chemical_system": "Br-H-O-Rb",
"density": 3.4417147746756207,
"density_atomic": 0.038690923323654376,
"volume": 258.4585515405967,
"volume_molar": 15.564737780031884,
"formula_full": "Rb4 H2 Br2 O2",
"formula_reduced": "Rb2HBrO",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.3270975209999997,
"spacegroup": 11
}
]
}