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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=1551",
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"results": [
{
"id": "jvasp-20210",
"created_at": "2022-09-04T14:37:33.783110Z",
"updated_at": "2022-09-04T14:37:33.783129Z",
"structure_string": "Si2 Ir6\n1.0\n4.649093 -0.000000 -2.551502\n-1.400308 4.433193 -2.551502\n-0.003386 -0.004621 5.505137\nSi Ir\n2 6\ndirect\n0.249999 0.750000 0.500000 Si\n0.749999 0.250000 0.500000 Si\n0.249999 0.250000 0.500000 Ir\n0.749999 0.750000 0.500000 Ir\n0.183675 0.683675 -0.000000 Ir\n0.316324 0.183676 -0.000000 Ir\n0.683675 0.816323 -0.000000 Ir\n0.816323 0.316324 -0.000000 Ir\n",
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{
"id": "jvasp-67973",
"created_at": "2022-09-04T14:35:55.565398Z",
"updated_at": "2022-09-04T14:35:55.565430Z",
"structure_string": "Be1 V2 Cd1\n1.0\n-1.896778 1.896778 3.938503\n1.896778 -1.896778 3.938503\n1.896778 1.896778 -3.938503\nBe V Cd\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 V\n0.250000 0.750000 0.500001 V\n0.750000 0.250000 0.500001 Cd\n",
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"elements": [
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"volume": 56.67926104554951,
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"formula_full": "Be1 V2 Cd1",
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},
{
"id": "jvasp-42815",
"created_at": "2022-09-04T14:36:21.373531Z",
"updated_at": "2022-09-04T14:36:21.373557Z",
"structure_string": "Na4 V2 O6\n1.0\n0.000000 6.316852 0.000000\n-5.480080 3.158426 0.000000\n0.000000 0.000000 4.912066\nNa V O\n4 2 6\ndirect\n0.501050 0.668313 0.007955 Na\n0.830638 0.668313 0.507955 Na\n0.498950 0.331687 0.507955 Na\n0.169363 0.331687 0.007955 Na\n0.830701 0.000000 0.045460 V\n0.169299 0.000000 0.545460 V\n0.838221 0.722824 0.987767 O\n0.438955 0.722824 0.487767 O\n0.561045 0.277176 0.987767 O\n0.161779 0.277176 0.487767 O\n0.886873 0.000000 0.421099 O\n0.113127 0.000000 0.921099 O\n",
"nsites": 12,
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"elements": [
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"density": 2.8304360229530467,
"density_atomic": 0.07057151687102402,
"volume": 170.04027307406628,
"volume_molar": 8.533387161007209,
"formula_full": "Na4 V2 O6",
"formula_reduced": "Na2VO3",
"formula_anonymous": "AB2C3",
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"spacegroup": 36
},
{
"id": "jvasp-39706",
"created_at": "2022-09-04T14:37:43.712914Z",
"updated_at": "2022-09-04T14:37:43.712941Z",
"structure_string": "Ga2 Ir1 Rh1\n1.0\n0.000000 3.048839 3.048839\n3.048839 -0.000000 3.048839\n3.048839 3.048839 0.000000\nGa Ir Rh\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500001 0.500001 0.500001 Ga\n0.249999 0.249999 0.249999 Ir\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
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"elements": [
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"Ir",
"Rh"
],
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"density": 12.731332811030509,
"density_atomic": 0.07057104072377789,
"volume": 56.68047344882443,
"volume_molar": 8.533444736306585,
"formula_full": "Ga2 Ir1 Rh1",
"formula_reduced": "Ga2IrRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5339096875,
"spacegroup": 225
},
{
"id": "jvasp-10023",
"created_at": "2022-09-04T14:37:27.382261Z",
"updated_at": "2022-09-04T14:37:27.382285Z",
"structure_string": "Mg2 Sn4 O8\n1.0\n6.492137 -0.303622 0.014617\n2.983124 5.774166 0.014617\n3.170354 1.830405 5.177167\nMg Sn O\n2 4 8\ndirect\n0.124999 0.625001 0.625001 Mg\n0.624999 0.125001 0.625001 Mg\n0.011971 0.011973 0.988028 Sn\n0.238027 0.238028 0.261973 Sn\n0.624999 0.625000 0.125001 Sn\n0.624999 0.625001 0.625001 Sn\n0.390227 0.390229 0.382785 O\n0.411877 0.806786 0.390669 O\n0.390227 0.390229 0.836761 O\n0.806785 0.411878 0.390669 O\n0.443213 0.838123 0.859333 O\n0.838121 0.443215 0.859333 O\n0.859770 0.859772 0.413241 O\n0.859770 0.859773 0.867217 O\n",
"nsites": 14,
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"elements": [
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"Sn",
"O"
],
"chemical_system": "Mg-O-Sn",
"density": 5.452687996725463,
"density_atomic": 0.0705686318775351,
"volume": 198.38842878937513,
"volume_molar": 8.533736023748952,
"formula_full": "Mg2 Sn4 O8",
"formula_reduced": "Mg(SnO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.293668064285714,
"spacegroup": 74
},
{
"id": "jvasp-41695",
"created_at": "2022-09-04T14:37:35.650707Z",
"updated_at": "2022-09-04T14:37:35.650726Z",
"structure_string": "Ti2 Co1 Ir1\n1.0\n0.000000 3.048915 3.048915\n3.048915 -0.000000 3.048915\n3.048915 3.048915 0.000000\nTi Co Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499998 0.499998 0.499998 Ti\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
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"elements": [
"Ti",
"Co",
"Ir"
],
"chemical_system": "Co-Ir-Ti",
"density": 10.161730286007225,
"density_atomic": 0.07056576350345209,
"volume": 56.684712265662924,
"volume_molar": 8.534082905098018,
"formula_full": "Ti2 Co1 Ir1",
"formula_reduced": "Ti2CoIr",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-32420",
"created_at": "2022-09-04T14:38:06.397150Z",
"updated_at": "2022-09-04T14:38:06.397179Z",
"structure_string": "Sb2 P2 O4 F12\n1.0\n5.317889 -0.042446 1.206377\n0.752854 7.301129 0.221783\n-0.103560 0.090711 7.270997\nSb P O F\n2 2 4 12\ndirect\n0.580909 0.238869 0.749545 Sb\n0.419091 0.761130 0.250455 Sb\n0.226600 0.194427 0.168394 P\n0.773400 0.805572 0.831607 P\n0.559011 0.726457 0.968191 O\n0.784458 0.010448 0.828889 O\n0.440988 0.273542 0.031810 O\n0.215541 0.989552 0.171111 O\n0.684452 0.914145 0.244072 F\n0.315548 0.085855 0.755928 F\n0.150710 0.628195 0.219343 F\n0.849290 0.371804 0.780658 F\n0.616810 0.547490 0.304575 F\n0.236038 0.259944 0.364100 F\n0.726679 0.183295 0.495885 F\n0.026073 0.719179 0.868774 F\n0.763961 0.740056 0.635901 F\n0.383189 0.452510 0.695425 F\n0.273321 0.816705 0.504115 F\n0.973926 0.280820 0.131226 F\n",
"nsites": 20,
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"elements": [
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"O",
"F"
],
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"density": 3.500286315322511,
"density_atomic": 0.0705644300072968,
"volume": 283.4289173445017,
"volume_molar": 8.534244178514973,
"formula_full": "Sb2 P2 O4 F12",
"formula_reduced": "SbP(OF3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.7898790295000003,
"spacegroup": 2
},
{
"id": "jvasp-98653",
"created_at": "2022-09-04T14:36:02.794348Z",
"updated_at": "2022-09-04T14:36:02.794363Z",
"structure_string": "Pd2 Au4 F16\n1.0\n5.103291 0.060537 0.000000\n0.058464 5.543463 0.000000\n0.000000 0.000000 11.022166\nPd Au F\n2 4 16\ndirect\n0.500000 0.000000 0.000000 Pd\n-0.000000 0.500000 0.500000 Pd\n0.273054 0.013166 0.684784 Au\n0.773054 0.513166 0.815217 Au\n0.726944 0.986834 0.315217 Au\n0.226945 0.486834 0.184784 Au\n0.783477 0.195078 0.899209 F\n0.716522 0.304923 0.399209 F\n0.280342 0.319794 0.771256 F\n0.219657 0.180206 0.271256 F\n0.719657 0.680206 0.228744 F\n0.244605 0.176250 0.524755 F\n0.291522 0.851271 0.846236 F\n0.791523 0.351272 0.653765 F\n0.708477 0.148729 0.153764 F\n0.283477 0.695077 0.600791 F\n0.216522 0.804922 0.100791 F\n0.744604 0.676250 0.975246 F\n0.755394 0.823750 0.475245 F\n0.255395 0.323750 0.024755 F\n0.208476 0.648728 0.346236 F\n0.780342 0.819794 0.728744 F\n",
"nsites": 22,
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"elements": [
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"Au",
"F"
],
"chemical_system": "Au-F-Pd",
"density": 6.9487909546129805,
"density_atomic": 0.07056325125494806,
"volume": 311.7770171971393,
"volume_molar": 8.534386742245971,
"formula_full": "Pd2 Au4 F16",
"formula_reduced": "Pd(AuF4)2",
"formula_anonymous": "AB2C8",
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"spacegroup": 14
},
{
"id": "jvasp-101585",
"created_at": "2022-09-04T14:36:44.686825Z",
"updated_at": "2022-09-04T14:36:44.686850Z",
"structure_string": "Mg1 V1 Rh2\n1.0\n3.734190 -0.000000 2.155935\n1.244730 3.520628 2.155935\n-0.000000 -0.000000 4.311871\nMg V Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500001 Mg\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750001 Rh\n",
"nsites": 4,
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"density_atomic": 0.07056310480516552,
"volume": 56.686848049622434,
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"formula_full": "Mg1 V1 Rh2",
"formula_reduced": "MgVRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.2081448125,
"spacegroup": 225
},
{
"id": "jvasp-98719",
"created_at": "2022-09-04T14:35:55.580560Z",
"updated_at": "2022-09-04T14:35:55.580589Z",
"structure_string": "As2 Cl2 F16\n1.0\n5.409322 -0.029708 1.568657\n-0.144306 5.407479 1.568657\n0.380280 0.388424 9.918421\nAs Cl F\n2 2 16\ndirect\n0.499999 0.499999 0.500000 As\n0.000000 0.000000 0.000000 As\n0.401458 0.098541 0.250000 Cl\n0.598541 0.901458 0.750001 Cl\n0.724558 0.394895 0.366954 F\n0.105104 0.775442 0.133047 F\n0.275441 0.605104 0.633047 F\n0.894895 0.224557 0.866954 F\n0.369596 0.684539 0.355288 F\n0.815460 0.130402 0.144713 F\n0.103333 0.081230 0.336043 F\n0.296679 0.244092 0.535686 F\n0.255908 0.203319 0.964315 F\n0.703319 0.755907 0.464315 F\n0.744091 0.796680 0.035686 F\n0.581230 0.603332 0.836043 F\n0.896666 0.918769 0.663958 F\n0.418769 0.396667 0.163958 F\n0.184539 0.869597 0.855288 F\n0.630402 0.315460 0.644713 F\n",
"nsites": 20,
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"elements": [
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],
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"density": 3.073975315912496,
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"volume": 283.45189288806733,
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"spacegroup": 15
},
{
"id": "jvasp-50866",
"created_at": "2022-09-04T14:37:18.799552Z",
"updated_at": "2022-09-04T14:37:18.799580Z",
"structure_string": "Li1 Co1 S2\n1.0\n3.410181 0.001458 -0.004246\n1.703813 2.954111 -0.004549\n0.006495 0.004278 5.628998\nLi Co S\n1 1 2\ndirect\n0.501245 0.490581 0.000298 Li\n0.501246 0.490706 0.500270 Co\n0.834560 0.824008 0.293317 S\n0.167918 0.157394 0.707217 S\n",
"nsites": 4,
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],
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},
{
"id": "jvasp-99896",
"created_at": "2022-09-04T14:36:14.296791Z",
"updated_at": "2022-09-04T14:36:14.296818Z",
"structure_string": "Zr1 Al1 Ni2\n1.0\n2.919756 0.000000 -0.000000\n-0.000000 2.919756 -0.000000\n0.000000 -0.000000 6.650249\nZr Al Ni\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Al\n0.500001 0.500001 0.212380 Ni\n0.500001 0.500001 0.787620 Ni\n",
"nsites": 4,
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}
]
}