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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=111",
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"results": [
{
"id": "jvasp-16377",
"created_at": "2022-09-04T14:37:57.674751Z",
"updated_at": "2022-09-04T14:37:57.674765Z",
"structure_string": "Al4 Pt4\n1.0\n4.923696 0.000000 -0.000000\n-0.000000 4.923696 0.000000\n-0.000000 -0.000000 4.923696\nAl Pt\n4 4\ndirect\n0.843317 0.843317 0.843317 Al\n0.656684 0.156684 0.343316 Al\n0.343316 0.656684 0.156684 Al\n0.156684 0.343316 0.656684 Al\n0.158096 0.158096 0.158096 Pt\n0.341905 0.841905 0.658096 Pt\n0.658096 0.341905 0.841905 Pt\n0.841905 0.658096 0.341905 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Pt"
],
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"density": 12.357100077419584,
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"volume": 119.36409024142903,
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"formula_full": "Al4 Pt4",
"formula_reduced": "AlPt",
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"spacegroup": 198
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{
"id": "jvasp-98460",
"created_at": "2022-09-04T14:36:11.917019Z",
"updated_at": "2022-09-04T14:36:11.917048Z",
"structure_string": "Al4 Pt8\n1.0\n4.113315 0.000000 0.000000\n0.000000 5.480551 0.000000\n0.000000 0.000000 7.990255\nAl Pt\n4 8\ndirect\n0.749999 0.307171 0.396387 Al\n0.250000 0.692828 0.603612 Al\n0.749999 0.807171 0.103613 Al\n0.250000 0.192828 0.896387 Al\n0.749999 0.957992 0.792856 Pt\n0.250000 0.042008 0.207143 Pt\n0.749999 0.457992 0.707143 Pt\n0.250000 0.542008 0.292856 Pt\n0.749999 0.840484 0.430724 Pt\n0.250000 0.159516 0.569275 Pt\n0.749999 0.340484 0.069275 Pt\n0.250000 0.659516 0.930724 Pt\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Al",
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"chemical_system": "Al-Pt",
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"volume": 180.1261772904767,
"volume_molar": 9.039543285033051,
"formula_full": "Al4 Pt8",
"formula_reduced": "AlPt2",
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"energy_above_hull": 1.7590518666666668,
"spacegroup": 62
},
{
"id": "jvasp-7681",
"created_at": "2022-09-04T14:36:31.575605Z",
"updated_at": "2022-09-04T14:36:31.575623Z",
"structure_string": "Al4 Ru2\n1.0\n4.549190 -0.006421 -1.121635\n-2.625504 3.715090 -1.121635\n0.002053 0.003958 5.020418\nAl Ru\n4 2\ndirect\n0.796264 0.203736 0.750001 Al\n0.453736 0.546265 0.750001 Al\n0.203736 0.796265 0.250001 Al\n0.546265 0.453736 0.250001 Al\n0.125001 0.875001 0.750001 Ru\n0.875000 0.125000 0.250001 Ru\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Al",
"Ru"
],
"chemical_system": "Al-Ru",
"density": 6.0713677484411255,
"density_atomic": 0.07075128455130476,
"volume": 84.80411398960743,
"volume_molar": 8.511705191208353,
"formula_full": "Al4 Ru2",
"formula_reduced": "Al2Ru",
"formula_anonymous": "AB2",
"energy_above_hull": 2.097722033333333,
"spacegroup": 70
},
{
"id": "jvasp-101746",
"created_at": "2022-09-04T14:36:47.847255Z",
"updated_at": "2022-09-04T14:36:47.847277Z",
"structure_string": "Al4 S6\n1.0\n5.750717 -0.019490 2.942021\n2.164748 5.327757 2.942021\n-0.018173 -0.012187 7.045057\nAl S\n4 6\ndirect\n0.181227 0.987536 0.496897 Al\n0.810446 0.673300 0.509679 Al\n0.987537 0.181226 0.996897 Al\n0.673300 0.810445 0.009678 Al\n0.297571 0.127774 0.113177 S\n0.964586 0.793586 0.124331 S\n0.627380 0.453573 0.130871 S\n0.127775 0.297571 0.613177 S\n0.793586 0.964586 0.624331 S\n0.453573 0.627380 0.630872 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Al",
"S"
],
"chemical_system": "Al-S",
"density": 2.3027525277574528,
"density_atomic": 0.04617633670123176,
"volume": 216.56113746531238,
"volume_molar": 13.04161652961821,
"formula_full": "Al4 S6",
"formula_reduced": "Al2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.6844191200000005,
"spacegroup": 9
},
{
"id": "jvasp-20997",
"created_at": "2022-09-04T14:37:36.723066Z",
"updated_at": "2022-09-04T14:37:36.723086Z",
"structure_string": "Al4 S6 O24\n1.0\n7.112119 0.000807 4.730684\n2.535384 6.644852 4.730684\n0.001172 0.000807 8.541756\nAl S O\n4 6 24\ndirect\n0.142958 0.142959 0.142958 Al\n0.857041 0.857042 0.857041 Al\n0.352181 0.352182 0.352182 Al\n0.647818 0.647819 0.647818 Al\n0.751519 0.036406 0.460439 S\n0.539560 0.248480 0.963595 S\n0.248479 0.963595 0.539561 S\n0.460439 0.751519 0.036405 S\n0.963594 0.539561 0.248479 S\n0.036405 0.460439 0.751519 S\n0.156668 0.520176 0.227407 O\n0.885480 0.737643 0.107209 O\n0.737642 0.107210 0.885480 O\n0.772592 0.843332 0.479824 O\n0.843331 0.479825 0.772593 O\n0.479824 0.772593 0.843332 O\n0.227407 0.156669 0.520176 O\n0.544934 0.182916 0.478976 O\n0.006799 0.619195 0.797447 O\n0.619195 0.797446 0.006799 O\n0.202553 0.993201 0.380805 O\n0.993201 0.380805 0.202553 O\n0.380804 0.202554 0.993201 O\n0.107209 0.885480 0.737643 O\n0.262357 0.892790 0.114520 O\n0.114520 0.262358 0.892791 O\n0.892790 0.114520 0.262357 O\n0.521023 0.455066 0.817084 O\n0.817084 0.521024 0.455065 O\n0.455065 0.817084 0.521024 O\n0.478976 0.544935 0.182916 O\n0.182916 0.478976 0.544935 O\n0.797446 0.006800 0.619195 O\n0.520176 0.227407 0.156668 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Al",
"S",
"O"
],
"chemical_system": "Al-O-S",
"density": 2.81541552321552,
"density_atomic": 0.08424122372449856,
"volume": 403.60287394676476,
"volume_molar": 7.148686229552806,
"formula_full": "Al4 S6 O24",
"formula_reduced": "Al2(SO4)3",
"formula_anonymous": "A2B3C12",
"energy_above_hull": 2.684434564705882,
"spacegroup": 148
},
{
"id": "jvasp-19266",
"created_at": "2022-09-04T14:38:33.186471Z",
"updated_at": "2022-09-04T14:38:33.186495Z",
"structure_string": "Al4 Sb4 O14\n1.0\n6.085190 0.000000 3.513286\n2.028397 5.737171 3.513286\n0.000000 0.000000 7.026571\nAl Sb O\n4 4 14\ndirect\n0.500000 -0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Sb\n0.500000 -0.000000 0.000000 Sb\n-0.000000 -0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.632296 0.117704 0.117704 O\n0.117704 0.117704 0.632296 O\n0.632297 0.632296 0.117704 O\n0.882297 0.367704 0.367704 O\n0.367704 0.882296 0.367704 O\n0.367704 0.367704 0.882297 O\n0.367704 0.882296 0.882297 O\n0.882297 0.367704 0.882297 O\n0.117704 0.632296 0.632297 O\n0.632296 0.117704 0.632297 O\n0.375000 0.375000 0.375000 O\n0.625000 0.625000 0.625001 O\n0.882297 0.882296 0.367704 O\n0.117704 0.632296 0.117704 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Al",
"Sb",
"O"
],
"chemical_system": "Al-O-Sb",
"density": 5.5436425631950925,
"density_atomic": 0.08968241704275032,
"volume": 245.3100699718309,
"volume_molar": 6.714962596435521,
"formula_full": "Al4 Sb4 O14",
"formula_reduced": "Al2Sb2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.432852936363636,
"spacegroup": 227
},
{
"id": "jvasp-95088",
"created_at": "2022-09-04T14:36:05.020297Z",
"updated_at": "2022-09-04T14:36:05.020322Z",
"structure_string": "Al4 Se4 Br12 N4\n1.0\n7.661098 0.038533 0.000000\n-3.301317 8.855755 0.000000\n0.000000 0.000000 9.873732\nAl Se Br N\n4 4 12 4\ndirect\n0.386239 0.158777 0.128591 Al\n0.113761 0.341223 0.628591 Al\n0.886239 0.658777 0.371409 Al\n0.613761 0.841223 0.871409 Al\n0.469806 0.631589 0.464425 Se\n0.530193 0.368411 0.535575 Se\n0.969807 0.131588 0.035575 Se\n0.030192 0.868412 0.964425 Se\n0.118485 0.712763 0.533694 Br\n0.685582 0.624936 0.828879 Br\n0.314418 0.375065 0.171121 Br\n0.381515 0.787238 0.033694 Br\n0.429042 0.046419 0.324235 Br\n0.070958 0.453581 0.824235 Br\n0.929042 0.546419 0.175765 Br\n0.814418 0.875065 0.328879 Br\n0.618485 0.212763 0.966306 Br\n0.570958 0.953581 0.675764 Br\n0.185582 0.124935 0.671121 Br\n0.881515 0.287237 0.466306 Br\n0.653530 0.549248 0.453589 N\n0.846470 0.950752 0.953589 N\n0.346470 0.450752 0.546411 N\n0.153530 0.049248 0.046411 N\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Al",
"Se",
"Br",
"N"
],
"chemical_system": "Al-Br-N-Se",
"density": 3.559508440951433,
"density_atomic": 0.03576018459866326,
"volume": 671.1374750816342,
"volume_molar": 16.84035143438581,
"formula_full": "Al4 Se4 Br12 N4",
"formula_reduced": "AlSeBr3N",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.375495288611111,
"spacegroup": 14
},
{
"id": "jvasp-10862",
"created_at": "2022-09-04T14:38:34.431721Z",
"updated_at": "2022-09-04T14:38:34.431746Z",
"structure_string": "Al4 Se6\n1.0\n6.763729 -0.000000 0.000000\n-3.381864 5.034619 -3.046510\n0.000000 0.015215 7.418078\nAl Se\n4 6\ndirect\n0.638164 0.083379 0.128073 Al\n0.445216 0.083379 0.628074 Al\n0.267331 0.400401 0.116921 Al\n0.133069 0.400401 0.616921 Al\n0.909398 0.988555 0.988357 Se\n0.079158 0.988554 0.488357 Se\n0.593543 0.351217 0.013356 Se\n0.757675 0.351218 0.513356 Se\n0.241955 0.676250 0.003294 Se\n0.434297 0.676251 0.503294 Se\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Al",
"Se"
],
"chemical_system": "Al-Se",
"density": 3.819046433380892,
"density_atomic": 0.03953822009476318,
"volume": 252.91983240602414,
"volume_molar": 15.231188317446867,
"formula_full": "Al4 Se6",
"formula_reduced": "Al2Se3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.4226971400000004,
"spacegroup": 9
},
{
"id": "jvasp-109791",
"created_at": "2022-09-04T14:38:27.288475Z",
"updated_at": "2022-09-04T14:38:27.288511Z",
"structure_string": "Al4 Si1\n1.0\n2.845442 -0.001802 11.202147\n1.398964 2.477790 11.202147\n-0.003089 -0.001802 11.557881\nAl Si\n4 1\ndirect\n0.602130 0.602133 0.602134 Al\n0.200988 0.200989 0.200989 Al\n0.799009 0.799013 0.799013 Al\n0.397866 0.397868 0.397869 Al\n0.000000 0.000000 0.000000 Si\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Al",
"Si"
],
"chemical_system": "Al-Si",
"density": 2.7667202835127784,
"density_atomic": 0.06125055632224905,
"volume": 81.63191161389938,
"volume_molar": 9.831977244935615,
"formula_full": "Al4 Si1",
"formula_reduced": "Al4Si",
"formula_anonymous": "AB4",
"energy_above_hull": 2.1296899600000003,
"spacegroup": 166
},
{
"id": "jvasp-107080",
"created_at": "2022-09-04T14:36:57.565776Z",
"updated_at": "2022-09-04T14:36:57.565800Z",
"structure_string": "Al4 Si1 Pd1\n1.0\n4.052581 -0.013172 6.031388\n1.828352 3.616727 6.031388\n-0.021497 -0.013172 7.266401\nAl Si Pd\n4 1 1\ndirect\n0.630747 0.630749 0.630749 Al\n0.121063 0.121064 0.121064 Al\n0.878934 0.878938 0.878937 Al\n0.369251 0.369252 0.369252 Al\n0.499999 0.500001 0.500000 Si\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 6,
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"elements": [
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"Si",
"Pd"
],
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"density": 3.7508631914258705,
"density_atomic": 0.05590415040638049,
"volume": 107.3265572660452,
"volume_molar": 10.772260585705416,
"formula_full": "Al4 Si1 Pd1",
"formula_reduced": "Al4SiPd",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.07951425,
"spacegroup": 166
},
{
"id": "jvasp-58434",
"created_at": "2022-09-04T14:37:50.802067Z",
"updated_at": "2022-09-04T14:37:50.802084Z",
"structure_string": "Al4 Si2 O10\n1.0\n3.554431 0.000000 0.000000\n-1.777216 4.641022 0.000000\n0.000000 -0.000000 9.181571\nAl Si O\n4 2 10\ndirect\n0.135061 0.270121 0.432554 Al\n0.864938 0.729879 0.567446 Al\n0.135061 0.270121 0.067446 Al\n0.864938 0.729879 0.932554 Al\n0.183773 0.367547 0.750000 Si\n0.816225 0.632452 0.250000 Si\n0.312687 0.625375 0.589453 O\n0.687312 0.374624 0.410547 O\n0.687312 0.374624 0.089453 O\n0.312687 0.625375 0.910547 O\n0.054916 0.109834 0.617881 O\n0.945082 0.890166 0.382119 O\n0.739613 0.479228 0.750000 O\n0.260385 0.520772 0.250000 O\n0.054916 0.109834 0.882119 O\n0.945082 0.890166 0.117881 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Al-O-Si",
"density": 3.5531665359020104,
"density_atomic": 0.10563778117268147,
"volume": 151.46096237903274,
"volume_molar": 5.7007452193224974,
"formula_full": "Al4 Si2 O10",
"formula_reduced": "Al2SiO5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.3186877125,
"spacegroup": 63
},
{
"id": "jvasp-58433",
"created_at": "2022-09-04T14:37:58.222934Z",
"updated_at": "2022-09-04T14:37:58.222948Z",
"structure_string": "Al4 Si2 O10\n1.0\n4.717194 0.000000 0.000000\n-2.358597 4.408935 -1.749872\n0.000000 -0.024430 6.675149\nAl Si O\n4 2 10\ndirect\n0.875633 0.232393 0.272299 Al\n0.143240 0.767606 0.227701 Al\n0.856758 0.232393 0.772299 Al\n0.124365 0.767606 0.727701 Al\n0.499999 0.499999 0.500000 Si\n0.499999 0.499999 0.000000 Si\n0.312198 0.499999 0.750000 O\n0.687800 0.499999 0.250000 O\n0.907897 0.663311 0.952172 O\n0.744586 0.336688 0.547828 O\n0.092101 0.336688 0.047828 O\n0.255412 0.663311 0.452172 O\n0.536772 0.860627 0.145392 O\n0.176145 0.139372 0.354608 O\n0.463226 0.139372 0.854608 O\n0.823853 0.860627 0.645392 O\n",
"nsites": 16,
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"elements": [
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"O"
],
"chemical_system": "Al-O-Si",
"density": 3.8821219705817893,
"density_atomic": 0.11541782437446882,
"volume": 138.6267683238301,
"volume_molar": 5.217686949687589,
"formula_full": "Al4 Si2 O10",
"formula_reduced": "Al2SiO5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.3152152125,
"spacegroup": 15
}
]
}