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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=633",
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"results": [
{
"id": "jvasp-29431",
"created_at": "2022-09-04T14:37:58.167097Z",
"updated_at": "2022-09-04T14:37:58.167129Z",
"structure_string": "Cd4 Sb4 S8 Cl4\n1.0\n3.955727 0.000000 0.000000\n-0.000000 9.587592 0.000000\n0.000000 0.000000 12.573216\nCd Sb S Cl\n4 4 8 4\ndirect\n0.750001 0.000188 0.269140 Cd\n0.250000 0.499812 0.769140 Cd\n0.250000 -0.000188 0.730860 Cd\n0.750001 0.500188 0.230860 Cd\n0.750001 0.812576 0.969930 Sb\n0.750001 0.312576 0.530070 Sb\n0.250000 0.187424 0.030070 Sb\n0.250000 0.687423 0.469930 Sb\n0.750001 0.741238 0.332996 S\n0.250000 0.258762 0.667004 S\n0.250000 0.946881 0.110406 S\n0.250000 0.758762 0.832996 S\n0.750001 0.053119 0.889594 S\n0.250000 0.446881 0.389594 S\n0.750001 0.241238 0.167004 S\n0.750001 0.553119 0.610406 S\n0.750001 0.426241 0.896070 Cl\n0.250000 0.073759 0.396070 Cl\n0.250000 0.573759 0.103930 Cl\n0.750001 0.926241 0.603931 Cl\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Cd",
"Sb",
"S",
"Cl"
],
"chemical_system": "Cd-Cl-S-Sb",
"density": 4.648933518622831,
"density_atomic": 0.04194186742736233,
"volume": 476.8504891833276,
"volume_molar": 14.358303836684282,
"formula_full": "Cd4 Sb4 S8 Cl4",
"formula_reduced": "CdSbS2Cl",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.6360759835000003,
"spacegroup": 62
},
{
"id": "jvasp-29474",
"created_at": "2022-09-04T14:38:06.330243Z",
"updated_at": "2022-09-04T14:38:06.330265Z",
"structure_string": "Cd2 Sb2 S4 Br2\n1.0\n3.980238 0.000000 -0.000000\n-1.990120 6.522275 -0.144115\n-0.000000 -0.028201 9.662690\nCd Sb S Br\n2 2 4 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.283842 0.567684 0.689244 Sb\n0.716158 0.432317 0.310756 Sb\n0.915266 0.830532 0.741328 S\n0.353781 0.707562 0.447565 S\n0.646220 0.292439 0.552434 S\n0.084735 0.169469 0.258672 S\n0.362853 0.725707 0.075578 Br\n0.637147 0.274294 0.924422 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cd",
"Sb",
"S",
"Br"
],
"chemical_system": "Br-Cd-S-Sb",
"density": 5.007583183393937,
"density_atomic": 0.03986775797283032,
"volume": 250.82925422630865,
"volume_molar": 15.105290756766555,
"formula_full": "Cd2 Sb2 S4 Br2",
"formula_reduced": "CdSbS2Br",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.6117079910000002,
"spacegroup": 12
},
{
"id": "jvasp-86104",
"created_at": "2022-09-04T14:35:53.060344Z",
"updated_at": "2022-09-04T14:35:53.060356Z",
"structure_string": "Cd2 Ru1 C6 N6\n1.0\n6.369767 0.000000 0.000000\n-3.184884 5.516381 -0.000000\n-0.000000 -0.000000 6.674365\nCd Ru C N\n2 1 6 6\ndirect\n0.666667 0.333333 0.500121 Cd\n0.333333 0.666667 0.499880 Cd\n0.000000 0.000000 0.000000 Ru\n0.250127 0.000066 0.183222 C\n0.000066 0.749939 0.816778 C\n0.749940 0.749873 0.183222 C\n0.749874 0.999934 0.816778 C\n0.999935 0.250061 0.183222 C\n0.250061 0.250127 0.816778 C\n0.385715 0.385789 0.696121 N\n0.999927 0.385714 0.303880 N\n0.614286 0.614211 0.303880 N\n0.385789 0.000073 0.303880 N\n0.000073 0.614285 0.696121 N\n0.614212 0.999927 0.696121 N\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Cd",
"Ru",
"C",
"N"
],
"chemical_system": "C-Cd-N-Ru",
"density": 3.412755209877636,
"density_atomic": 0.06395927104562035,
"volume": 234.52424886614045,
"volume_molar": 9.415586922034453,
"formula_full": "Cd2 Ru1 C6 N6",
"formula_reduced": "Cd2Ru(CN)6",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 5.627499299999999,
"spacegroup": 162
},
{
"id": "jvasp-86704",
"created_at": "2022-09-04T14:35:42.101491Z",
"updated_at": "2022-09-04T14:35:42.101512Z",
"structure_string": "Cd2 Ru1 C6 N6\n1.0\n6.370397 -0.000000 -0.000000\n-3.185198 5.516925 0.000000\n-0.000000 0.000000 6.672942\nCd Ru C N\n2 1 6 6\ndirect\n0.666667 0.333333 0.499983 Cd\n0.333333 0.666668 0.500017 Cd\n0.000000 0.000000 0.000000 Ru\n0.250095 0.000002 0.183218 C\n0.000002 0.749908 0.816782 C\n0.749908 0.749905 0.183218 C\n0.749905 -0.000002 0.816782 C\n-0.000002 0.250093 0.183218 C\n0.250093 0.250095 0.816782 C\n0.385775 0.385776 0.696140 N\n0.999999 0.385775 0.303860 N\n0.614226 0.614224 0.303860 N\n0.385776 0.000001 0.303860 N\n0.000001 0.614226 0.696140 N\n0.614224 1.000000 0.696140 N\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Cd",
"Ru",
"C",
"N"
],
"chemical_system": "C-Cd-N-Ru",
"density": 3.412808845815018,
"density_atomic": 0.06396027624969913,
"volume": 234.5205630669952,
"volume_molar": 9.415438946026017,
"formula_full": "Cd2 Ru1 C6 N6",
"formula_reduced": "Cd2Ru(CN)6",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 5.627496633333333,
"spacegroup": 162
},
{
"id": "jvasp-85389",
"created_at": "2022-09-04T14:36:12.485486Z",
"updated_at": "2022-09-04T14:36:12.485499Z",
"structure_string": "Cd1 Pd1 C6 N6\n1.0\n6.746639 0.000015 3.895170\n2.248887 6.360804 3.895182\n-0.000006 0.000010 7.790352\nCd Pd C N\n1 1 6 6\ndirect\n0.000000 0.000000 0.000000 Cd\n0.499998 0.499999 0.499999 Pd\n0.317459 0.682542 0.317457 C\n0.317457 0.682542 0.682543 C\n0.682544 0.317456 0.317457 C\n0.317457 0.317458 0.682543 C\n0.682544 0.682542 0.317457 C\n0.682545 0.317456 0.682544 C\n0.787822 0.787819 0.212178 N\n0.787820 0.212180 0.787820 N\n0.212179 0.787821 0.787821 N\n0.787820 0.212180 0.212181 N\n0.212179 0.787819 0.212179 N\n0.212179 0.212178 0.787821 N\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Cd",
"Pd",
"C",
"N"
],
"chemical_system": "C-Cd-N-Pd",
"density": 1.8622987543384895,
"density_atomic": 0.041876641510896546,
"volume": 334.3152529640448,
"volume_molar": 14.380667939746322,
"formula_full": "Cd1 Pd1 C6 N6",
"formula_reduced": "CdPd(CN)6",
"formula_anonymous": "ABC6D6",
"energy_above_hull": 5.940072496428571,
"spacegroup": 225
},
{
"id": "jvasp-94842",
"created_at": "2022-09-04T14:36:03.152565Z",
"updated_at": "2022-09-04T14:36:03.152590Z",
"structure_string": "Cd1 Pb2 Cl2 O2\n1.0\n0.000000 -3.875730 0.000000\n5.215121 -1.937865 -3.318093\n5.221716 -1.937865 4.295976\nCd Pb Cl O\n1 2 2 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.186548 0.383257 0.243644 Pb\n0.813449 0.616743 0.756357 Pb\n0.436142 0.823141 0.304571 Cl\n0.563855 0.176858 0.695430 Cl\n0.193256 0.683471 0.930013 O\n0.806741 0.316528 0.069988 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Cd",
"Pb",
"Cl",
"O"
],
"chemical_system": "Cd-Cl-O-Pb",
"density": 6.790780711153135,
"density_atomic": 0.04545943762073729,
"volume": 153.9834271246418,
"volume_molar": 13.247283897882784,
"formula_full": "Cd1 Pb2 Cl2 O2",
"formula_reduced": "CdPb2(ClO)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 0.4053837892857141,
"spacegroup": 12
},
{
"id": "jvasp-29226",
"created_at": "2022-09-04T14:35:53.990137Z",
"updated_at": "2022-09-04T14:35:53.990161Z",
"structure_string": "Cd2 P4 H8 O8\n1.0\n5.202972 0.000000 -1.877546\n-0.472320 6.343765 -1.308870\n-0.041444 0.026906 8.033048\nCd P H O\n2 4 8 8\ndirect\n0.175763 0.750001 0.000000 Cd\n0.824236 0.250000 -0.000000 Cd\n0.545767 0.772532 0.713167 P\n0.832600 0.727469 0.286833 P\n0.454233 0.227469 0.286833 P\n0.167400 0.272532 0.713167 P\n0.614478 0.566283 0.659177 H\n0.077582 0.356543 0.554318 H\n0.385522 0.433719 0.340823 H\n0.044700 0.066282 0.659178 H\n0.476736 0.856543 0.554318 H\n0.922418 0.643459 0.445682 H\n0.523264 0.143458 0.445682 H\n0.955301 0.933719 0.340823 H\n0.690215 0.237128 0.232796 O\n0.457419 0.262873 0.767204 O\n0.939414 0.604928 0.146373 O\n0.206959 0.104928 0.146374 O\n0.060586 0.395073 0.853627 O\n0.542581 0.737128 0.232796 O\n0.309785 0.762874 0.767204 O\n0.793041 0.895073 0.853627 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Cd",
"P",
"H",
"O"
],
"chemical_system": "Cd-H-O-P",
"density": 3.039349585078172,
"density_atomic": 0.08306409461111915,
"volume": 264.8557129647571,
"volume_molar": 7.249992657108747,
"formula_full": "Cd2 P4 H8 O8",
"formula_reduced": "CdP2(HO)4",
"formula_anonymous": "AB2C4D4",
"energy_above_hull": 2.537538613636364,
"spacegroup": 15
},
{
"id": "jvasp-86782",
"created_at": "2022-09-04T14:38:11.909448Z",
"updated_at": "2022-09-04T14:38:11.909469Z",
"structure_string": "Cd2 Os1 C6 N6\n1.0\n6.382181 -0.000000 0.000000\n-3.191091 5.527131 -0.000000\n-0.000000 0.000000 6.674901\nCd Os C N\n2 1 6 6\ndirect\n0.333333 0.666667 0.500031 Cd\n0.666667 0.333333 0.499969 Cd\n0.000000 0.000000 0.000000 Os\n0.999977 0.748645 0.816264 C\n0.251355 0.251333 0.816264 C\n0.748667 0.000023 0.816264 C\n0.251333 0.999977 0.183735 C\n0.748645 0.748667 0.183735 C\n0.000023 0.251355 0.183735 C\n0.612029 0.612046 0.303339 N\n0.000017 0.387971 0.303339 N\n0.612046 0.000017 0.696661 N\n0.387953 0.999983 0.303339 N\n0.999983 0.612029 0.696661 N\n0.387971 0.387953 0.696661 N\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Cd",
"Os",
"C",
"N"
],
"chemical_system": "C-Cd-N-Os",
"density": 4.028009086005454,
"density_atomic": 0.06370559195397242,
"volume": 235.45813703195108,
"volume_molar": 9.453080295291853,
"formula_full": "Cd2 Os1 C6 N6",
"formula_reduced": "Cd2Os(CN)6",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 5.7479876,
"spacegroup": 162
},
{
"id": "jvasp-86180",
"created_at": "2022-09-04T14:35:46.591822Z",
"updated_at": "2022-09-04T14:35:46.591842Z",
"structure_string": "Cd2 Os1 C6 N6\n1.0\n6.381253 0.000000 0.000000\n-3.190626 5.526327 0.000000\n0.000000 0.000000 6.676646\nCd Os C N\n2 1 6 6\ndirect\n0.333333 0.666667 0.500073 Cd\n0.666667 0.333333 0.499928 Cd\n0.000000 0.000000 0.000000 Os\n0.999958 0.748627 0.816273 C\n0.251373 0.251332 0.816273 C\n0.748668 0.000042 0.816273 C\n0.251331 0.999959 0.183728 C\n0.748626 0.748669 0.183728 C\n0.000042 0.251374 0.183728 C\n0.612035 0.612082 0.303350 N\n0.000046 0.387965 0.303350 N\n0.612081 0.000046 0.696651 N\n0.387918 0.999955 0.303350 N\n0.999953 0.612036 0.696651 N\n0.387964 0.387919 0.696651 N\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Cd",
"Os",
"C",
"N"
],
"chemical_system": "C-Cd-N-Os",
"density": 4.028127903215336,
"density_atomic": 0.06370747112567444,
"volume": 235.4511917512752,
"volume_molar": 9.452801458906201,
"formula_full": "Cd2 Os1 C6 N6",
"formula_reduced": "Cd2Os(CN)6",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 5.7479896,
"spacegroup": 162
},
{
"id": "jvasp-29884",
"created_at": "2022-09-04T14:37:30.589471Z",
"updated_at": "2022-09-04T14:37:30.589504Z",
"structure_string": "Cd2 In2 Ga2 S8\n1.0\n3.897464 0.000000 -0.000000\n-1.948732 3.375303 -0.000000\n-0.000000 -0.000000 25.214967\nCd In Ga S\n2 2 2 8\ndirect\n0.000000 -0.000000 0.242096 Cd\n0.000000 -0.000000 0.757904 Cd\n0.666666 0.333333 0.394228 In\n0.333333 0.666666 0.605772 In\n0.666666 0.333333 0.902262 Ga\n0.333333 0.666666 0.097738 Ga\n0.666666 0.333333 0.559786 S\n0.333333 0.666666 0.700943 S\n0.666666 0.333333 0.060798 S\n0.333333 0.666666 0.440214 S\n0.666666 0.333333 0.814546 S\n0.666666 0.333333 0.299057 S\n0.333333 0.666666 0.185454 S\n0.333333 0.666666 0.939202 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Cd",
"In",
"Ga",
"S"
],
"chemical_system": "Cd-Ga-In-S",
"density": 4.257271265925651,
"density_atomic": 0.04220605434004049,
"volume": 331.70596538606856,
"volume_molar": 14.268428674904232,
"formula_full": "Cd2 In2 Ga2 S8",
"formula_reduced": "CdInGaS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.684930292142857,
"spacegroup": 164
},
{
"id": "jvasp-29780",
"created_at": "2022-09-04T14:38:05.660127Z",
"updated_at": "2022-09-04T14:38:05.660149Z",
"structure_string": "Cd1 In1 Ga1 S4\n1.0\n4.028362 -0.000000 0.000000\n-2.014181 3.488663 -0.000000\n0.000000 0.000000 12.608231\nCd In Ga S\n1 1 1 4\ndirect\n0.000000 0.000000 0.543468 Cd\n0.333333 0.666666 0.830229 In\n0.333333 0.666666 0.261077 Ga\n0.000000 0.000000 0.343172 S\n0.666667 0.333333 0.905393 S\n0.333333 0.666666 0.626809 S\n0.333333 0.666666 0.094852 S\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Cd",
"In",
"Ga",
"S"
],
"chemical_system": "Cd-Ga-In-S",
"density": 3.984858852920524,
"density_atomic": 0.03950539178226099,
"volume": 177.19100315676891,
"volume_molar": 15.24384517736667,
"formula_full": "Cd1 In1 Ga1 S4",
"formula_reduced": "CdInGaS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.7175374349999999,
"spacegroup": 156
},
{
"id": "jvasp-102792",
"created_at": "2022-09-04T14:36:52.154161Z",
"updated_at": "2022-09-04T14:36:52.154188Z",
"structure_string": "Cd2 In1 Cu1 Se4\n1.0\n7.320770 0.009851 3.669840\n6.080558 4.076834 3.669840\n0.006053 0.001846 7.348499\nCd In Cu Se\n2 1 1 4\ndirect\n0.497290 0.497289 0.184729 Cd\n0.996620 0.996618 0.654108 Cd\n0.750905 0.750905 0.596223 In\n0.252119 0.252119 0.066009 Cu\n0.076506 0.076507 0.252138 Se\n0.562077 0.562077 0.773996 Se\n0.806805 0.806805 0.882338 Se\n0.305041 0.305041 0.340460 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Cd",
"In",
"Cu",
"Se"
],
"chemical_system": "Cd-Cu-In-Se",
"density": 5.457374140660304,
"density_atomic": 0.036566216260772604,
"volume": 218.78118159526983,
"volume_molar": 16.469138390072953,
"formula_full": "Cd2 In1 Cu1 Se4",
"formula_reduced": "Cd2InCuSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.0618629233333333,
"spacegroup": 8
}
]
}