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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=940",
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"results": [
{
"id": "jvasp-10175",
"created_at": "2022-09-04T14:37:18.768128Z",
"updated_at": "2022-09-04T14:37:18.768153Z",
"structure_string": "Cd2 Ge4 O10\n1.0\n5.394610 -0.073318 0.043379\n-1.613095 5.389770 -0.011519\n-1.485566 -2.374064 6.412585\nCd Ge O\n2 4 10\ndirect\n0.658908 0.308525 0.768346 Cd\n0.341090 0.691476 0.231655 Cd\n0.686821 0.319489 0.250903 Ge\n0.313177 0.680511 0.749098 Ge\n-0.000000 0.000000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.290185 0.872134 0.586043 O\n0.709814 0.127866 0.413957 O\n0.619332 0.783523 0.956154 O\n0.380667 0.216477 0.043846 O\n0.057004 0.673485 0.877033 O\n0.942995 0.326515 0.122967 O\n0.089219 0.945173 0.251437 O\n0.910780 0.054828 0.748564 O\n0.718659 0.644030 0.398918 O\n0.281340 0.355970 0.601083 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cd",
"Ge",
"O"
],
"chemical_system": "Cd-Ge-O",
"density": 6.027668924775851,
"density_atomic": 0.08599528732373633,
"volume": 186.05670726776788,
"volume_molar": 7.002873003178832,
"formula_full": "Cd2 Ge4 O10",
"formula_reduced": "CdGe2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.50720239375,
"spacegroup": 2
},
{
"id": "jvasp-29915",
"created_at": "2022-09-04T14:37:08.226429Z",
"updated_at": "2022-09-04T14:37:08.226460Z",
"structure_string": "Cd2 H2 Cl2 O2\n1.0\n3.707446 0.000000 0.000000\n-1.853723 3.210733 0.000000\n0.000000 0.000000 10.267161\nCd H Cl O\n2 2 2 2\ndirect\n0.666669 0.333335 0.508352 Cd\n0.333332 0.666664 0.008352 Cd\n0.000004 0.000007 0.683188 H\n0.999998 0.999992 0.183188 H\n0.666669 0.333336 0.841406 Cl\n0.333333 0.666664 0.341406 Cl\n0.000001 0.000003 0.587465 O\n1.000000 0.999996 0.087465 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Cd",
"H",
"Cl",
"O"
],
"chemical_system": "Cd-Cl-H-O",
"density": 4.480173807286323,
"density_atomic": 0.06545767701303852,
"volume": 122.21637499305818,
"volume_molar": 9.200052667314255,
"formula_full": "Cd2 H2 Cl2 O2",
"formula_reduced": "CdHClO",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.5089593293749999,
"spacegroup": 186
},
{
"id": "jvasp-12922",
"created_at": "2022-09-04T14:37:08.690948Z",
"updated_at": "2022-09-04T14:37:08.690968Z",
"structure_string": "Cd2 H4 O4\n1.0\n3.310701 0.114443 -0.987603\n-0.798034 5.029592 -2.669695\n-0.054937 -0.090852 6.143742\nCd H O\n2 4 4\ndirect\n0.849786 0.875410 0.690495 Cd\n0.159267 0.184921 0.309503 Cd\n0.149414 0.651470 0.273850 H\n0.875530 0.377624 0.726144 H\n0.358154 0.705344 0.000001 H\n0.505890 0.310228 -0.000003 H\n0.790997 0.198037 0.566600 O\n0.224419 0.631437 0.433404 O\n0.074039 0.712652 0.000009 O\n0.515504 0.139875 -0.000000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cd",
"H",
"O"
],
"chemical_system": "Cd-H-O",
"density": 4.780083550292653,
"density_atomic": 0.09829674683556476,
"volume": 101.7327665657995,
"volume_molar": 6.126490401634664,
"formula_full": "Cd2 H4 O4",
"formula_reduced": "Cd(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5002493500000005,
"spacegroup": 8
},
{
"id": "jvasp-54670",
"created_at": "2022-09-04T14:37:53.395932Z",
"updated_at": "2022-09-04T14:37:53.395953Z",
"structure_string": "Cd2 H4 O4\n1.0\n3.457139 -0.031803 0.000778\n-0.113713 5.747644 -0.066611\n-1.672359 -2.797152 5.152433\nCd H O\n2 4 4\ndirect\n0.170031 0.152508 0.315948 Cd\n0.860577 0.842953 0.696918 Cd\n0.516788 0.717628 0.006466 H\n0.368846 0.322722 0.006436 H\n0.886320 0.376376 0.732603 H\n0.160155 0.650248 0.280237 H\n0.526351 0.887979 0.006409 O\n0.084756 0.315261 0.006420 O\n0.801766 0.396396 0.572994 O\n0.235224 0.829808 0.439815 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cd",
"H",
"O"
],
"chemical_system": "Cd-H-O",
"density": 4.780573596925679,
"density_atomic": 0.0983068240631524,
"volume": 101.72233815198821,
"volume_molar": 6.125862387875913,
"formula_full": "Cd2 H4 O4",
"formula_reduced": "Cd(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5002393500000002,
"spacegroup": 8
},
{
"id": "jvasp-16473",
"created_at": "2022-09-04T14:38:17.414125Z",
"updated_at": "2022-09-04T14:38:17.414146Z",
"structure_string": "Cd2 Hg1\n1.0\n3.721290 0.000000 -1.535722\n-0.633771 3.666925 -1.535722\n-0.019864 -0.023592 5.228356\nCd Hg\n2 1\ndirect\n0.333886 0.333886 0.667772 Cd\n0.666116 0.666116 0.332231 Cd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg",
"density": 9.93899971774104,
"density_atomic": 0.04220900350802593,
"volume": 71.07488333453686,
"volume_molar": 14.267431731371975,
"formula_full": "Cd2 Hg1",
"formula_reduced": "Cd2Hg",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2081083333333333,
"spacegroup": 139
},
{
"id": "jvasp-57075",
"created_at": "2022-09-04T14:37:41.860507Z",
"updated_at": "2022-09-04T14:37:41.860528Z",
"structure_string": "Cd2 Hg4 S2 O12\n1.0\n6.863074 0.022566 0.051200\n3.292233 6.529179 -0.033359\n3.017050 0.928499 6.737465\nCd Hg S O\n2 4 2 12\ndirect\n0.671192 0.871237 0.775086 Cd\n0.328807 0.128764 0.224913 Cd\n0.162903 0.361718 0.779781 Hg\n0.334576 0.635228 0.220405 Hg\n0.665422 0.364774 0.779594 Hg\n0.837096 0.638283 0.220218 Hg\n0.207964 0.864834 0.699038 S\n0.792035 0.135167 0.300961 S\n0.682946 0.308442 0.418544 O\n0.142642 0.467192 0.273320 O\n0.199848 0.064395 0.566719 O\n0.857357 0.532809 0.726679 O\n0.800151 0.935606 0.433280 O\n0.967841 0.886023 0.830869 O\n0.341391 0.825891 0.830820 O\n0.545562 0.798483 0.136531 O\n0.317053 0.691559 0.581456 O\n0.032158 0.113978 0.169130 O\n0.454437 0.201518 0.863468 O\n0.658608 0.174110 0.169179 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Cd",
"Hg",
"S",
"O"
],
"chemical_system": "Cd-Hg-O-S",
"density": 7.085189498346855,
"density_atomic": 0.06649707611950599,
"volume": 300.7651037777476,
"volume_molar": 9.056248953228021,
"formula_full": "Cd2 Hg4 S2 O12",
"formula_reduced": "CdHg2SO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.2300729949999996,
"spacegroup": 2
},
{
"id": "jvasp-25859",
"created_at": "2022-09-04T14:37:55.866269Z",
"updated_at": "2022-09-04T14:37:55.866292Z",
"structure_string": "Cd2 Hg4 Se2 O12\n1.0\n6.994555 0.010564 0.054941\n3.187031 6.551788 -0.019383\n2.858649 0.883143 6.969537\nCd Hg Se O\n2 4 2 12\ndirect\n0.332567 0.135549 0.212915 Cd\n0.667434 0.864450 0.787086 Cd\n0.841591 0.642138 0.209869 Hg\n0.158410 0.357861 0.790132 Hg\n0.660938 0.360623 0.791027 Hg\n0.339063 0.639376 0.208973 Hg\n0.796835 0.132142 0.311243 Se\n0.203165 0.867857 0.688757 Se\n0.853573 0.524668 0.748835 O\n0.365091 0.791619 0.831119 O\n0.549342 0.800618 0.136938 O\n0.223634 0.083650 0.546666 O\n0.146428 0.475332 0.251166 O\n0.450658 0.199381 0.863062 O\n0.776367 0.916349 0.453334 O\n0.938379 0.924024 0.836353 O\n0.720208 0.323251 0.434520 O\n0.634910 0.208380 0.168882 O\n0.279793 0.676748 0.565480 O\n0.061621 0.075975 0.163647 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Cd",
"Hg",
"Se",
"O"
],
"chemical_system": "Cd-Hg-O-Se",
"density": 7.181863569947531,
"density_atomic": 0.06281367608429932,
"volume": 318.40199852590905,
"volume_molar": 9.587308266941685,
"formula_full": "Cd2 Hg4 Se2 O12",
"formula_reduced": "CdHg2SeO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.2018773316666669,
"spacegroup": 2
},
{
"id": "jvasp-103593",
"created_at": "2022-09-04T14:36:35.701325Z",
"updated_at": "2022-09-04T14:36:35.701351Z",
"structure_string": "Cd2 Hg6\n1.0\n6.752628 0.000000 0.000000\n-3.376313 5.847948 0.000000\n-0.000000 0.000000 5.327964\nCd Hg\n2 6\ndirect\n0.333334 0.666667 0.749999 Cd\n0.666667 0.333333 0.250000 Cd\n0.168260 0.336520 0.250000 Hg\n0.663481 0.831741 0.250000 Hg\n0.168260 0.831741 0.250000 Hg\n0.831741 0.663480 0.749999 Hg\n0.336520 0.168259 0.749999 Hg\n0.831741 0.168259 0.749999 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg",
"density": 11.273266556558443,
"density_atomic": 0.038023525157939796,
"volume": 210.39606314170211,
"volume_molar": 15.837933844864725,
"formula_full": "Cd2 Hg6",
"formula_reduced": "CdHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0015775,
"spacegroup": 194
},
{
"id": "jvasp-28430",
"created_at": "2022-09-04T14:37:03.758742Z",
"updated_at": "2022-09-04T14:37:03.758762Z",
"structure_string": "Cd2 I2 Br2\n1.0\n-2.084250 -3.610027 -0.000000\n2.084250 -3.610027 -0.000000\n-0.000000 -2.406685 13.102090\nCd I Br\n2 2 2\ndirect\n0.711667 0.711667 0.865003 Cd\n0.212137 0.212137 0.363592 Cd\n0.000168 0.000168 0.999498 I\n0.833989 0.833989 0.498035 I\n0.584583 0.584583 0.246253 Br\n0.417461 0.417461 0.747618 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cd",
"I",
"Br"
],
"chemical_system": "Br-Cd-I",
"density": 5.376970218923871,
"density_atomic": 0.03043129374146042,
"volume": 197.16545904932846,
"volume_molar": 19.789302456751194,
"formula_full": "Cd2 I2 Br2",
"formula_reduced": "CdIBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 160
},
{
"id": "jvasp-5485",
"created_at": "2022-09-04T14:35:49.231542Z",
"updated_at": "2022-09-04T14:35:49.231570Z",
"structure_string": "Cd2 I4\n1.0\n2.142630 -3.711143 0.000000\n2.142630 3.711143 0.000000\n0.000000 0.000000 13.750837\nCd I\n2 4\ndirect\n0.666667 0.333333 0.500062 Cd\n0.333333 0.666667 0.000062 Cd\n0.000000 0.000000 0.373856 I\n0.000000 0.000000 0.873857 I\n0.333333 0.666667 0.626082 I\n0.666667 0.333333 0.126081 I\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.56169386367612,
"density_atomic": 0.027437039601934627,
"volume": 218.68248495646486,
"volume_molar": 21.94894510257356,
"formula_full": "Cd2 I4",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-22638",
"created_at": "2022-09-04T14:36:45.029101Z",
"updated_at": "2022-09-04T14:36:45.029135Z",
"structure_string": "Cd2 I4\n1.0\n4.224883 -0.006053 13.315251\n2.056755 3.690451 13.315251\n-0.010319 -0.006053 13.969447\nCd I\n2 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500001 0.500000 Cd\n0.208711 0.208711 0.208711 I\n0.624630 0.624631 0.624629 I\n0.791289 0.791290 0.791288 I\n0.375370 0.375371 0.375370 I\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.562155990301515,
"density_atomic": 0.027439319372600343,
"volume": 218.66431592291343,
"volume_molar": 21.947121494614905,
"formula_full": "Cd2 I4",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.000000000002e-05,
"spacegroup": 166
},
{
"id": "jvasp-118002",
"created_at": "2022-09-04T14:38:30.423404Z",
"updated_at": "2022-09-04T14:38:30.423436Z",
"structure_string": "Cd2 In1\n1.0\n5.246792 0.000000 -1.340586\n0.000000 3.099044 0.000000\n-1.456028 0.000000 5.215923\nCd In\n2 1\ndirect\n-0.199994 0.000000 -0.200042 Cd\n0.133338 0.000000 0.466704 Cd\n0.466656 0.000000 0.133337 In\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cd",
"In"
],
"chemical_system": "Cd-In",
"density": 7.160629936768916,
"density_atomic": 0.03808943713142839,
"volume": 78.76199350619012,
"volume_molar": 15.810527047749428,
"formula_full": "Cd2 In1",
"formula_reduced": "Cd2In",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1669645833333333,
"spacegroup": 191
}
]
}