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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=1095",
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"results": [
{
"id": "jvasp-94727",
"created_at": "2022-09-04T14:36:19.552153Z",
"updated_at": "2022-09-04T14:36:19.552176Z",
"structure_string": "Ca1 Mg6 C1\n1.0\n10.003841 2.496855 0.000000\n-2.839580 4.918297 0.000000\n0.000000 0.000000 3.476441\nCa Mg C\n1 6 1\ndirect\n0.076301 0.288150 0.250000 Ca\n0.577785 0.284353 0.250000 Mg\n0.577785 0.793432 0.250000 Mg\n0.334986 0.149304 0.750000 Mg\n0.334986 0.685685 0.750000 Mg\n0.795891 0.147947 0.750000 Mg\n0.906474 0.703238 0.750000 Mg\n0.395793 0.947898 0.250000 C\n",
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{
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"created_at": "2022-09-04T14:35:48.271028Z",
"updated_at": "2022-09-04T14:35:48.271051Z",
"structure_string": "Ba1 Sc2 Cu1\n1.0\n3.371508 -3.855671 0.000000\n3.371508 3.855671 0.000000\n0.000000 0.000000 3.763479\nBa Sc Cu\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.000000 Sc\n0.000000 0.500000 0.500000 Cu\n",
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{
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"structure_string": "Pt2 Pb4\n1.0\n5.611671 -0.026794 -1.476926\n-3.340150 4.509430 -1.476926\n0.013577 0.026794 5.802755\nPt Pb\n2 4\ndirect\n0.250000 0.250000 -0.000000 Pt\n0.750000 0.750001 -0.000001 Pt\n0.660558 0.160557 0.821115 Pb\n0.160558 0.339442 0.500000 Pb\n0.839443 0.660558 0.500000 Pb\n0.339443 0.839443 0.178884 Pb\n",
"nsites": 6,
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"elements": [
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"volume": 146.76714067649579,
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"formula_full": "Pt2 Pb4",
"formula_reduced": "PtPb2",
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"spacegroup": 140
},
{
"id": "jvasp-91524",
"created_at": "2022-09-04T14:37:41.199800Z",
"updated_at": "2022-09-04T14:37:41.199811Z",
"structure_string": "Ho2 Ag2 Se4\n1.0\n5.645398 0.000000 0.000000\n0.000000 5.645398 0.000000\n-2.822699 -2.822699 6.139808\nHo Ag Se\n2 2 4\ndirect\n0.252205 0.752205 0.504410 Ho\n0.002205 0.002205 0.004410 Ho\n0.786528 0.286528 0.573055 Ag\n0.536528 0.536528 0.073055 Ag\n0.483172 0.983172 0.966343 Se\n0.233172 0.233172 0.466343 Se\n0.018095 0.518095 0.036191 Se\n0.768095 0.768095 0.536191 Se\n",
"nsites": 8,
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"elements": [
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"Ag",
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"density": 7.310190903011303,
"density_atomic": 0.040883311556344476,
"volume": 195.67886493183354,
"volume_molar": 14.730070854706618,
"formula_full": "Ho2 Ag2 Se4",
"formula_reduced": "HoAgSe2",
"formula_anonymous": "ABC2",
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"spacegroup": 109
},
{
"id": "jvasp-105729",
"created_at": "2022-09-04T14:36:18.165605Z",
"updated_at": "2022-09-04T14:36:18.165631Z",
"structure_string": "Ca2 Cd6\n1.0\n6.682755 -0.000000 -0.000000\n-3.341376 5.787436 0.000000\n0.000000 -0.000000 5.059167\nCa Cd\n2 6\ndirect\n0.333333 0.666667 0.750001 Ca\n0.666666 0.333333 0.250000 Ca\n0.160354 0.320709 0.250000 Cd\n0.679290 0.839646 0.250000 Cd\n0.160354 0.839646 0.250000 Cd\n0.839645 0.679291 0.750001 Cd\n0.320709 0.160355 0.750001 Cd\n0.839645 0.160355 0.750001 Cd\n",
"nsites": 8,
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"elements": [
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"density": 6.404095555475433,
"density_atomic": 0.04088549222142068,
"volume": 195.66842822082128,
"volume_molar": 14.729285212921777,
"formula_full": "Ca2 Cd6",
"formula_reduced": "CaCd3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-105737",
"created_at": "2022-09-04T14:36:15.249764Z",
"updated_at": "2022-09-04T14:36:15.249784Z",
"structure_string": "Dy1 Lu1 Hg2\n1.0\n4.479125 -0.000000 2.586024\n1.493042 4.222959 2.586024\n-0.000000 -0.000000 5.172048\nDy Lu Hg\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Dy\n0.000000 0.000000 0.000000 Lu\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.749999 Hg\n",
"nsites": 4,
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"elements": [
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"Lu",
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],
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-2409",
"created_at": "2022-09-04T14:36:58.097838Z",
"updated_at": "2022-09-04T14:36:58.097866Z",
"structure_string": "Rb2 Hg1 O2\n1.0\n3.975126 -0.000000 -1.109566\n-0.309710 3.963042 -1.109566\n0.020729 0.022412 7.749681\nRb Hg O\n2 1 2\ndirect\n0.666995 0.666994 0.333987 Rb\n0.333006 0.333005 0.666012 Rb\n0.000000 0.000000 0.000000 Hg\n0.860782 0.860781 0.721563 O\n0.139219 0.139218 0.278436 O\n",
"nsites": 5,
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"O"
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"density": 5.479649403048094,
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"volume": 122.28301141923329,
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"formula_full": "Rb2 Hg1 O2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-10668",
"created_at": "2022-09-04T14:37:15.828052Z",
"updated_at": "2022-09-04T14:37:15.828070Z",
"structure_string": "Pr2 Cd6 P6\n1.0\n2.159944 -3.741133 -0.000000\n2.159944 3.741133 0.000000\n-0.000000 0.000000 21.185603\nPr Cd P\n2 6 6\ndirect\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.333332 0.666666 0.250000 Cd\n0.666666 0.333332 0.750000 Cd\n0.666666 0.333332 0.373694 Cd\n0.333332 0.666666 0.873694 Cd\n0.333332 0.666666 0.626305 Cd\n0.666666 0.333332 0.126306 Cd\n0.666666 0.333332 0.250000 P\n0.333332 0.666666 0.750000 P\n0.666666 0.333332 0.922096 P\n0.333332 0.666666 0.422096 P\n0.333332 0.666666 0.077904 P\n0.666666 0.333332 0.577904 P\n",
"nsites": 14,
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"elements": [
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"Cd",
"P"
],
"chemical_system": "Cd-P-Pr",
"density": 5.5391846360819335,
"density_atomic": 0.040889478422441644,
"volume": 342.38636784166675,
"volume_molar": 14.727849296054677,
"formula_full": "Pr2 Cd6 P6",
"formula_reduced": "Pr(CdP)3",
"formula_anonymous": "AB3C3",
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"spacegroup": 194
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{
"id": "jvasp-57806",
"created_at": "2022-09-04T14:37:57.149436Z",
"updated_at": "2022-09-04T14:37:57.149459Z",
"structure_string": "Ag3 S1 I1\n1.0\n4.963467 0.000000 0.000000\n-0.000000 4.963467 0.000000\n0.000000 0.000000 4.963467\nAg S I\n3 1 1\ndirect\n0.500000 0.500000 0.000000 Ag\n0.500000 0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.500000 0.500000 0.500000 S\n0.000000 0.000000 0.000000 I\n",
"nsites": 5,
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"S",
"I"
],
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"density": 6.553263992839044,
"density_atomic": 0.04088976249382246,
"volume": 122.27999614219794,
"volume_molar": 14.72774697801146,
"formula_full": "Ag3 S1 I1",
"formula_reduced": "Ag3SI",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-79195",
"created_at": "2022-09-04T14:37:11.018863Z",
"updated_at": "2022-09-04T14:37:11.018886Z",
"structure_string": "Mg3 Bi1\n1.0\n4.607652 0.000000 0.000000\n0.000000 4.607652 0.000000\n0.000000 -0.000000 4.607652\nMg Bi\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
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"volume": 97.82255744088354,
"volume_molar": 14.727530260304652,
"formula_full": "Mg3 Bi1",
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},
{
"id": "jvasp-14171",
"created_at": "2022-09-04T14:37:07.341897Z",
"updated_at": "2022-09-04T14:37:07.341920Z",
"structure_string": "Tl2 Fe2 Se4\n1.0\n5.280899 -0.000000 0.000000\n-2.640449 5.282404 -2.783607\n0.000000 0.004898 7.010182\nTl Fe Se\n2 2 4\ndirect\n0.822301 0.644602 0.375931 Tl\n0.177699 0.355398 0.624069 Tl\n0.248986 0.000000 0.000000 Fe\n0.751015 0.000000 0.000000 Fe\n0.535734 0.071468 0.285056 Se\n0.464266 0.928531 0.714943 Se\n0.169831 0.339662 0.076607 Se\n0.830168 0.660338 0.923392 Se\n",
"nsites": 8,
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"volume": 195.62692981410453,
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"formula_full": "Tl2 Fe2 Se4",
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"spacegroup": 12
},
{
"id": "jvasp-35260",
"created_at": "2022-09-04T14:37:56.260552Z",
"updated_at": "2022-09-04T14:37:56.260578Z",
"structure_string": "Na12 Zn2 Se8\n1.0\n4.659978 -8.071319 -0.000000\n4.659978 8.071319 0.000000\n0.000000 -0.000000 7.151166\nNa Zn Se\n12 2 8\ndirect\n0.296769 0.148385 0.039452 Na\n0.528546 0.057092 0.365772 Na\n0.942908 0.471454 0.365772 Na\n0.471454 0.942908 0.865772 Na\n0.471454 0.528546 0.865772 Na\n0.057092 0.528546 0.865772 Na\n0.528546 0.471454 0.365772 Na\n0.148385 0.851616 0.539453 Na\n0.703231 0.851616 0.539453 Na\n0.851616 0.703231 0.039452 Na\n0.851616 0.148385 0.039452 Na\n0.148385 0.296769 0.539453 Na\n0.666667 0.333333 0.747821 Zn\n0.333333 0.666667 0.247821 Zn\n0.186215 0.813785 0.139049 Se\n0.666667 0.333333 0.098849 Se\n0.333333 0.666667 0.598849 Se\n0.372430 0.186215 0.639049 Se\n0.813785 0.186215 0.639049 Se\n0.813785 0.627570 0.639049 Se\n0.627570 0.813785 0.139049 Se\n0.186215 0.372430 0.139049 Se\n",
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}