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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=500",
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"results": [
{
"id": "jvasp-117856",
"created_at": "2022-09-04T14:38:48.437440Z",
"updated_at": "2022-09-04T14:38:48.437467Z",
"structure_string": "Pb1 Se1 Br2\n1.0\n4.630063 0.000000 -0.000000\n0.000000 4.630063 0.000000\n0.000000 -0.000000 5.748728\nPb Se Br\n1 1 2\ndirect\n0.500000 0.500000 0.752351 Pb\n0.000000 0.000000 0.752650 Se\n0.000000 0.000000 0.252753 Br\n0.500000 0.500000 0.252246 Br\n",
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"elements": [
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"volume": 123.23826097895733,
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"formula_full": "Pb1 Se1 Br2",
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{
"id": "jvasp-37778",
"created_at": "2022-09-04T14:38:33.053935Z",
"updated_at": "2022-09-04T14:38:33.053959Z",
"structure_string": "Tl6 Pb2\n1.0\n3.546360 -6.142475 0.000000\n3.546360 6.142475 -0.000000\n-0.000000 0.000000 5.657000\nTl Pb\n6 2\ndirect\n0.831865 0.168135 0.750000 Tl\n0.336271 0.168135 0.750000 Tl\n0.831865 0.663729 0.750000 Tl\n0.168135 0.831865 0.250000 Tl\n0.663729 0.831865 0.250000 Tl\n0.168135 0.336271 0.250000 Tl\n0.666667 0.333333 0.250000 Pb\n0.333333 0.666667 0.750000 Pb\n",
"nsites": 8,
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"elements": [
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"volume": 246.457700330274,
"volume_molar": 18.552537034685106,
"formula_full": "Tl6 Pb2",
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{
"id": "jvasp-68990",
"created_at": "2022-09-04T14:36:21.899467Z",
"updated_at": "2022-09-04T14:36:21.899496Z",
"structure_string": "Ba1 Y1 Ge2\n1.0\n4.434306 -0.000000 0.000000\n0.000000 4.434306 0.000000\n-0.000000 0.000000 6.266833\nBa Y Ge\n1 1 2\ndirect\n0.500000 0.500000 0.874985 Ba\n0.000000 0.000000 0.375026 Y\n0.000000 0.000000 0.875010 Ge\n0.500000 0.500000 0.374978 Ge\n",
"nsites": 4,
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"elements": [
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"Y",
"Ge"
],
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"density": 5.0063763815889155,
"density_atomic": 0.032460899565532456,
"volume": 123.22517408751264,
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"formula_full": "Ba1 Y1 Ge2",
"formula_reduced": "BaYGe2",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-85850",
"created_at": "2022-09-04T14:35:54.362989Z",
"updated_at": "2022-09-04T14:35:54.363022Z",
"structure_string": "Pu1 Te1\n1.0\n3.839337 -0.000000 2.216643\n1.279779 3.619762 2.216643\n-0.000000 -0.000000 4.433284\nPu Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500001 0.500000 0.499999 Te\n",
"nsites": 2,
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"elements": [
"Pu",
"Te"
],
"chemical_system": "Pu-Te",
"density": 10.01527776435664,
"density_atomic": 0.03246147065032121,
"volume": 61.61150311223529,
"volume_molar": 18.551657208852948,
"formula_full": "Pu1 Te1",
"formula_reduced": "PuTe",
"formula_anonymous": "AB",
"energy_above_hull": 2.409588883333333,
"spacegroup": 225
},
{
"id": "jvasp-100755",
"created_at": "2022-09-04T14:36:39.603048Z",
"updated_at": "2022-09-04T14:36:39.603067Z",
"structure_string": "Sb2 Pb6\n1.0\n6.969925 -0.000000 0.000000\n-3.484962 6.036132 0.000000\n-0.000000 -0.000000 5.857512\nSb Pb\n2 6\ndirect\n0.333333 0.666666 0.750000 Sb\n0.666666 0.333333 0.250000 Sb\n0.168595 0.337190 0.250000 Pb\n0.662809 0.831405 0.250000 Pb\n0.168595 0.831405 0.250000 Pb\n0.831405 0.662809 0.750000 Pb\n0.337190 0.168595 0.750000 Pb\n0.831405 0.168595 0.750000 Pb\n",
"nsites": 8,
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"elements": [
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"Pb"
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"density_atomic": 0.03246309828462405,
"volume": 246.4336561427087,
"volume_molar": 18.55072706616038,
"formula_full": "Sb2 Pb6",
"formula_reduced": "SbPb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.59933714,
"spacegroup": 194
},
{
"id": "jvasp-16704",
"created_at": "2022-09-04T14:37:49.982369Z",
"updated_at": "2022-09-04T14:37:49.982396Z",
"structure_string": "Nd4 Sb2\n1.0\n4.422867 0.000000 -1.099701\n-0.273430 4.414407 -1.099701\n0.004600 0.004894 9.462474\nNd Sb\n4 2\ndirect\n0.179388 0.179388 0.358775 Nd\n0.820613 0.820612 0.641224 Nd\n0.000000 0.500000 0.000000 Nd\n0.500000 -0.000000 0.000000 Nd\n0.638721 0.638721 0.277441 Sb\n0.361279 0.361279 0.722558 Sb\n",
"nsites": 6,
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"elements": [
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],
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"density": 7.372732647402132,
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"volume": 184.79611873035657,
"volume_molar": 18.547803981597998,
"formula_full": "Nd4 Sb2",
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"formula_anonymous": "AB2",
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"spacegroup": 139
},
{
"id": "jvasp-15763",
"created_at": "2022-09-04T14:36:31.113235Z",
"updated_at": "2022-09-04T14:36:31.113263Z",
"structure_string": "Tb1\n1.0\n3.047053 0.000000 1.759217\n1.015684 2.872789 1.759217\n0.000000 -0.000000 3.518434\nTb\n1\ndirect\n0.000000 0.000000 0.000000 Tb\n",
"nsites": 1,
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"elements": [
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"density": 8.568585363205349,
"density_atomic": 0.03246884602684884,
"volume": 30.79875395550212,
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"formula_anonymous": "A",
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"spacegroup": 225
},
{
"id": "jvasp-25323",
"created_at": "2022-09-04T14:37:52.373652Z",
"updated_at": "2022-09-04T14:37:52.373681Z",
"structure_string": "Tb1\n1.0\n3.047049 0.000000 1.759215\n1.015683 2.872785 1.759215\n0.000000 -0.000000 3.518429\nTb\n1\ndirect\n0.000000 0.000000 0.000000 Tb\n",
"nsites": 1,
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"elements": [
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"chemical_system": "Tb",
"density": 8.568620719048694,
"density_atomic": 0.03246898000035613,
"volume": 30.798626873681634,
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"formula_full": "Tb1",
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"formula_anonymous": "A",
"energy_above_hull": 0.01113,
"spacegroup": 225
},
{
"id": "jvasp-35088",
"created_at": "2022-09-04T14:37:30.864377Z",
"updated_at": "2022-09-04T14:37:30.864407Z",
"structure_string": "Sr2 Hg2 Pb2\n1.0\n5.089052 0.000000 0.000000\n-2.544527 4.407790 0.000000\n0.000000 0.000000 8.237970\nSr Hg Pb\n2 2 2\ndirect\n0.999954 0.999909 0.665730 Sr\n0.000045 0.000091 0.165730 Sr\n0.666640 0.333281 0.474783 Hg\n0.333359 0.666719 0.974783 Hg\n0.666676 0.333354 0.879487 Pb\n0.333322 0.666646 0.379487 Pb\n",
"nsites": 6,
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"elements": [
"Sr",
"Hg",
"Pb"
],
"chemical_system": "Hg-Pb-Sr",
"density": 8.903604739142311,
"density_atomic": 0.03246932502112245,
"volume": 184.7897976350536,
"volume_molar": 18.547169539503464,
"formula_full": "Sr2 Hg2 Pb2",
"formula_reduced": "SrHgPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0663567577777778,
"spacegroup": 186
},
{
"id": "jvasp-81120",
"created_at": "2022-09-04T14:37:18.417850Z",
"updated_at": "2022-09-04T14:37:18.417868Z",
"structure_string": "Ca1 Tl1 Hg2\n1.0\n-10.722550 -0.000000 -6.190667\n-6.893814 -1.209633 -0.440899\n-5.301894 3.292994 -3.198184\nCa Tl Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 -0.000000 -0.000000 Tl\n0.746880 -0.000001 -0.000000 Hg\n0.253121 -0.000000 -0.000000 Hg\n",
"nsites": 4,
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"Hg"
],
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"density": 8.702946939831119,
"density_atomic": 0.032470271970883,
"volume": 123.18960566720574,
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"formula_full": "Ca1 Tl1 Hg2",
"formula_reduced": "CaTlHg2",
"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-99667",
"created_at": "2022-09-04T14:36:33.972953Z",
"updated_at": "2022-09-04T14:36:33.972980Z",
"structure_string": "Er2 Cl6\n1.0\n8.948118 0.000000 0.000000\n-4.474059 7.749297 0.000000\n-0.000000 -0.000000 3.552858\nEr Cl\n2 6\ndirect\n0.333333 0.666667 0.750000 Er\n0.666667 0.333333 0.250000 Er\n0.207636 0.415273 0.250000 Cl\n0.584728 0.792364 0.250000 Cl\n0.207636 0.792364 0.250000 Cl\n0.792364 0.584728 0.750000 Cl\n0.415273 0.207636 0.750000 Cl\n0.792364 0.207636 0.750000 Cl\n",
"nsites": 8,
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"elements": [
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"Cl"
],
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"density": 3.688517927666965,
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"formula_full": "Er2 Cl6",
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"formula_anonymous": "AB3",
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},
{
"id": "jvasp-78758",
"created_at": "2022-09-04T14:36:34.480367Z",
"updated_at": "2022-09-04T14:36:34.480394Z",
"structure_string": "Na1 Tm1\n1.0\n3.390126 0.000035 0.000004\n-1.695033 2.935951 -0.000004\n0.000007 -0.000004 6.187840\nNa Tm\n1 1\ndirect\n0.666673 0.333331 0.750000 Na\n0.333333 0.666671 0.250001 Tm\n",
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"density": 5.174543354140836,
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"volume": 61.58944733871775,
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}