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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=585",
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{
"id": "jvasp-92307",
"created_at": "2022-09-04T14:35:49.017655Z",
"updated_at": "2022-09-04T14:35:49.017678Z",
"structure_string": "Ga2 Cu4\n1.0\n-4.227599 -0.000000 0.000000\n-2.113800 -2.586982 3.664974\n-2.113800 2.586982 3.664974\nGa Cu\n2 4\ndirect\n0.499964 0.750036 0.250036 Ga\n0.500037 0.249963 0.749963 Ga\n0.166572 0.333432 0.333423 Cu\n0.833429 0.666567 0.666576 Cu\n0.833429 0.166577 0.166567 Cu\n0.166573 0.833422 0.833431 Cu\n",
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{
"id": "jvasp-18692",
"created_at": "2022-09-04T14:36:59.446802Z",
"updated_at": "2022-09-04T14:36:59.446835Z",
"structure_string": "Dy2 Ga2\n1.0\n4.037799 0.000000 -0.000000\n-0.000000 4.021482 -1.573608\n0.000000 -0.041619 5.819055\nDy Ga\n2 2\ndirect\n0.250000 0.860682 0.721366 Dy\n0.750000 0.139318 0.278635 Dy\n0.250000 0.577652 0.155306 Ga\n0.750000 0.422347 0.844695 Ga\n",
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"volume": 94.2249991623394,
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{
"id": "jvasp-115913",
"created_at": "2022-09-04T14:38:40.341802Z",
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"structure_string": "Rb1 Pb1 Cl1\n1.0\n3.703943 -0.000000 0.000000\n0.000000 3.703943 0.000000\n-0.000000 0.000000 9.120147\nRb Pb Cl\n1 1 1\ndirect\n0.000000 0.000000 -0.036911 Rb\n0.000000 0.000000 0.570912 Pb\n0.000000 0.000000 0.283409 Cl\n",
"nsites": 3,
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"elements": [
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"Pb",
"Cl"
],
"chemical_system": "Cl-Pb-Rb",
"density": 4.354641743504919,
"density_atomic": 0.02397677826076949,
"volume": 125.12106369639173,
"volume_molar": 25.1165552540199,
"formula_full": "Rb1 Pb1 Cl1",
"formula_reduced": "RbPbCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.07583,
"spacegroup": 99
},
{
"id": "jvasp-66365",
"created_at": "2022-09-04T14:35:40.868252Z",
"updated_at": "2022-09-04T14:35:40.868277Z",
"structure_string": "Ba1 Na1 Pb1\n1.0\n-0.000000 4.032198 4.032198\n4.032198 -0.000000 4.032198\n4.032198 4.032198 -0.000000\nBa Na Pb\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 3,
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"elements": [
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"Pb"
],
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"density": 4.65447511068907,
"density_atomic": 0.022880510469020985,
"volume": 131.11595582895072,
"volume_molar": 26.319958062796122,
"formula_full": "Ba1 Na1 Pb1",
"formula_reduced": "BaNaPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0758344649999999,
"spacegroup": 216
},
{
"id": "jvasp-109588",
"created_at": "2022-09-04T14:38:27.788890Z",
"updated_at": "2022-09-04T14:38:27.788911Z",
"structure_string": "Pm1 Zn1 Ag2\n1.0\n4.255643 -0.000000 2.456997\n1.418548 4.012259 2.456997\n-0.000000 -0.000000 4.913993\nPm Zn Ag\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pm\n0.000000 0.000000 0.000000 Zn\n0.750000 0.750000 0.750001 Ag\n0.250000 0.250000 0.250000 Ag\n",
"nsites": 4,
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"elements": [
"Pm",
"Zn",
"Ag"
],
"chemical_system": "Ag-Pm-Zn",
"density": 8.433701399065331,
"density_atomic": 0.04767287125054681,
"volume": 83.90516230872332,
"volume_molar": 12.63221744784446,
"formula_full": "Pm1 Zn1 Ag2",
"formula_reduced": "PmZnAg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.075885369375,
"spacegroup": 225
},
{
"id": "jvasp-15879",
"created_at": "2022-09-04T14:37:55.718949Z",
"updated_at": "2022-09-04T14:37:55.718983Z",
"structure_string": "Ca4 As2\n1.0\n4.342184 0.000000 -1.238389\n-0.353188 4.327796 -1.238389\n0.082691 0.089715 8.521668\nCa As\n4 2\ndirect\n0.500000 0.000000 -0.000000 Ca\n-0.000000 0.500001 0.000000 Ca\n0.321056 0.321056 0.642113 Ca\n0.678943 0.678944 0.357887 Ca\n0.134619 0.134619 0.269240 As\n0.865379 0.865380 0.730760 As\n",
"nsites": 6,
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"elements": [
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"As"
],
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"volume": 161.10477011858194,
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"formula_full": "Ca4 As2",
"formula_reduced": "Ca2As",
"formula_anonymous": "AB2",
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"spacegroup": 139
},
{
"id": "jvasp-22601",
"created_at": "2022-09-04T14:36:17.890728Z",
"updated_at": "2022-09-04T14:36:17.890759Z",
"structure_string": "Rb2 Mn1 F6\n1.0\n5.165493 0.000000 2.982299\n1.721831 4.870074 2.982299\n0.000000 0.000000 5.964598\nRb Mn F\n2 1 6\ndirect\n0.750000 0.749999 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Mn\n0.217131 0.782868 0.782870 F\n0.217131 0.782868 0.217132 F\n0.782869 0.217131 0.782870 F\n0.782869 0.217131 0.217132 F\n0.782869 0.782868 0.217132 F\n0.217131 0.217131 0.782869 F\n",
"nsites": 9,
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"elements": [
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"Mn",
"F"
],
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"density": 3.7611948068021057,
"density_atomic": 0.0599810402201202,
"volume": 150.04741443248622,
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"formula_full": "Rb2 Mn1 F6",
"formula_reduced": "Rb2MnF6",
"formula_anonymous": "AB2C6",
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"spacegroup": 225
},
{
"id": "jvasp-117642",
"created_at": "2022-09-04T14:38:51.772074Z",
"updated_at": "2022-09-04T14:38:51.772091Z",
"structure_string": "Na2 Ag1 As1\n1.0\n-0.000000 3.412156 3.412156\n3.412156 0.000000 3.412156\n3.412156 3.412156 -0.000000\nNa Ag As\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.500001 0.500001 0.500001 Na\n0.750001 0.750001 0.750001 Ag\n0.000000 0.000000 0.000000 As\n",
"nsites": 4,
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"elements": [
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],
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"density": 4.781127034732745,
"density_atomic": 0.050343494780880516,
"volume": 79.45415822659818,
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"formula_full": "Na2 Ag1 As1",
"formula_reduced": "Na2AgAs",
"formula_anonymous": "ABC2",
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"spacegroup": 216
},
{
"id": "jvasp-16281",
"created_at": "2022-09-04T14:37:50.856819Z",
"updated_at": "2022-09-04T14:37:50.856846Z",
"structure_string": "Cu1 F1\n1.0\n2.958284 -0.000000 1.707967\n0.986095 2.789097 1.707967\n0.000000 -0.000000 3.415933\nCu F\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.250000 0.250000 0.250000 F\n",
"nsites": 2,
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"elements": [
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"F"
],
"chemical_system": "Cu-F",
"density": 4.8632198423495705,
"density_atomic": 0.07096058197092904,
"volume": 28.184661743886984,
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"formula_full": "Cu1 F1",
"formula_reduced": "CuF",
"formula_anonymous": "AB",
"energy_above_hull": 0.0762999999999999,
"spacegroup": 216
},
{
"id": "jvasp-37196",
"created_at": "2022-09-04T14:38:07.020019Z",
"updated_at": "2022-09-04T14:38:07.020054Z",
"structure_string": "Mg3 In1\n1.0\n-2.247578 2.247578 4.497105\n2.247578 -2.247578 4.497105\n2.247578 2.247578 -4.497105\nMg In\n3 1\ndirect\n0.499998 0.499998 0.000000 Mg\n0.749998 0.250000 0.499999 Mg\n0.250000 0.749998 0.499999 Mg\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.430576859535783,
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"volume": 90.87042598200274,
"volume_molar": 13.680862404619544,
"formula_full": "Mg3 In1",
"formula_reduced": "Mg3In",
"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-85314",
"created_at": "2022-09-04T14:36:20.179975Z",
"updated_at": "2022-09-04T14:36:20.179994Z",
"structure_string": "Eu2 Cu8 Sn4\n1.0\n6.557769 0.006317 -2.181055\n-3.409820 5.601561 -2.181055\n-0.003546 -0.006317 6.910956\nEu Cu Sn\n2 8 4\ndirect\n0.250000 0.250000 0.000000 Eu\n0.750000 0.750000 0.000001 Eu\n0.525091 0.025091 0.222560 Cu\n0.974909 0.197469 0.500001 Cu\n0.474909 0.974909 0.777442 Cu\n0.025090 0.802531 0.500001 Cu\n0.802531 0.302531 0.777441 Cu\n0.697469 0.474909 0.500001 Cu\n0.302531 0.525091 0.500001 Cu\n0.197469 0.697469 0.222560 Cu\n0.161105 0.661105 0.822210 Sn\n0.661105 0.838895 0.500001 Sn\n0.838895 0.338895 0.177792 Sn\n0.338894 0.161105 0.500001 Sn\n",
"nsites": 14,
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"density": 8.420241172190288,
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"volume": 253.83353853168657,
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"formula_full": "Eu2 Cu8 Sn4",
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"formula_anonymous": "AB2C4",
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"spacegroup": 140
},
{
"id": "jvasp-36874",
"created_at": "2022-09-04T14:38:05.162468Z",
"updated_at": "2022-09-04T14:38:05.162482Z",
"structure_string": "Zn12 O12\n1.0\n1.520599 -2.633754 0.000000\n1.520599 2.633754 -0.000000\n-0.000000 0.000000 30.343548\nZn O\n12 12\ndirect\n0.333334 0.666667 0.834772 Zn\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.750000 Zn\n0.000000 0.000000 0.250000 Zn\n0.333334 0.666667 0.082603 Zn\n0.666667 0.333334 0.917397 Zn\n0.000000 0.000000 0.500000 Zn\n0.333334 0.666667 0.417397 Zn\n0.333334 0.666667 0.665228 Zn\n0.666667 0.333334 0.334772 Zn\n0.666667 0.333334 0.165228 Zn\n0.666667 0.333334 0.582603 Zn\n0.000000 0.000000 0.876108 O\n0.000000 0.000000 0.123892 O\n0.333334 0.666667 0.293740 O\n0.666667 0.333334 0.706260 O\n0.666667 0.333334 0.793740 O\n0.333334 0.666667 0.541298 O\n0.666667 0.333334 0.458702 O\n0.666667 0.333334 0.041298 O\n0.333334 0.666667 0.958702 O\n0.000000 0.000000 0.623892 O\n0.333334 0.666667 0.206260 O\n0.000000 0.000000 0.376108 O\n",
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}