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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=3419",
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{
"id": "jvasp-116518",
"created_at": "2022-09-04T14:38:41.964305Z",
"updated_at": "2022-09-04T14:38:41.964333Z",
"structure_string": "Li4 Cu8 S6\n1.0\n7.644400 0.099822 2.393336\n6.655590 3.761642 2.393336\n0.088518 0.023903 9.868468\nLi Cu S\n4 8 6\ndirect\n0.825379 0.825377 0.915555 Li\n0.276312 0.276311 0.358486 Li\n0.723690 0.723687 0.641515 Li\n0.174622 0.174622 0.084446 Li\n0.541696 0.541695 0.093368 Cu\n0.545494 0.545492 0.362937 Cu\n0.088356 0.088355 0.531195 Cu\n0.090491 0.090489 0.879433 Cu\n0.911646 0.911643 0.468806 Cu\n0.454508 0.454506 0.637064 Cu\n0.458306 0.458304 0.906633 Cu\n0.909511 0.909509 0.120568 Cu\n0.669738 0.669737 0.432108 S\n0.011271 0.011271 0.242338 S\n0.330263 0.330262 0.567893 S\n0.326968 0.326967 0.095579 S\n0.673034 0.673031 0.904422 S\n-0.011271 -0.011272 0.757662 S\n",
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{
"id": "jvasp-2757",
"created_at": "2022-09-04T14:36:36.645471Z",
"updated_at": "2022-09-04T14:36:36.645497Z",
"structure_string": "Ba1 Mg2 P2\n1.0\n2.188279 -3.790210 0.000000\n2.188279 3.790210 0.000000\n0.000000 0.000000 7.607476\nBa Mg P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.376574 Mg\n0.333333 0.666667 0.623427 Mg\n0.666667 0.333333 0.723233 P\n0.333333 0.666667 0.276768 P\n",
"nsites": 5,
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"volume": 126.19337405902331,
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"formula_full": "Ba1 Mg2 P2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 164
},
{
"id": "jvasp-35287",
"created_at": "2022-09-04T14:37:34.226716Z",
"updated_at": "2022-09-04T14:37:34.226743Z",
"structure_string": "Yb1 Ni4 Au1\n1.0\n-3.444155 -3.444155 0.000000\n-3.444155 0.000000 -3.444155\n-0.000000 -3.444155 -3.444155\nYb Ni Au\n1 4 1\ndirect\n0.749999 0.749999 0.749999 Yb\n0.374949 0.374949 0.374949 Ni\n0.875149 0.374949 0.374949 Ni\n0.374949 0.875149 0.374949 Ni\n0.374949 0.374949 0.875149 Ni\n0.000000 0.000000 0.000000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Ni",
"Au"
],
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"density": 12.290472502139012,
"density_atomic": 0.0734299428793293,
"volume": 81.71053612094003,
"volume_molar": 8.201205834922753,
"formula_full": "Yb1 Ni4 Au1",
"formula_reduced": "YbNi4Au",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6401346450000001,
"spacegroup": 216
},
{
"id": "jvasp-78941",
"created_at": "2022-09-04T14:37:01.982481Z",
"updated_at": "2022-09-04T14:37:01.982500Z",
"structure_string": "Tl1 Sb1 Te2\n1.0\n10.314787 4.793402 32.035701\n1.284679 2.202096 9.058772\n-6.154285 -4.318336 -15.409345\nTl Sb Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n-0.000001 0.500000 -0.000001 Sb\n0.519771 0.200175 -0.000000 Te\n0.480230 -0.200178 0.000000 Te\n",
"nsites": 4,
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"elements": [
"Tl",
"Sb",
"Te"
],
"chemical_system": "Sb-Te-Tl",
"density": 7.0164036439168855,
"density_atomic": 0.029073196775293634,
"volume": 137.58376937066635,
"volume_molar": 20.713720636038232,
"formula_full": "Tl1 Sb1 Te2",
"formula_reduced": "TlSbTe2",
"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-8726",
"created_at": "2022-09-04T14:36:36.865932Z",
"updated_at": "2022-09-04T14:36:36.865958Z",
"structure_string": "Li5 Sn2\n1.0\n4.435401 0.006473 5.554294\n1.950134 3.983693 5.554294\n0.010358 0.006473 7.107944\nLi Sn\n5 2\ndirect\n0.500000 0.499999 0.500000 Li\n0.355297 0.355296 0.355297 Li\n0.644703 0.644702 0.644703 Li\n0.214563 0.214563 0.214563 Li\n0.785437 0.785435 0.785437 Li\n0.074184 0.074184 0.074184 Sn\n0.925816 0.925814 0.925815 Sn\n",
"nsites": 7,
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"elements": [
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"Sn"
],
"chemical_system": "Li-Sn",
"density": 3.6096705546305543,
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"volume": 125.18433099631547,
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"formula_full": "Li5 Sn2",
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"formula_anonymous": "A2B5",
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"spacegroup": 166
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{
"id": "jvasp-1969",
"created_at": "2022-09-04T14:36:15.714259Z",
"updated_at": "2022-09-04T14:36:15.714271Z",
"structure_string": "Ca2 Br1 N1\n1.0\n3.580072 0.004804 6.216885\n1.665777 3.168931 6.216885\n0.007941 0.004804 7.174017\nCa Br N\n2 1 1\ndirect\n0.225956 0.225955 0.225957 Ca\n0.774045 0.774042 0.774047 Ca\n0.000000 0.000000 0.000000 Br\n0.500001 0.499998 0.500002 N\n",
"nsites": 4,
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"elements": [
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"Br",
"N"
],
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"density": 3.5632409617768133,
"density_atomic": 0.04931061171616006,
"volume": 81.1184420713467,
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"formula_full": "Ca2 Br1 N1",
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"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-100545",
"created_at": "2022-09-04T14:36:46.206558Z",
"updated_at": "2022-09-04T14:36:46.206577Z",
"structure_string": "Sn1 Te1 Pb1 Se1\n1.0\n4.479903 0.000000 -0.000000\n0.000000 4.479903 0.000000\n0.000000 -0.000000 6.305529\nSn Te Pb Se\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Sn\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.000000 Pb\n0.000000 0.000000 0.500000 Se\n",
"nsites": 4,
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"elements": [
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"Te",
"Pb",
"Se"
],
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"density": 6.986915531800567,
"density_atomic": 0.03160830756682923,
"volume": 126.54900903956425,
"volume_molar": 19.05239863686921,
"formula_full": "Sn1 Te1 Pb1 Se1",
"formula_reduced": "SnTePbSe",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.6397134133333333,
"spacegroup": 123
},
{
"id": "jvasp-2850",
"created_at": "2022-09-04T14:37:16.712071Z",
"updated_at": "2022-09-04T14:37:16.712098Z",
"structure_string": "Na3 Sb1 Se4\n1.0\n6.103730 -0.000000 -2.157994\n-3.051864 5.285985 -2.157994\n0.000000 0.000000 6.473982\nNa Sb Se\n3 1 4\ndirect\n0.000001 0.500000 0.500001 Na\n0.500000 0.000000 0.500000 Na\n0.500001 0.500000 0.000001 Na\n0.000000 0.000000 0.000000 Sb\n0.390253 0.390253 0.390253 Se\n0.000001 0.609748 0.000001 Se\n0.609748 0.000000 0.000000 Se\n-0.000000 -0.000000 0.609748 Se\n",
"nsites": 8,
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"elements": [
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],
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"density": 4.027126226165868,
"density_atomic": 0.038299866376111956,
"volume": 208.8780133444457,
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"formula_full": "Na3 Sb1 Se4",
"formula_reduced": "Na3SbSe4",
"formula_anonymous": "AB3C4",
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"spacegroup": 217
},
{
"id": "jvasp-12963",
"created_at": "2022-09-04T14:36:53.202813Z",
"updated_at": "2022-09-04T14:36:53.202833Z",
"structure_string": "Hg4 As6 Br2\n1.0\n6.233987 0.043849 -0.651640\n-0.900097 6.168821 -0.651640\n0.024339 0.028349 8.287390\nHg As Br\n4 6 2\ndirect\n0.843601 0.590747 0.647369 Hg\n0.409253 0.156399 0.852631 Hg\n0.590747 0.843601 0.147369 Hg\n0.156399 0.409253 0.352631 Hg\n0.938552 0.806712 0.010925 As\n0.193288 0.061448 0.489075 As\n0.061448 0.193288 0.989075 As\n0.791617 0.208383 0.750000 As\n0.208383 0.791617 0.250000 As\n0.806712 0.938552 0.510924 As\n0.362989 0.637011 0.750000 Br\n0.637011 0.362989 0.250000 Br\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "As-Br-Hg",
"density": 7.342566792445346,
"density_atomic": 0.0375870618005627,
"volume": 319.2587934559001,
"volume_molar": 16.02184494215998,
"formula_full": "Hg4 As6 Br2",
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"formula_anonymous": "AB2C3",
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"spacegroup": 15
},
{
"id": "jvasp-8063",
"created_at": "2022-09-04T14:36:38.842343Z",
"updated_at": "2022-09-04T14:36:38.842362Z",
"structure_string": "Tl1 Sb1 Te2\n1.0\n4.321706 -0.001916 7.074863\n1.988457 3.837080 7.074863\n-0.003152 -0.001916 8.290405\nTl Sb Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500002 0.499999 0.499999 Sb\n0.240215 0.240213 0.240213 Te\n0.759788 0.759784 0.759784 Te\n",
"nsites": 4,
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"density": 7.014231052650638,
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"volume": 137.62638463290511,
"volume_molar": 20.720136513731386,
"formula_full": "Tl1 Sb1 Te2",
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"spacegroup": 166
},
{
"id": "jvasp-10724",
"created_at": "2022-09-04T14:38:17.026068Z",
"updated_at": "2022-09-04T14:38:17.026092Z",
"structure_string": "K2 Nd2 Te8\n1.0\n6.948469 0.000000 0.000000\n0.000000 6.948469 0.000000\n0.000000 0.000000 8.731723\nK Nd Te\n2 2 8\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.500000 Nd\n0.355531 0.855531 0.280350 Te\n0.144469 0.355531 0.280350 Te\n0.855531 0.644469 0.280350 Te\n0.355531 0.144469 0.719650 Te\n0.644469 0.855531 0.719650 Te\n0.644469 0.144469 0.280350 Te\n0.855531 0.355531 0.719650 Te\n0.144469 0.644469 0.719650 Te\n",
"nsites": 12,
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"elements": [
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],
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"density": 5.465096292049932,
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"volume": 421.5782517503275,
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"formula_full": "K2 Nd2 Te8",
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{
"id": "jvasp-122560",
"created_at": "2022-09-04T14:38:51.301503Z",
"updated_at": "2022-09-04T14:38:51.301530Z",
"structure_string": "Er1 Sn7\n1.0\n6.744492 0.000000 -0.000000\n-0.000000 6.744492 0.000000\n-0.000000 0.000000 6.744492\nEr Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Er\n0.256348 0.256348 0.756348 Sn\n0.000000 0.500000 0.000000 Sn\n0.256348 0.743652 0.243652 Sn\n0.500000 0.000000 0.000000 Sn\n0.743652 0.256348 0.243652 Sn\n0.500000 0.500000 0.500000 Sn\n0.743652 0.743652 0.756348 Sn\n",
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"formula_full": "Er1 Sn7",
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}