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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4087",
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{
"id": "jvasp-99636",
"created_at": "2022-09-04T14:36:30.761027Z",
"updated_at": "2022-09-04T14:36:30.761046Z",
"structure_string": "Ca6 Dy2\n1.0\n7.507118 0.000000 0.000000\n-3.753560 6.501355 0.000000\n-0.000000 -0.000000 6.093734\nCa Dy\n6 2\ndirect\n0.170774 0.341546 0.250000 Ca\n0.658454 0.829226 0.250000 Ca\n0.170773 0.829226 0.250000 Ca\n0.829226 0.658453 0.750000 Ca\n0.341546 0.170774 0.750000 Ca\n0.829226 0.170774 0.750000 Ca\n0.333333 0.666666 0.750000 Dy\n0.666667 0.333333 0.250000 Dy\n",
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{
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"created_at": "2022-09-04T14:38:47.333658Z",
"updated_at": "2022-09-04T14:38:47.333674Z",
"structure_string": "I1 Br1\n1.0\n5.579311 1.017085 -0.658518\n-3.966680 -4.089688 0.442259\n-0.195577 2.128315 -3.692257\nI Br\n1 1\ndirect\n0.064008 0.578831 0.502940 I\n0.059276 0.076422 -0.003790 Br\n",
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"formula_full": "I1 Br1",
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"spacegroup": 12
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{
"id": "jvasp-66357",
"created_at": "2022-09-04T14:36:15.661721Z",
"updated_at": "2022-09-04T14:36:15.661748Z",
"structure_string": "Ba1 Tl1 Bi1\n1.0\n0.000000 4.016566 4.016566\n4.016566 -0.000000 4.016566\n4.016566 4.016566 -0.000000\nBa Tl Bi\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Ba-Bi-Tl",
"density": 7.056057659681382,
"density_atomic": 0.02314869623835775,
"volume": 129.59693146903683,
"volume_molar": 26.01503211235378,
"formula_full": "Ba1 Tl1 Bi1",
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"formula_anonymous": "ABC",
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"spacegroup": 216
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{
"id": "jvasp-80167",
"created_at": "2022-09-04T14:37:15.547905Z",
"updated_at": "2022-09-04T14:37:15.547932Z",
"structure_string": "Li1 Hg2 Rh1\n1.0\n-10.542930 3.766686 0.064012\n-7.427464 1.320873 2.369890\n-6.128091 4.996054 0.119311\nLi Hg Rh\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.739369 0.008980 0.008982 Hg\n0.260631 -0.008981 -0.008981 Hg\n0.500000 -0.000000 0.000001 Rh\n",
"nsites": 4,
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"elements": [
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"Hg",
"Rh"
],
"chemical_system": "Hg-Li-Rh",
"density": 12.132036072114628,
"density_atomic": 0.05718750707207557,
"volume": 69.94534654148588,
"volume_molar": 10.53051805949518,
"formula_full": "Li1 Hg2 Rh1",
"formula_reduced": "LiHg2Rh",
"formula_anonymous": "ABC2",
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"spacegroup": 12
},
{
"id": "jvasp-29642",
"created_at": "2022-09-04T14:37:01.532532Z",
"updated_at": "2022-09-04T14:37:01.532558Z",
"structure_string": "Mg2 Cl4\n1.0\n6.064337 1.783456 3.136456\n3.021527 6.026511 2.187438\n2.667421 0.010145 6.566110\nMg Cl\n2 4\ndirect\n0.500108 0.867833 0.867843 Mg\n0.499893 0.132166 0.132158 Mg\n0.976998 0.762393 0.760642 Cl\n0.023002 0.237607 0.239359 Cl\n0.500000 -0.000000 0.500000 Cl\n0.500000 0.500000 0.000000 Cl\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Cl-Mg",
"density": 1.921793090205747,
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"volume": 164.53549123035538,
"volume_molar": 16.514264803415763,
"formula_full": "Mg2 Cl4",
"formula_reduced": "MgCl2",
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"spacegroup": 12
},
{
"id": "jvasp-2091",
"created_at": "2022-09-04T14:36:51.747970Z",
"updated_at": "2022-09-04T14:36:51.748003Z",
"structure_string": "Pb1 F4\n1.0\n3.926935 -0.000000 -1.845634\n-0.867436 3.829931 -1.845634\n-0.057769 -0.072317 4.977549\nPb F\n1 4\ndirect\n0.000000 0.000000 0.000000 Pb\n0.744384 0.744386 0.488773 F\n-0.000000 0.500000 0.000000 F\n0.499999 0.000000 0.000000 F\n0.255613 0.255613 0.511228 F\n",
"nsites": 5,
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"density": 6.370837963808135,
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"volume": 73.81353287235417,
"volume_molar": 8.89030969900408,
"formula_full": "Pb1 F4",
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"spacegroup": 139
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{
"id": "jvasp-51524",
"created_at": "2022-09-04T14:37:31.786547Z",
"updated_at": "2022-09-04T14:37:31.786563Z",
"structure_string": "Al4 In4 Cl16\n1.0\n7.024115 0.000000 0.000000\n0.000000 9.319269 0.000000\n0.000000 0.000000 10.563486\nAl In Cl\n4 4 16\ndirect\n0.749999 0.812292 0.564978 Al\n0.250000 0.312292 0.935022 Al\n0.250000 0.187708 0.435022 Al\n0.749999 0.687708 0.064978 Al\n0.749999 0.283049 0.694890 In\n0.749999 0.216951 0.194890 In\n0.250000 0.716951 0.305111 In\n0.250000 0.783049 0.805111 In\n-0.001989 0.674884 0.566370 Cl\n0.250000 0.055678 0.602143 Cl\n0.749999 0.555678 0.897857 Cl\n0.250000 0.444322 0.102143 Cl\n0.001989 0.174884 0.933630 Cl\n0.749999 0.944322 0.397857 Cl\n0.498011 0.325116 0.433630 Cl\n0.749999 0.936781 0.737236 Cl\n0.749999 0.563219 0.237236 Cl\n0.501989 0.825116 0.066370 Cl\n0.501989 0.674884 0.566370 Cl\n0.498011 0.174884 0.933630 Cl\n0.250000 0.063219 0.262764 Cl\n0.001989 0.325116 0.433630 Cl\n-0.001989 0.825116 0.066370 Cl\n0.250000 0.436781 0.762765 Cl\n",
"nsites": 24,
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"elements": [
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"In",
"Cl"
],
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"density": 2.724283264932208,
"density_atomic": 0.03470807438552578,
"volume": 691.4817495610951,
"volume_molar": 17.350835120116596,
"formula_full": "Al4 In4 Cl16",
"formula_reduced": "AlInCl4",
"formula_anonymous": "ABC4",
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"spacegroup": 62
},
{
"id": "jvasp-51428",
"created_at": "2022-09-04T14:37:12.919365Z",
"updated_at": "2022-09-04T14:37:12.919378Z",
"structure_string": "Ca2 P1 I1\n1.0\n-4.227496 -0.049403 0.684222\n2.095672 3.730401 -0.185813\n0.934334 -0.909121 -7.669235\nCa P I\n2 1 1\ndirect\n0.460836 0.855505 0.691496 Ca\n0.539116 0.394483 0.308497 Ca\n-0.000017 0.124997 0.499996 P\n0.000070 0.625017 0.000012 I\n",
"nsites": 4,
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"elements": [
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"P",
"I"
],
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"density": 3.3729699652570146,
"density_atomic": 0.034133745800141245,
"volume": 117.18608392470797,
"volume_molar": 17.64277731269412,
"formula_full": "Ca2 P1 I1",
"formula_reduced": "Ca2PI",
"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-64859",
"created_at": "2022-09-04T14:35:43.272833Z",
"updated_at": "2022-09-04T14:35:43.272861Z",
"structure_string": "Ba4 Pb1 Br1\n1.0\n-0.000000 5.046313 5.046313\n5.046313 -0.000000 5.046313\n5.046313 5.046313 -0.000000\nBa Pb Br\n4 1 1\ndirect\n0.122584 0.625805 0.625805 Ba\n0.625805 0.625805 0.625805 Ba\n0.625805 0.122584 0.625805 Ba\n0.625805 0.625805 0.122584 Ba\n0.000000 0.000000 0.000000 Pb\n0.250000 0.250000 0.250000 Br\n",
"nsites": 6,
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"Pb",
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],
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"density": 5.404018209824277,
"density_atomic": 0.023345259279215103,
"volume": 257.0114954920187,
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"formula_full": "Ba4 Pb1 Br1",
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"spacegroup": 216
},
{
"id": "jvasp-99858",
"created_at": "2022-09-04T14:36:31.324868Z",
"updated_at": "2022-09-04T14:36:31.324896Z",
"structure_string": "Yb1 Ag1 Au2\n1.0\n4.182962 0.000000 2.415034\n1.394320 3.943734 2.415034\n0.000000 0.000000 4.830068\nYb Ag Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.499999 0.500000 Ag\n0.250000 0.250000 0.250000 Au\n0.750000 0.749999 0.750000 Au\n",
"nsites": 4,
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"density": 14.0639073401509,
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},
{
"id": "jvasp-1975",
"created_at": "2022-09-04T14:35:52.066994Z",
"updated_at": "2022-09-04T14:35:52.067022Z",
"structure_string": "Ca2 P1 I1\n1.0\n4.120222 0.002008 6.598416\n1.892439 3.659906 6.598416\n0.003297 0.002008 7.779160\nCa P I\n2 1 1\ndirect\n0.769493 0.769496 0.769493 Ca\n0.230506 0.230507 0.230506 Ca\n0.500000 0.500001 0.500000 P\n0.000000 0.000000 0.000000 I\n",
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},
{
"id": "jvasp-116167",
"created_at": "2022-09-04T14:38:41.513619Z",
"updated_at": "2022-09-04T14:38:41.513636Z",
"structure_string": "Hg1 Cl3\n1.0\n5.027757 -0.503968 -0.110066\n0.867301 -6.415749 0.499467\n1.194387 -0.667467 -3.770523\nHg Cl\n1 3\ndirect\n0.062488 0.976559 0.879675 Hg\n0.465134 0.680955 0.138610 Cl\n0.951959 0.694448 0.635694 Cl\n0.078517 0.237784 0.235669 Cl\n",
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