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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4638",
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{
"id": "jvasp-66259",
"created_at": "2022-09-04T14:36:00.773190Z",
"updated_at": "2022-09-04T14:36:00.773219Z",
"structure_string": "Ba1 Ca1 Pb1\n1.0\n0.000000 3.956086 3.956086\n3.956086 -0.000000 3.956086\n3.956086 3.956086 0.000000\nBa Ca Pb\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Ca\n0.500001 0.500001 0.500001 Pb\n",
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{
"id": "jvasp-69129",
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"updated_at": "2022-09-04T14:36:00.035520Z",
"structure_string": "Ba2 Tl1 Hg1\n1.0\n0.000000 4.207891 4.207891\n4.207891 -0.000000 4.207891\n4.207891 4.207891 -0.000000\nBa Tl Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
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{
"id": "jvasp-1984",
"created_at": "2022-09-04T14:36:00.184863Z",
"updated_at": "2022-09-04T14:36:00.184891Z",
"structure_string": "Hg2 Br2\n1.0\n4.362957 0.000000 -1.686279\n-0.651746 4.314003 -1.686279\n0.030526 0.035484 6.566321\nHg Br\n2 2\ndirect\n0.884542 0.884540 0.769083 Hg\n0.115459 0.115458 0.230916 Hg\n0.654194 0.654194 0.308389 Br\n0.345806 0.345805 0.691610 Br\n",
"nsites": 4,
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"elements": [
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"Br"
],
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"volume": 124.11216776225028,
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"formula_full": "Hg2 Br2",
"formula_reduced": "HgBr",
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{
"id": "jvasp-69051",
"created_at": "2022-09-04T14:36:00.204227Z",
"updated_at": "2022-09-04T14:36:00.204249Z",
"structure_string": "Ba2 Zn1 Bi1\n1.0\n-0.000000 4.213849 4.213849\n4.213849 0.000000 4.213849\n4.213849 4.213849 -0.000000\nBa Zn Bi\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
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"elements": [
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"Zn",
"Bi"
],
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"density": 6.092406464347839,
"density_atomic": 0.026729638719354906,
"volume": 149.64661670131755,
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"formula_full": "Ba2 Zn1 Bi1",
"formula_reduced": "Ba2ZnBi",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-105688",
"created_at": "2022-09-04T14:36:00.298678Z",
"updated_at": "2022-09-04T14:36:00.298701Z",
"structure_string": "Rb3 Sb1 Cl6\n1.0\n6.946455 -0.000000 4.010538\n2.315485 6.549181 4.010538\n-0.000000 -0.000000 8.021075\nRb Sb Cl\n3 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sb\n0.766641 0.233360 0.233360 Cl\n0.233361 0.233360 0.766640 Cl\n0.233361 0.766640 0.766640 Cl\n0.233361 0.766640 0.233360 Cl\n0.766641 0.233360 0.766640 Cl\n0.766641 0.766640 0.233360 Cl\n",
"nsites": 10,
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"elements": [
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"Sb",
"Cl"
],
"chemical_system": "Cl-Rb-Sb",
"density": 2.6888502746500533,
"density_atomic": 0.02740420470521345,
"volume": 364.9075062593432,
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"formula_full": "Rb3 Sb1 Cl6",
"formula_reduced": "Rb3SbCl6",
"formula_anonymous": "AB3C6",
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"spacegroup": 225
},
{
"id": "jvasp-65224",
"created_at": "2022-09-04T14:35:50.254503Z",
"updated_at": "2022-09-04T14:35:50.254535Z",
"structure_string": "Ca4 Be1 Zn1\n1.0\n0.000000 4.601113 4.601113\n4.601113 0.000000 4.601113\n4.601113 4.601113 -0.000000\nCa Be Zn\n4 1 1\ndirect\n0.124070 0.625310 0.625310 Ca\n0.625310 0.625310 0.625310 Ca\n0.625310 0.124070 0.625310 Ca\n0.625310 0.625310 0.124070 Ca\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Zn\n",
"nsites": 6,
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"elements": [
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"density": 2.000805579290526,
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"volume": 194.81334067278186,
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"formula_full": "Ca4 Be1 Zn1",
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"spacegroup": 216
},
{
"id": "jvasp-64565",
"created_at": "2022-09-04T14:36:11.539312Z",
"updated_at": "2022-09-04T14:36:11.539337Z",
"structure_string": "K1 Ba1 Cl1\n1.0\n-0.000000 4.267584 4.267584\n4.267584 0.000000 4.267584\n4.267584 4.267584 0.000000\nK Ba Cl\n1 1 1\ndirect\n0.499999 0.499999 0.499999 K\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
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"elements": [
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],
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"spacegroup": 216
},
{
"id": "jvasp-94805",
"created_at": "2022-09-04T14:36:00.090655Z",
"updated_at": "2022-09-04T14:36:00.090680Z",
"structure_string": "K1 Mg6 Sn1\n1.0\n7.771446 0.840565 0.000000\n-3.157773 5.469423 0.000000\n0.000000 0.000000 4.966167\nK Mg Sn\n1 6 1\ndirect\n0.091482 0.795740 0.250000 K\n0.641968 0.308844 0.250000 Mg\n0.641968 0.833122 0.250000 Mg\n0.362772 0.172465 0.750000 Mg\n0.362772 0.690307 0.750000 Mg\n0.865412 0.182706 0.750000 Mg\n0.753705 0.626852 0.750000 Mg\n0.279930 0.389966 0.250000 Sn\n",
"nsites": 8,
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],
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"density": 2.248194431705306,
"density_atomic": 0.03567123996743844,
"volume": 224.27030872216918,
"volume_molar": 16.882342092669482,
"formula_full": "K1 Mg6 Sn1",
"formula_reduced": "KMg6Sn",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-91835",
"created_at": "2022-09-04T14:35:50.206690Z",
"updated_at": "2022-09-04T14:35:50.206717Z",
"structure_string": "Er2 Cd4 Cu2\n1.0\n4.594454 0.000000 0.000000\n-0.000000 5.789575 -2.439581\n0.000000 -0.017814 6.282550\nEr Cd Cu\n2 4 2\ndirect\n0.250000 0.859324 0.140677 Er\n0.749999 0.140677 0.859324 Er\n0.749999 0.194934 0.386231 Cd\n0.250000 0.805067 0.613770 Cd\n0.749999 0.613770 0.805067 Cd\n0.250000 0.386231 0.194934 Cd\n0.749999 0.679994 0.320007 Cu\n0.250000 0.320008 0.679994 Cu\n",
"nsites": 8,
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"elements": [
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],
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"density": 9.065488335296493,
"density_atomic": 0.047928368452405105,
"volume": 166.9157590445487,
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"formula_full": "Er2 Cd4 Cu2",
"formula_reduced": "ErCd2Cu",
"formula_anonymous": "ABC2",
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"spacegroup": 63
},
{
"id": "jvasp-94204",
"created_at": "2022-09-04T14:36:00.219081Z",
"updated_at": "2022-09-04T14:36:00.219108Z",
"structure_string": "Mg6 Fe1 Bi1\n1.0\n6.406087 -0.043768 0.000000\n-3.240948 5.525949 0.000000\n0.000000 0.000000 4.929089\nMg Fe Bi\n6 1 1\ndirect\n0.161951 0.810253 0.250000 Mg\n0.689747 0.338049 0.250000 Mg\n0.666771 0.833229 0.250000 Mg\n0.327121 0.644643 0.750000 Mg\n0.855358 0.172879 0.750000 Mg\n0.831649 0.668351 0.750000 Mg\n0.135125 0.364875 0.250000 Fe\n0.332278 0.167722 0.750000 Bi\n",
"nsites": 8,
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"volume": 173.78913107005187,
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"formula_full": "Mg6 Fe1 Bi1",
"formula_reduced": "Mg6FeBi",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-105677",
"created_at": "2022-09-04T14:36:00.259932Z",
"updated_at": "2022-09-04T14:36:00.259960Z",
"structure_string": "Na2 Li1 Rh1 F6\n1.0\n4.805531 0.000000 2.774474\n1.601843 4.530698 2.774474\n0.000000 0.000000 5.548949\nNa Li Rh F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.749999 0.750000 0.749999 Na\n0.499999 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Rh\n0.252208 0.252209 0.747791 F\n0.252208 0.747792 0.747791 F\n0.747791 0.747792 0.252208 F\n0.252208 0.747792 0.252208 F\n0.747791 0.252209 0.747791 F\n0.747791 0.252209 0.252208 F\n",
"nsites": 10,
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"density_atomic": 0.08277187036737897,
"volume": 120.81399098045604,
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"formula_reduced": "Na2LiRhF6",
"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-93182",
"created_at": "2022-09-04T14:35:50.786241Z",
"updated_at": "2022-09-04T14:35:50.786272Z",
"structure_string": "K1 Ba1 Mg6\n1.0\n7.434916 0.251487 0.000000\n-3.499663 6.564567 0.000000\n0.000000 0.000000 5.325336\nK Ba Mg\n1 1 6\ndirect\n0.098134 0.401866 0.250000 K\n0.402574 0.097426 0.750001 Ba\n0.030096 0.874115 0.250000 Mg\n0.625886 0.469905 0.250000 Mg\n0.597609 0.902393 0.250000 Mg\n0.476001 0.629243 0.750001 Mg\n0.870758 0.024000 0.750001 Mg\n0.898952 0.601050 0.750001 Mg\n",
"nsites": 8,
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