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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4553",
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{
"id": "jvasp-3879",
"created_at": "2022-09-04T14:35:56.351628Z",
"updated_at": "2022-09-04T14:35:56.351648Z",
"structure_string": "Tl2 Sn1 Cl6\n1.0\n6.104373 0.000000 3.524361\n2.034791 5.755258 3.524361\n0.000000 0.000000 7.048723\nTl Sn Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Tl\n0.749999 0.750000 0.750000 Tl\n0.000000 0.000000 0.000000 Sn\n0.247411 0.752589 0.752589 Cl\n0.247411 0.752589 0.247411 Cl\n0.752589 0.247411 0.752589 Cl\n0.752589 0.247411 0.247411 Cl\n0.752588 0.752589 0.247411 Cl\n0.247411 0.247411 0.752589 Cl\n",
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{
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"updated_at": "2022-09-04T14:35:48.378275Z",
"structure_string": "Lu1 In1 Cu2\n1.0\n4.006323 0.000000 2.313052\n1.335441 3.777198 2.313052\n-0.000000 -0.000000 4.626103\nLu In Cu\n1 1 2\ndirect\n0.499999 0.500000 0.499999 Lu\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Cu\n0.749999 0.750000 0.749999 Cu\n",
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{
"id": "jvasp-91944",
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"updated_at": "2022-09-04T14:35:57.025916Z",
"structure_string": "Ca1 Zn3 Se4\n1.0\n5.932553 -0.000000 -0.000000\n0.000000 5.932553 0.000000\n-0.000000 0.000000 5.932553\nCa Zn Se\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.731520 0.731520 0.268479 Se\n0.731520 0.268479 0.731520 Se\n0.268479 0.731520 0.731520 Se\n0.268479 0.268479 0.268479 Se\n",
"nsites": 8,
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"density_atomic": 0.0383146715215073,
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"formula_full": "Ca1 Zn3 Se4",
"formula_reduced": "CaZn3Se4",
"formula_anonymous": "AB3C4",
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"spacegroup": 215
},
{
"id": "jvasp-68948",
"created_at": "2022-09-04T14:36:06.878334Z",
"updated_at": "2022-09-04T14:36:06.878347Z",
"structure_string": "Ba1 Fe1 Hg4\n1.0\n0.000000 4.323376 4.323376\n4.323376 -0.000000 4.323376\n4.323376 4.323376 -0.000000\nBa Fe Hg\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Fe\n0.122167 0.625945 0.625945 Hg\n0.625945 0.625945 0.625945 Hg\n0.625945 0.122167 0.625945 Hg\n0.625945 0.625945 0.122167 Hg\n",
"nsites": 6,
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"elements": [
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"density": 10.228343488579808,
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"volume": 161.62145707134096,
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"formula_full": "Ba1 Fe1 Hg4",
"formula_reduced": "BaFeHg4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-99566",
"created_at": "2022-09-04T14:36:06.928510Z",
"updated_at": "2022-09-04T14:36:06.928531Z",
"structure_string": "Na3 Co1 F6\n1.0\n4.877694 -0.000000 2.816138\n1.625898 4.598734 2.816138\n-0.000000 -0.000000 5.632276\nNa Co F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.749999 0.750001 Na\n0.500000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Co\n0.768361 0.231638 0.231639 F\n0.231639 0.768361 0.768363 F\n0.231639 0.768361 0.231639 F\n0.768361 0.231638 0.768363 F\n0.231639 0.231638 0.768362 F\n0.768361 0.768361 0.231640 F\n",
"nsites": 10,
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"elements": [
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"F"
],
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"density": 3.1793291236708177,
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"volume": 126.33880650823636,
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"formula_full": "Na3 Co1 F6",
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"formula_anonymous": "AB3C6",
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"spacegroup": 225
},
{
"id": "jvasp-86267",
"created_at": "2022-09-04T14:35:48.456402Z",
"updated_at": "2022-09-04T14:35:48.456437Z",
"structure_string": "Eu2 Cl6\n1.0\n7.338511 0.000001 0.000000\n-3.669256 6.355336 0.000000\n0.000000 0.000000 4.144632\nEu Cl\n2 6\ndirect\n0.333333 0.666667 0.250000 Eu\n0.666667 0.333333 0.750000 Eu\n0.386910 0.300596 0.250000 Cl\n0.913685 0.613091 0.250000 Cl\n0.300595 0.913686 0.750000 Cl\n0.613090 0.699405 0.750000 Cl\n0.086314 0.386910 0.750000 Cl\n0.699405 0.086314 0.250000 Cl\n",
"nsites": 8,
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"elements": [
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"density_atomic": 0.04138638669631787,
"volume": 193.30027669972353,
"volume_molar": 14.551018440408543,
"formula_full": "Eu2 Cl6",
"formula_reduced": "EuCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 176
},
{
"id": "jvasp-18658",
"created_at": "2022-09-04T14:35:53.916644Z",
"updated_at": "2022-09-04T14:35:53.916663Z",
"structure_string": "Tm2 Cd6\n1.0\n4.820707 0.000000 -0.000000\n0.000000 5.931772 -2.488562\n0.000000 -0.036634 6.432535\nTm Cd\n2 6\ndirect\n0.750000 0.366635 0.633366 Tm\n0.250000 0.633365 0.366635 Tm\n0.750000 0.822610 0.177390 Cd\n0.250000 0.177390 0.822611 Cd\n0.750000 0.313454 0.122946 Cd\n0.250000 0.686546 0.877056 Cd\n0.250000 0.122946 0.313455 Cd\n0.750000 0.877055 0.686546 Cd\n",
"nsites": 8,
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"elements": [
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"Cd"
],
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"density": 9.16082628642113,
"density_atomic": 0.04359649088592754,
"volume": 183.50100747632214,
"volume_molar": 13.813361207802807,
"formula_full": "Tm2 Cd6",
"formula_reduced": "TmCd3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-14591",
"created_at": "2022-09-04T14:36:07.574497Z",
"updated_at": "2022-09-04T14:36:07.574522Z",
"structure_string": "Sb2\n1.0\n3.862705 0.008824 2.527338\n1.371145 3.611168 2.527338\n0.012757 0.008824 4.616033\nSb\n2\ndirect\n0.267192 0.267192 0.267192 Sb\n0.732809 0.732807 0.732808 Sb\n",
"nsites": 2,
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"elements": [
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"density_atomic": 0.03117162436957734,
"volume": 64.16091687387154,
"volume_molar": 19.319303635255682,
"formula_full": "Sb2",
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"formula_anonymous": "A",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-14661",
"created_at": "2022-09-04T14:35:48.351503Z",
"updated_at": "2022-09-04T14:35:48.351523Z",
"structure_string": "Ba1 Ga4\n1.0\n4.322387 -0.000000 -1.686109\n-0.657730 4.272051 -1.686109\n-0.035882 -0.041829 6.291350\nBa Ga\n1 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.622201 0.622201 0.244402 Ga\n0.750001 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n0.377799 0.377799 0.755598 Ga\n",
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"elements": [
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],
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"volume": 115.56295518337042,
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"formula_full": "Ba1 Ga4",
"formula_reduced": "BaGa4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-87009",
"created_at": "2022-09-04T14:35:48.343081Z",
"updated_at": "2022-09-04T14:35:48.343106Z",
"structure_string": "La2 Se2 F2\n1.0\n4.229254 -0.000000 0.000000\n-2.114627 3.662641 -0.000000\n0.000000 -0.000000 8.202735\nLa Se F\n2 2 2\ndirect\n0.333332 0.666667 0.250000 La\n0.666666 0.333333 0.750000 La\n0.000000 0.000000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n0.666666 0.333333 0.250000 F\n0.333332 0.666667 0.750000 F\n",
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"volume": 127.0623264224128,
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"formula_full": "La2 Se2 F2",
"formula_reduced": "LaSeF",
"formula_anonymous": "ABC",
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"spacegroup": 194
},
{
"id": "jvasp-65586",
"created_at": "2022-09-04T14:36:05.356549Z",
"updated_at": "2022-09-04T14:36:05.356568Z",
"structure_string": "Ba1 Na2 Cd1\n1.0\n4.222304 0.000000 0.000000\n0.000000 4.222304 -0.000000\n0.000000 0.000000 8.133046\nBa Na Cd\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.689317 Na\n0.000000 0.000000 0.310683 Na\n0.500000 0.500000 0.500000 Cd\n",
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"formula_full": "Ba1 Na2 Cd1",
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{
"id": "jvasp-3417",
"created_at": "2022-09-04T14:35:48.315456Z",
"updated_at": "2022-09-04T14:35:48.315473Z",
"structure_string": "Ba1 Pb1 F6\n1.0\n5.064004 -0.018796 -0.623061\n-0.702141 5.015127 -0.623061\n-0.016409 -0.018796 5.102164\nBa Pb F\n1 1 6\ndirect\n0.499999 0.499999 0.500000 Ba\n0.000000 0.000000 0.000000 Pb\n0.702118 0.702119 0.067526 F\n0.702118 0.067525 0.702118 F\n0.297881 0.932474 0.297881 F\n0.297880 0.297880 0.932473 F\n0.932473 0.297880 0.297881 F\n0.067526 0.702119 0.702119 F\n",
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