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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=1101",
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"results": [
{
"id": "jvasp-1248",
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"updated_at": "2022-09-04T14:36:05.883719Z",
"structure_string": "Be1 Te1\n1.0\n3.465364 -0.000000 2.000729\n1.155122 3.267177 2.000729\n0.000000 0.000000 4.001458\nBe Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Te\n",
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{
"id": "jvasp-97445",
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"structure_string": "Ba6 Zn10 In4 O22\n1.0\n8.257721 0.000000 4.767597\n2.752574 7.785454 4.767597\n0.000000 0.000000 9.535194\nBa Zn In O\n6 10 4 22\ndirect\n0.294113 0.294113 0.705887 Ba\n0.294113 0.705886 0.294114 Ba\n0.705887 0.294113 0.294114 Ba\n0.705887 0.705886 0.294114 Ba\n0.294113 0.705886 0.705887 Ba\n0.705887 0.294113 0.705887 Ba\n0.418502 0.081498 0.081498 Zn\n0.751112 0.082962 0.082963 Zn\n0.418502 0.081498 0.418502 Zn\n0.081498 0.418502 0.418502 Zn\n0.081498 0.418502 0.081498 Zn\n0.418502 0.418502 0.081498 Zn\n0.082962 0.082962 0.751112 Zn\n0.082962 0.751112 0.082963 Zn\n0.082962 0.082962 0.082963 Zn\n0.081498 0.081498 0.418502 Zn\n0.834878 0.834878 0.834879 In\n0.834878 0.834878 0.495364 In\n0.834879 0.495364 0.834879 In\n0.495363 0.834878 0.834879 In\n0.671330 0.333633 0.997518 O\n0.667825 0.996523 0.667826 O\n0.667825 0.667825 0.996524 O\n0.342390 0.342390 0.972830 O\n0.997518 0.997517 0.333634 O\n0.333633 0.671330 0.997518 O\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.997518 0.671330 0.997518 O\n0.997518 0.333633 0.997518 O\n0.342390 0.972830 0.342391 O\n0.972830 0.342390 0.342390 O\n0.997518 0.997517 0.671331 O\n0.667825 0.667825 0.667826 O\n0.671330 0.997517 0.997518 O\n0.333633 0.997517 0.997518 O\n0.333633 0.997517 0.671331 O\n0.342390 0.342390 0.342390 O\n0.997518 0.671330 0.333634 O\n0.671330 0.997517 0.333634 O\n0.997518 0.333633 0.671331 O\n0.996523 0.667825 0.667826 O\n",
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"density_atomic": 0.06851341393675466,
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"volume_molar": 8.789725126759983,
"formula_full": "Ba6 Zn10 In4 O22",
"formula_reduced": "Ba3Zn5In2O11",
"formula_anonymous": "A2B3C5D11",
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"spacegroup": 216
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{
"id": "jvasp-64626",
"created_at": "2022-09-04T14:36:05.896435Z",
"updated_at": "2022-09-04T14:36:05.896468Z",
"structure_string": "Ba4 Ca1 Mo1\n1.0\n0.000000 4.987160 4.987160\n4.987160 -0.000000 4.987160\n4.987160 4.987160 -0.000000\nBa Ca Mo\n4 1 1\ndirect\n0.119594 0.626802 0.626802 Ba\n0.626802 0.626802 0.626802 Ba\n0.626802 0.119594 0.626802 Ba\n0.626802 0.626802 0.119594 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Mo\n",
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"density": 4.587292207880256,
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"volume": 248.07894173425143,
"volume_molar": 24.899438445258344,
"formula_full": "Ba4 Ca1 Mo1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-64961",
"created_at": "2022-09-04T14:36:06.062502Z",
"updated_at": "2022-09-04T14:36:06.062531Z",
"structure_string": "Be1 Ir4 Se1\n1.0\n-0.000000 3.675521 3.675521\n3.675521 0.000000 3.675521\n3.675521 3.675521 -0.000000\nBe Ir Se\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.625260 0.124218 0.625260 Ir\n0.124218 0.625260 0.625260 Ir\n0.625260 0.625260 0.625260 Ir\n0.625260 0.625260 0.124218 Ir\n0.250000 0.250000 0.250000 Se\n",
"nsites": 6,
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"elements": [
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"density": 14.327228960434427,
"density_atomic": 0.060417747446607,
"volume": 99.30856831930687,
"volume_molar": 9.967502951549044,
"formula_full": "Be1 Ir4 Se1",
"formula_reduced": "BeIr4Se",
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"spacegroup": 216
},
{
"id": "jvasp-75747",
"created_at": "2022-09-04T14:36:06.206198Z",
"updated_at": "2022-09-04T14:36:06.206218Z",
"structure_string": "Ti1 As1 Pd2\n1.0\n0.000000 3.152997 3.152997\n3.152997 0.000000 3.152997\n3.152997 3.152997 -0.000000\nTi As Pd\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Ti\n0.500001 0.500001 0.500001 As\n0.000000 0.000000 0.000000 Pd\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 4,
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"density": 8.89011523898648,
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"volume": 62.690346208808265,
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"formula_full": "Ti1 As1 Pd2",
"formula_reduced": "TiAsPd2",
"formula_anonymous": "ABC2",
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"spacegroup": 216
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{
"id": "jvasp-66652",
"created_at": "2022-09-04T14:36:05.947027Z",
"updated_at": "2022-09-04T14:36:05.947047Z",
"structure_string": "Ba1 Sb1 Mo1\n1.0\n-0.000000 3.881152 3.881152\n3.881152 0.000000 3.881152\n3.881152 3.881152 0.000000\nBa Sb Mo\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 3,
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"elements": [
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"Sb",
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],
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"volume": 116.92623091083878,
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"formula_full": "Ba1 Sb1 Mo1",
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"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-64398",
"created_at": "2022-09-04T14:36:05.975063Z",
"updated_at": "2022-09-04T14:36:05.975093Z",
"structure_string": "Ba4 Be1 Ga1\n1.0\n-0.000000 4.981820 4.981820\n4.981820 -0.000000 4.981820\n4.981820 4.981820 0.000000\nBa Be Ga\n4 1 1\ndirect\n0.124504 0.625165 0.625165 Ba\n0.625165 0.625165 0.625165 Ba\n0.625165 0.124504 0.625165 Ba\n0.625165 0.625165 0.124504 Ba\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 6,
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"Ga"
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"density": 4.217397260688965,
"density_atomic": 0.02426370735140083,
"volume": 247.28290335456913,
"volume_molar": 24.81954085904486,
"formula_full": "Ba4 Be1 Ga1",
"formula_reduced": "Ba4BeGa",
"formula_anonymous": "ABC4",
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"spacegroup": 216
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{
"id": "jvasp-69292",
"created_at": "2022-09-04T14:36:06.308266Z",
"updated_at": "2022-09-04T14:36:06.308285Z",
"structure_string": "Ba1 Hf4 Ga1\n1.0\n-0.000000 4.247413 4.247413\n4.247413 0.000000 4.247413\n4.247413 4.247413 0.000000\nBa Hf Ga\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.624978 0.125066 0.624978 Hf\n0.125066 0.624978 0.624978 Hf\n0.624978 0.624978 0.624978 Hf\n0.624978 0.624978 0.125066 Hf\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 6,
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"elements": [
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"density_atomic": 0.039151443489515846,
"volume": 153.25105450088213,
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"formula_full": "Ba1 Hf4 Ga1",
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"spacegroup": 216
},
{
"id": "jvasp-93504",
"created_at": "2022-09-04T14:36:06.312692Z",
"updated_at": "2022-09-04T14:36:06.312719Z",
"structure_string": "Ce1 Mn1 Ni4\n1.0\n-3.479183 -3.479183 0.000000\n-3.479183 -0.000000 -3.479183\n0.000000 -3.479183 -3.479183\nCe Mn Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.749999 0.749999 0.749999 Mn\n0.871286 0.376238 0.376238 Ni\n0.376238 0.871286 0.376238 Ni\n0.376238 0.376238 0.871286 Ni\n0.376238 0.376238 0.376238 Ni\n",
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"volume": 84.22903275527963,
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"formula_full": "Ce1 Mn1 Ni4",
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{
"id": "jvasp-66307",
"created_at": "2022-09-04T14:36:06.073111Z",
"updated_at": "2022-09-04T14:36:06.073139Z",
"structure_string": "Ba1 Hf1 Te1\n1.0\n0.000000 3.999419 3.999419\n3.999419 0.000000 3.999419\n3.999419 3.999419 0.000000\nBa Hf Te\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Te\n",
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{
"id": "jvasp-66470",
"created_at": "2022-09-04T14:36:06.092897Z",
"updated_at": "2022-09-04T14:36:06.092915Z",
"structure_string": "Ba1 Sn1 Hg1\n1.0\n0.000000 3.939999 3.939999\n3.939999 0.000000 3.939999\n3.939999 3.939999 0.000000\nBa Sn Hg\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Hg\n",
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"volume": 122.32587485842362,
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{
"id": "jvasp-64757",
"created_at": "2022-09-04T14:36:06.102572Z",
"updated_at": "2022-09-04T14:36:06.102592Z",
"structure_string": "Ba1 Zr4 Tl1\n1.0\n-0.000000 4.312214 4.312214\n4.312214 -0.000000 4.312214\n4.312214 4.312214 -0.000000\nBa Zr Tl\n1 4 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.872792 0.375736 0.375736 Zr\n0.375736 0.375736 0.872792 Zr\n0.375736 0.872792 0.375736 Zr\n0.375736 0.375736 0.375736 Zr\n0.000000 0.000000 0.000000 Tl\n",
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"formula_full": "Ba1 Zr4 Tl1",
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}