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{
"id": "jvasp-99522",
"created_at": "2022-09-04T14:36:06.248674Z",
"updated_at": "2022-09-04T14:36:06.248701Z",
"structure_string": "K2 Sc1 Tl1 Cl6\n1.0\n6.678943 -0.000000 3.856090\n2.226314 6.296968 3.856090\n-0.000000 -0.000000 7.712179\nK Sc Tl Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.499999 0.500000 0.500000 Tl\n0.773017 0.226983 0.226983 Cl\n0.226982 0.226983 0.773017 Cl\n0.226982 0.773018 0.773018 Cl\n0.226982 0.773018 0.226983 Cl\n0.773017 0.226983 0.773018 Cl\n0.773016 0.773018 0.226983 Cl\n",
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{
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"structure_string": "Mg4 Be1 Pb1\n1.0\n0.000000 4.090846 4.090846\n4.090846 -0.000000 4.090846\n4.090846 4.090846 -0.000000\nMg Be Pb\n4 1 1\ndirect\n0.123470 0.625511 0.625511 Mg\n0.625511 0.625511 0.625511 Mg\n0.625511 0.123470 0.625511 Mg\n0.625511 0.625511 0.123470 Mg\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Pb\n",
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{
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"created_at": "2022-09-04T14:36:06.220246Z",
"updated_at": "2022-09-04T14:36:06.220272Z",
"structure_string": "K2 Ag1 Au1 Cl6\n1.0\n6.219409 0.000000 3.590777\n2.073136 5.863716 3.590777\n0.000000 0.000000 7.181555\nK Ag Au Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n0.751589 0.248412 0.248412 Cl\n0.248412 0.248412 0.751589 Cl\n0.248412 0.751589 0.751589 Cl\n0.248412 0.751589 0.248412 Cl\n0.751589 0.248412 0.751589 Cl\n0.751589 0.751589 0.248412 Cl\n",
"nsites": 10,
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"elements": [
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"density": 3.7772188825593145,
"density_atomic": 0.038182069480232984,
"volume": 261.90303815713924,
"volume_molar": 15.772169612539438,
"formula_full": "K2 Ag1 Au1 Cl6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-90182",
"created_at": "2022-09-04T14:35:53.170679Z",
"updated_at": "2022-09-04T14:35:53.170700Z",
"structure_string": "Er3 Cd3 Ga3\n1.0\n0.000000 0.000000 -4.334446\n-3.595830 -6.228161 0.000000\n-3.595815 6.228151 0.000000\nEr Cd Ga\n3 3 3\ndirect\n0.500000 0.577573 0.000000 Er\n0.500000 0.422401 0.422413 Er\n0.500000 0.999989 0.577588 Er\n0.000000 0.251097 0.000000 Cd\n0.000000 0.748883 0.748891 Cd\n0.000000 0.999990 0.251109 Cd\n0.000000 0.333324 0.666668 Ga\n0.000000 0.666656 0.333333 Ga\n0.500000 0.999988 0.000000 Ga\n",
"nsites": 9,
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"elements": [
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"Cd",
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"density": 8.965267079328354,
"density_atomic": 0.04635762621578044,
"volume": 194.14281391604862,
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"formula_full": "Er3 Cd3 Ga3",
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"spacegroup": 189
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{
"id": "jvasp-76262",
"created_at": "2022-09-04T14:35:53.165295Z",
"updated_at": "2022-09-04T14:35:53.165305Z",
"structure_string": "Ba9 Ag6\n1.0\n8.372439 0.032191 2.714288\n1.983048 8.134268 2.714286\n0.040820 0.032194 8.801331\nBa Ag\n9 6\ndirect\n0.500000 0.500000 0.500000 Ba\n0.296421 0.296421 0.296421 Ba\n0.703579 0.703579 0.703579 Ba\n0.336921 0.838434 0.103721 Ba\n0.103720 0.336921 0.838434 Ba\n0.838434 0.103720 0.336921 Ba\n0.663079 0.161565 0.896280 Ba\n0.896280 0.663079 0.161566 Ba\n0.161566 0.896280 0.663079 Ba\n0.646681 0.459566 0.090042 Ag\n0.090042 0.646681 0.459566 Ag\n0.459566 0.090042 0.646681 Ag\n0.353319 0.540434 0.909958 Ag\n0.909958 0.353319 0.540435 Ag\n0.540435 0.909958 0.353320 Ag\n",
"nsites": 15,
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"volume": 597.3850164238454,
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"formula_full": "Ba9 Ag6",
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{
"id": "jvasp-105867",
"created_at": "2022-09-04T14:36:04.523840Z",
"updated_at": "2022-09-04T14:36:04.523869Z",
"structure_string": "Th1 Mg1 Hg2\n1.0\n4.502280 -0.000000 2.599392\n1.500760 4.244789 2.599392\n0.000000 0.000000 5.198784\nTh Mg Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.499999 Mg\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.749999 Hg\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-64151",
"created_at": "2022-09-04T14:36:04.426616Z",
"updated_at": "2022-09-04T14:36:04.426633Z",
"structure_string": "K1 Ba1 In1\n1.0\n-0.000000 4.155084 4.155084\n4.155084 -0.000000 4.155084\n4.155084 4.155084 -0.000000\nK Ba In\n1 1 1\ndirect\n0.500000 0.500000 0.500000 K\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 In\n",
"nsites": 3,
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"elements": [
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],
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"density": 3.3708204584134545,
"density_atomic": 0.02090989418565369,
"volume": 143.47274899450733,
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"formula_full": "K1 Ba1 In1",
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"formula_anonymous": "ABC",
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"spacegroup": 216
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{
"id": "jvasp-3639",
"created_at": "2022-09-04T14:36:04.409162Z",
"updated_at": "2022-09-04T14:36:04.409189Z",
"structure_string": "Pr2 Br6\n1.0\n3.966994 -6.871035 0.000000\n3.966994 6.871035 0.000000\n0.000000 0.000000 4.458346\nPr Br\n2 6\ndirect\n0.333333 0.666666 0.750001 Pr\n0.666666 0.333333 0.250000 Pr\n0.914471 0.616768 0.750001 Br\n0.297703 0.914471 0.250000 Br\n0.085529 0.383231 0.250000 Br\n0.702296 0.085528 0.750001 Br\n0.383231 0.297703 0.750001 Br\n0.616768 0.702296 0.250000 Br\n",
"nsites": 8,
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"elements": [
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"volume": 243.04543587052783,
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"formula_full": "Pr2 Br6",
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"spacegroup": 176
},
{
"id": "jvasp-94774",
"created_at": "2022-09-04T14:36:04.386294Z",
"updated_at": "2022-09-04T14:36:04.386314Z",
"structure_string": "Ca1 Mg6 Zn1\n1.0\n6.830806 0.358484 0.000000\n-3.104932 5.377674 0.000000\n0.000000 0.000000 5.027737\nCa Mg Zn\n1 6 1\ndirect\n0.125087 0.312537 0.250000 Ca\n0.638521 0.323588 0.250000 Mg\n0.638519 0.814915 0.250000 Mg\n0.341785 0.169431 0.750000 Mg\n0.341780 0.672361 0.750000 Mg\n0.801437 0.150726 0.750000 Mg\n0.883126 0.691567 0.750000 Mg\n0.229747 0.864869 0.250000 Zn\n",
"nsites": 8,
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"formula_full": "Ca1 Mg6 Zn1",
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"spacegroup": 38
},
{
"id": "jvasp-91557",
"created_at": "2022-09-04T14:36:04.373484Z",
"updated_at": "2022-09-04T14:36:04.373511Z",
"structure_string": "K4 Cd2 Sn2\n1.0\n-6.466182 0.000000 0.000000\n0.000000 -4.255238 -5.396599\n0.000000 -4.255238 5.396599\nK Cd Sn\n4 2 2\ndirect\n0.250000 0.685520 0.023209 K\n0.750000 0.976792 0.314481 K\n0.250000 0.033213 0.675596 K\n0.750000 0.324404 0.966787 K\n0.500000 0.505071 0.494929 Cd\n0.000000 0.505071 0.494929 Cd\n0.250000 0.233844 0.223914 Sn\n0.750000 0.776086 0.766157 Sn\n",
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{
"id": "jvasp-65235",
"created_at": "2022-09-04T14:36:04.308370Z",
"updated_at": "2022-09-04T14:36:04.308392Z",
"structure_string": "Be1 In1 Ga4\n1.0\n-0.000000 3.915913 3.915913\n3.915913 -0.000000 3.915913\n3.915913 3.915913 0.000000\nBe In Ga\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 In\n0.122931 0.625690 0.625690 Ga\n0.625690 0.625690 0.625690 Ga\n0.625690 0.122931 0.625690 Ga\n0.625690 0.625690 0.122931 Ga\n",
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{
"id": "jvasp-64882",
"created_at": "2022-09-04T14:36:04.203851Z",
"updated_at": "2022-09-04T14:36:04.203872Z",
"structure_string": "Be1 Cd4 Ga1\n1.0\n-0.000000 4.049537 4.049537\n4.049537 -0.000000 4.049537\n4.049537 4.049537 0.000000\nBe Cd Ga\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.625241 0.124279 0.625241 Cd\n0.124279 0.625241 0.625241 Cd\n0.625241 0.625241 0.625241 Cd\n0.625241 0.625241 0.124279 Cd\n0.250000 0.250000 0.250000 Ga\n",
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}