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{
"id": "jvasp-123356",
"created_at": "2022-09-04T14:38:54.124722Z",
"updated_at": "2022-09-04T14:38:54.124748Z",
"structure_string": "Sc1 Ag3\n1.0\n4.222264 -0.000000 -0.000000\n0.000000 4.222264 0.000000\n0.000000 0.000000 4.222264\nSc Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.499999 0.499999 Ag\n0.499999 0.000000 0.499999 Ag\n0.499999 0.499999 0.000000 Ag\n",
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{
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"structure_string": "Li4 Mn4 F12\n1.0\n6.134569 -0.000000 0.000000\n0.000000 6.134569 -0.000000\n0.000000 0.000000 6.134569\nLi Mn F\n4 4 12\ndirect\n0.624987 0.624987 0.624987 Li\n0.375013 0.124987 0.875013 Li\n0.875013 0.375013 0.124987 Li\n0.124987 0.875013 0.375013 Li\n0.336311 0.336311 0.336311 Mn\n0.163689 0.663689 0.836311 Mn\n0.836311 0.163689 0.663689 Mn\n0.663689 0.836311 0.163689 Mn\n0.766465 0.870705 0.493738 F\n0.733536 0.129295 0.993738 F\n0.506262 0.266465 0.629295 F\n0.629295 0.506262 0.266465 F\n0.370705 0.006262 0.233535 F\n0.006262 0.233535 0.370705 F\n0.266465 0.629295 0.506262 F\n0.233535 0.370705 0.006262 F\n0.993738 0.733536 0.129295 F\n0.129295 0.993738 0.733536 F\n0.493738 0.766465 0.870705 F\n0.870705 0.493738 0.766465 F\n",
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{
"id": "jvasp-66163",
"created_at": "2022-09-04T14:36:19.056343Z",
"updated_at": "2022-09-04T14:36:19.056370Z",
"structure_string": "Ba4 Cu1 Rh1\n1.0\n0.000000 4.773699 4.773699\n4.773699 0.000000 4.773699\n4.773699 4.773699 -0.000000\nBa Cu Rh\n4 1 1\ndirect\n0.123586 0.625472 0.625472 Ba\n0.625472 0.625472 0.625472 Ba\n0.625472 0.123586 0.625472 Ba\n0.625472 0.625472 0.123586 Ba\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 6,
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"volume": 217.56803555986446,
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"formula_full": "Ba4 Cu1 Rh1",
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"spacegroup": 216
},
{
"id": "jvasp-90625",
"created_at": "2022-09-04T14:36:20.606583Z",
"updated_at": "2022-09-04T14:36:20.606612Z",
"structure_string": "Pr2 Cu2 Sn4\n1.0\n-0.000000 -0.000000 -4.643823\n-4.435386 0.000000 0.000000\n2.217693 9.423593 0.000000\nPr Cu Sn\n2 2 4\ndirect\n0.750000 0.104823 0.209645 Pr\n0.250000 0.895179 0.790355 Pr\n0.750000 0.324411 0.648822 Cu\n0.250000 0.675590 0.351178 Cu\n0.750000 0.457348 0.914695 Sn\n0.250000 0.542653 0.085305 Sn\n0.750000 0.747734 0.495465 Sn\n0.250000 0.252268 0.504534 Sn\n",
"nsites": 8,
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"chemical_system": "Cu-Pr-Sn",
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"formula_full": "Pr2 Cu2 Sn4",
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{
"id": "jvasp-43979",
"created_at": "2022-09-04T14:36:03.723187Z",
"updated_at": "2022-09-04T14:36:03.723215Z",
"structure_string": "Li4 Mn2 F8\n1.0\n3.192518 -0.002047 -0.002628\n0.003446 5.179618 0.031453\n0.009092 1.195983 9.596041\nLi Mn F\n4 2 8\ndirect\n0.000787 0.265815 0.077999 Li\n0.000924 0.230697 0.423040 Li\n0.999849 0.730720 0.923053 Li\n0.999934 0.765827 0.578009 Li\n0.500045 0.248271 0.750524 Mn\n0.500730 0.748260 0.250528 Mn\n0.500795 0.106229 0.131204 F\n0.000074 0.119292 0.621503 F\n0.500934 0.390291 0.369851 F\n0.000703 0.619257 0.121511 F\n0.000035 0.377261 0.879552 F\n0.499924 0.606265 0.631223 F\n0.000725 0.877257 0.379546 F\n0.499841 0.890289 0.869848 F\n",
"nsites": 14,
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"volume": 158.5604476603335,
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"formula_full": "Li4 Mn2 F8",
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{
"id": "jvasp-48608",
"created_at": "2022-09-04T14:37:03.463866Z",
"updated_at": "2022-09-04T14:37:03.463897Z",
"structure_string": "Li2 Mn2 F6\n1.0\n5.284930 0.000001 0.000000\n-2.642466 1.525628 4.640881\n2.642467 -4.576884 -0.000000\nLi Mn F\n2 2 6\ndirect\n0.144792 0.434378 0.144792 Li\n0.855208 0.565621 0.855207 Li\n0.642392 0.927177 0.642391 Mn\n0.357608 0.072823 0.357608 Mn\n0.236740 0.747443 0.558947 F\n0.048245 0.252556 0.763260 F\n0.441052 0.252556 0.048244 F\n0.558948 0.747443 0.951755 F\n0.951756 0.747443 0.236739 F\n0.763261 0.252556 0.441052 F\n",
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"volume": 112.25601597173441,
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"formula_full": "Li2 Mn2 F6",
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"spacegroup": 148
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{
"id": "jvasp-94247",
"created_at": "2022-09-04T14:35:58.127275Z",
"updated_at": "2022-09-04T14:35:58.127300Z",
"structure_string": "Mg6 V1 Fe1\n1.0\n6.222214 -0.137456 0.000000\n-3.230147 5.319866 0.000000\n0.000000 0.000000 4.712712\nMg V Fe\n6 1 1\ndirect\n0.176901 0.842017 0.250000 Mg\n0.657982 0.323099 0.250000 Mg\n0.670924 0.829075 0.250000 Mg\n0.320207 0.661693 0.750000 Mg\n0.838306 0.179792 0.750000 Mg\n0.831740 0.668259 0.750000 Mg\n0.307388 0.192612 0.750000 V\n0.196548 0.303452 0.250000 Fe\n",
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"formula_full": "Mg6 V1 Fe1",
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"spacegroup": 38
},
{
"id": "jvasp-43070",
"created_at": "2022-09-04T14:38:06.733052Z",
"updated_at": "2022-09-04T14:38:06.733076Z",
"structure_string": "Li4 Mn2 F8\n1.0\n2.933193 0.000000 0.000000\n-1.466596 4.748175 0.000000\n0.000000 -0.000000 9.733823\nLi Mn F\n4 2 8\ndirect\n0.374542 0.749087 0.438113 Li\n0.374542 0.749087 0.061887 Li\n0.625457 0.250914 0.561887 Li\n0.625457 0.250914 0.938113 Li\n0.119499 0.238999 0.250000 Mn\n0.880499 0.761002 0.750000 Mn\n0.000000 0.000000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.458215 0.916436 0.250000 F\n0.276855 0.553713 0.617227 F\n0.276855 0.553713 0.882772 F\n0.541783 0.083565 0.750000 F\n0.723143 0.446288 0.117227 F\n0.723143 0.446288 0.382772 F\n",
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"formula_full": "Li4 Mn2 F8",
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{
"id": "jvasp-12807",
"created_at": "2022-09-04T14:38:13.997305Z",
"updated_at": "2022-09-04T14:38:13.997316Z",
"structure_string": "Rb8 In4 S10\n1.0\n7.074328 -0.044914 2.594368\n-0.256271 8.948517 2.749740\n-0.079995 -0.037857 10.933792\nRb In S\n8 4 10\ndirect\n0.766610 0.473666 0.664058 Rb\n0.233391 0.526335 0.335942 Rb\n0.506320 0.790639 0.912057 Rb\n0.459110 0.816256 0.452509 Rb\n0.540891 0.183745 0.547491 Rb\n0.880101 0.818848 0.090111 Rb\n0.119900 0.181153 0.909889 Rb\n0.493682 0.209362 0.087943 Rb\n0.031216 -0.007070 0.341114 In\n0.123286 0.593134 0.827517 In\n0.876715 0.406866 0.172482 In\n0.968785 0.007071 0.658886 In\n0.729906 0.521068 0.351975 S\n0.735873 0.113519 0.819468 S\n0.270095 0.478933 0.648025 S\n0.219006 0.479573 0.038460 S\n0.178648 0.158553 0.429102 S\n0.821354 0.841448 0.570898 S\n0.199490 0.870668 0.768017 S\n0.800511 0.129332 0.231983 S\n0.780995 0.520428 0.961540 S\n0.264128 0.886482 0.180531 S\n",
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{
"id": "jvasp-108764",
"created_at": "2022-09-04T14:38:18.460687Z",
"updated_at": "2022-09-04T14:38:18.460706Z",
"structure_string": "La2 Al2 Zn2\n1.0\n4.527681 0.022511 3.734077\n2.113937 4.003956 3.734077\n-0.015893 -0.009635 7.698003\nLa Al Zn\n2 2 2\ndirect\n0.460807 0.460805 0.794074 La\n0.539195 0.539194 0.205926 La\n0.838063 0.838062 0.606368 Al\n0.161939 0.161938 0.393632 Al\n0.165758 0.165756 0.776266 Zn\n0.834244 0.834243 0.223734 Zn\n",
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{
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"structure_string": "Er3 Ag3 Ge3\n1.0\n3.671838 -6.359809 0.000000\n3.671838 6.359809 -0.000000\n-0.000000 -0.000000 4.022017\nEr Ag Ge\n3 3 3\ndirect\n0.392258 0.000000 0.000000 Er\n0.607742 0.607742 0.000000 Er\n0.000000 0.392258 0.000000 Er\n0.666667 0.333333 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.333333 0.666667 0.500000 Ag\n0.271227 0.271227 0.500000 Ge\n0.000000 0.728773 0.500000 Ge\n0.728773 0.000000 0.500000 Ge\n",
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{
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}
]
}