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{
"id": "jvasp-65201",
"created_at": "2022-09-04T14:36:05.829009Z",
"updated_at": "2022-09-04T14:36:05.829035Z",
"structure_string": "Ti1 Be1 Br4\n1.0\n-0.000000 4.386807 4.386807\n4.386807 0.000000 4.386807\n4.386807 4.386807 0.000000\nTi Be Br\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 Be\n0.125181 0.624940 0.624940 Br\n0.624940 0.624940 0.624940 Br\n0.624940 0.125181 0.624940 Br\n0.624940 0.624940 0.125181 Br\n",
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{
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"structure_string": "Ba1 Nb1 Cl1\n1.0\n-0.000000 3.893765 3.893765\n3.893765 -0.000000 3.893765\n3.893765 3.893765 0.000000\nBa Nb Cl\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.499999 0.499999 0.499999 Nb\n0.000000 0.000000 0.000000 Cl\n",
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{
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"structure_string": "Be1 Tc2 Ni1\n1.0\n-1.796034 1.796034 3.782969\n1.796034 -1.796034 3.782969\n1.796034 1.796034 -3.782969\nBe Tc Ni\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Tc\n0.250000 0.749999 0.499999 Tc\n0.749999 0.250000 0.499999 Ni\n",
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{
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"created_at": "2022-09-04T14:36:05.818272Z",
"updated_at": "2022-09-04T14:36:05.818302Z",
"structure_string": "Nb2 Ni4\n1.0\n-3.399779 -3.399779 -0.000000\n-3.399779 -0.000000 -3.399779\n0.000000 -3.399779 -3.399779\nNb Ni\n2 4\ndirect\n0.750000 0.750000 0.750000 Nb\n0.000000 0.000000 0.000000 Nb\n0.875000 0.375000 0.375000 Ni\n0.375000 0.875000 0.375000 Ni\n0.375000 0.375000 0.875000 Ni\n0.375000 0.375000 0.375000 Ni\n",
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"volume": 78.59267243633482,
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"formula_full": "Nb2 Ni4",
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{
"id": "jvasp-105702",
"created_at": "2022-09-04T14:36:05.817056Z",
"updated_at": "2022-09-04T14:36:05.817081Z",
"structure_string": "Rb2 Mn2 As2\n1.0\n3.904623 0.000000 -0.000000\n0.000000 3.904623 0.000000\n0.000000 -0.000000 11.324499\nRb Mn As\n2 2 2\ndirect\n0.000000 0.500000 0.303271 Rb\n0.500000 0.000000 0.696729 Rb\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.124820 As\n0.000000 0.500000 0.875180 As\n",
"nsites": 6,
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"elements": [
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{
"id": "jvasp-93320",
"created_at": "2022-09-04T14:36:05.816320Z",
"updated_at": "2022-09-04T14:36:05.816345Z",
"structure_string": "Ca1 Mg5\n1.0\n5.891068 0.000000 -0.000000\n-2.945534 5.101815 0.000000\n-0.000000 -0.000000 5.116417\nCa Mg\n1 5\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.603977 0.000000 Mg\n0.603978 0.000000 0.000000 Mg\n0.396023 0.396022 0.000000 Mg\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666666 0.500000 Mg\n",
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{
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"created_at": "2022-09-04T14:36:05.808767Z",
"updated_at": "2022-09-04T14:36:05.808792Z",
"structure_string": "Eu4 Ge2 Se8\n1.0\n6.857868 0.005824 -2.141365\n-0.006084 6.968685 0.001139\n-0.162874 -0.001790 7.723105\nEu Ge Se\n4 2 8\ndirect\n0.315692 0.727043 0.950065 Eu\n0.265419 0.714679 0.432733 Eu\n0.684286 0.227105 0.049937 Eu\n0.734564 0.214693 0.567262 Eu\n0.194369 0.180756 0.237381 Ge\n0.805627 0.680753 0.762587 Ge\n0.445702 0.436637 0.744338 Se\n-0.030547 0.392363 0.373042 Se\n0.554266 0.936678 0.255644 Se\n0.015494 0.325085 0.914520 Se\n0.462178 0.444704 0.260016 Se\n0.030577 0.892383 0.626980 Se\n-0.015484 0.825067 0.085489 Se\n0.537865 -0.055342 0.740011 Se\n",
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"elements": [
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"density": 6.271599076490118,
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"volume": 366.65945000739373,
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"formula_full": "Eu4 Ge2 Se8",
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"spacegroup": 4
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{
"id": "jvasp-94989",
"created_at": "2022-09-04T14:36:05.808257Z",
"updated_at": "2022-09-04T14:36:05.808282Z",
"structure_string": "Sr2 Co1 Br2 O2\n1.0\n3.824999 -0.000000 -0.874417\n-0.199897 3.819773 -0.874417\n0.153410 0.161648 9.474208\nSr Co Br O\n2 1 2 2\ndirect\n0.403617 0.403618 0.807235 Sr\n0.596381 0.596381 0.192763 Sr\n0.000000 0.000000 0.000000 Co\n0.178503 0.178503 0.357007 Br\n0.821496 0.821496 0.642993 Br\n-0.000000 0.500000 0.000001 O\n0.500000 0.000000 0.000001 O\n",
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"elements": [
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"density_atomic": 0.050177255226916344,
"volume": 139.50543863636892,
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"formula_full": "Sr2 Co1 Br2 O2",
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{
"id": "jvasp-42920",
"created_at": "2022-09-04T14:36:05.807197Z",
"updated_at": "2022-09-04T14:36:05.807224Z",
"structure_string": "Li3 Fe4 B4 O12\n1.0\n-5.207540 0.008542 0.054497\n2.592297 4.489021 -0.127999\n0.040368 -0.029243 -9.807383\nLi Fe B O\n3 4 4 12\ndirect\n0.009017 0.343818 0.354166 Li\n0.986050 0.346560 0.827134 Li\n0.994021 0.657288 0.105518 Li\n0.338943 0.313105 0.622373 Fe\n0.322509 0.005943 0.859503 Fe\n0.664824 0.988758 0.122909 Fe\n0.675780 0.677383 0.370183 Fe\n0.669996 0.678166 0.876635 B\n0.673791 0.985650 0.621313 B\n0.328779 0.001151 0.366416 B\n0.325829 0.322159 0.121600 B\n0.596027 0.576407 0.150143 O\n0.601641 0.022701 0.339245 O\n0.925819 0.660893 0.886658 O\n0.071564 0.735519 0.351466 O\n0.941328 0.240719 0.633805 O\n0.649736 0.724147 0.575902 O\n0.417800 0.988521 0.658851 O\n0.401732 0.429977 0.841568 O\n0.676937 0.944342 0.905393 O\n0.325348 0.065019 0.084680 O\n0.067178 0.330089 0.135384 O\n0.324086 0.257204 0.402437 O\n",
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"volume": 229.48741359808474,
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"formula_full": "Li3 Fe4 B4 O12",
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{
"id": "jvasp-74346",
"created_at": "2022-09-04T14:36:05.806419Z",
"updated_at": "2022-09-04T14:36:05.806450Z",
"structure_string": "Mn1 Be2 Ru1\n1.0\n-1.942484 1.942484 2.747167\n1.942484 -1.942484 2.747167\n1.942484 1.942484 -2.747167\nMn Be Ru\n1 2 1\ndirect\n0.500001 0.500001 0.000000 Mn\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.749999 0.250000 0.499999 Ru\n",
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{
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"created_at": "2022-09-04T14:36:05.803939Z",
"updated_at": "2022-09-04T14:36:05.803966Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n4.929530 0.000000 0.000000\n0.000000 6.356285 0.000000\n0.000000 0.000000 9.404382\nLi Mn P O\n4 4 4 16\ndirect\n0.019490 0.250000 0.333045 Li\n0.480510 0.250000 0.833045 Li\n0.980510 0.750001 0.666955 Li\n0.519490 0.750001 0.166955 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.478528 0.750001 0.820329 P\n0.021472 0.750001 0.320329 P\n0.521472 0.250000 0.179671 P\n0.978528 0.250000 0.679671 P\n0.083572 0.750001 0.155323 O\n0.416428 0.750001 0.655323 O\n0.788633 0.750001 0.855285 O\n0.711367 0.750001 0.355285 O\n0.151446 0.548591 0.381040 O\n0.348554 0.548591 0.881040 O\n0.651446 0.451409 0.118960 O\n0.651446 0.048591 0.118960 O\n0.583572 0.250000 0.344677 O\n0.211367 0.250000 0.144715 O\n0.288633 0.250000 0.644715 O\n0.916428 0.250000 0.844677 O\n0.348554 0.951410 0.881040 O\n0.848554 0.048591 0.618960 O\n0.848554 0.451409 0.618960 O\n0.151446 0.951410 0.381040 O\n",
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{
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}