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{
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{
"id": "jvasp-3906",
"created_at": "2022-09-04T14:36:00.947163Z",
"updated_at": "2022-09-04T14:36:00.947186Z",
"structure_string": "Cd2 Br4\n1.0\n2.011894 -3.484702 0.000000\n2.011894 3.484702 0.000000\n0.000000 0.000000 12.547449\nCd Br\n2 4\ndirect\n0.666666 0.333332 0.124967 Cd\n0.333332 0.666666 0.624967 Cd\n0.000000 0.000000 0.250846 Br\n0.000000 0.000000 0.750846 Br\n0.333332 0.666666 -0.000813 Br\n0.666666 0.333332 0.499187 Br\n",
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{
"id": "jvasp-65745",
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"structure_string": "Ba1 Ca2 Sn1\n1.0\n4.248662 0.000000 0.000000\n0.000000 4.248662 -0.000000\n0.000000 -0.000000 8.596681\nBa Ca Sn\n1 2 1\ndirect\n0.500000 0.500000 0.704606 Ba\n0.000000 0.000000 0.045948 Ca\n0.500000 0.500000 0.297091 Ca\n0.000000 0.000000 0.452355 Sn\n",
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{
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"structure_string": "Rb1 Li1 Mg6\n1.0\n8.742649 -1.414950 0.000000\n-5.596707 6.863880 0.000000\n0.000000 0.000000 5.013435\nRb Li Mg\n1 1 6\ndirect\n0.286273 0.213727 0.749999 Rb\n0.109143 0.390857 0.250000 Li\n0.213573 0.800827 0.250000 Mg\n0.699172 0.286426 0.250000 Mg\n0.634368 0.865632 0.250000 Mg\n0.326669 0.682050 0.749999 Mg\n0.817950 0.173331 0.749999 Mg\n0.912851 0.587149 0.749999 Mg\n",
"nsites": 8,
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"formula_full": "Rb1 Li1 Mg6",
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{
"id": "jvasp-68080",
"created_at": "2022-09-04T14:36:08.379723Z",
"updated_at": "2022-09-04T14:36:08.379758Z",
"structure_string": "Be1 Zn2 Ge1\n1.0\n2.770508 0.000000 -0.000000\n-0.000000 2.770508 -0.000000\n-0.000000 -0.000000 7.684659\nBe Zn Ge\n1 2 1\ndirect\n0.000000 0.000000 0.480224 Be\n0.000000 0.000000 0.024490 Zn\n0.500000 0.500000 0.282678 Zn\n0.500000 0.500000 0.712609 Ge\n",
"nsites": 4,
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],
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"density_atomic": 0.06781356457927572,
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{
"id": "jvasp-64129",
"created_at": "2022-09-04T14:35:42.097982Z",
"updated_at": "2022-09-04T14:35:42.098000Z",
"structure_string": "K1 Ba1 Zn1\n1.0\n-0.000000 4.073482 4.073482\n4.073482 0.000000 4.073482\n4.073482 4.073482 -0.000000\nK Ba Zn\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 3,
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"elements": [
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"density_atomic": 0.02219186768403066,
"volume": 135.18465605122591,
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},
{
"id": "jvasp-97379",
"created_at": "2022-09-04T14:35:45.648813Z",
"updated_at": "2022-09-04T14:35:45.648832Z",
"structure_string": "K4 Ga4 Cl16\n1.0\n7.280057 0.197054 0.000000\n-0.285398 9.551631 0.000000\n0.000000 0.000000 9.693759\nK Ga Cl\n4 4 16\ndirect\n0.319417 0.250676 0.750778 K\n0.180583 0.249324 0.250778 K\n0.680583 0.749323 0.249222 K\n0.819418 0.750676 0.749222 K\n0.749976 0.183406 0.000791 Ga\n0.250024 0.816593 0.999209 Ga\n0.249976 0.683406 0.499209 Ga\n0.750025 0.316593 0.500791 Ga\n0.833027 0.053593 0.178505 Cl\n0.666973 0.446406 0.678505 Cl\n0.166973 0.946406 0.821495 Cl\n0.333027 0.553593 0.321495 Cl\n0.333921 0.946286 0.176991 Cl\n0.989019 0.181623 0.545315 Cl\n0.510981 0.318376 0.045315 Cl\n0.009748 0.681849 0.043595 Cl\n0.490251 0.818150 0.543595 Cl\n-0.009749 0.318151 -0.043595 Cl\n0.509749 0.181849 0.456405 Cl\n0.833921 0.446286 0.323009 Cl\n0.666079 0.053714 0.823009 Cl\n0.166079 0.553714 0.676991 Cl\n0.489019 0.681623 0.954685 Cl\n0.010981 0.818376 0.454685 Cl\n",
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"elements": [
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],
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{
"id": "jvasp-97325",
"created_at": "2022-09-04T14:35:58.387474Z",
"updated_at": "2022-09-04T14:35:58.387483Z",
"structure_string": "Na4 Zn2 Ge2\n1.0\n5.488171 -0.000000 0.000000\n0.000000 5.739157 -1.229091\n-0.000000 0.009460 5.869284\nNa Zn Ge\n4 2 2\ndirect\n0.750000 0.032752 0.680335 Na\n0.250000 0.967249 0.319665 Na\n0.250000 0.319665 0.967248 Na\n0.750000 0.680336 0.032752 Na\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n0.750000 0.225424 0.225424 Ge\n0.250000 0.774577 0.774576 Ge\n",
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"formula_full": "Na4 Zn2 Ge2",
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"spacegroup": 63
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{
"id": "jvasp-69091",
"created_at": "2022-09-04T14:36:01.702753Z",
"updated_at": "2022-09-04T14:36:01.702774Z",
"structure_string": "Ba2 Cd1 Bi1\n1.0\n-0.000000 4.260169 4.260169\n4.260169 0.000000 4.260169\n4.260169 4.260169 0.000000\nBa Cd Bi\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
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{
"id": "jvasp-92936",
"created_at": "2022-09-04T14:35:45.323234Z",
"updated_at": "2022-09-04T14:35:45.323252Z",
"structure_string": "Rb1 Mg6 Ga1\n1.0\n6.814391 0.739512 0.000000\n-2.766759 6.271191 0.000000\n0.000000 0.000000 4.880536\nRb Mg Ga\n1 6 1\ndirect\n0.122234 0.377766 0.250000 Rb\n0.200379 0.903740 0.250000 Mg\n0.596259 0.299621 0.250000 Mg\n0.691262 0.808737 0.250000 Mg\n0.399978 0.724853 0.750001 Mg\n0.775147 0.100021 0.750001 Mg\n0.861905 0.638095 0.750001 Mg\n0.352833 0.147166 0.750001 Ga\n",
"nsites": 8,
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],
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{
"id": "jvasp-85870",
"created_at": "2022-09-04T14:35:43.475959Z",
"updated_at": "2022-09-04T14:35:43.475979Z",
"structure_string": "La1 Zn5\n1.0\n5.478040 -0.000000 0.000000\n-2.739020 4.744122 0.000000\n0.000000 -0.000000 4.261491\nLa Zn\n1 5\ndirect\n0.000000 0.000000 0.000000 La\n-0.000000 0.500000 0.500000 Zn\n0.333333 0.666667 0.000000 Zn\n0.666667 0.333333 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 6,
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},
{
"id": "jvasp-21525",
"created_at": "2022-09-04T14:35:53.982430Z",
"updated_at": "2022-09-04T14:35:53.982450Z",
"structure_string": "Rb6 Zn6 F18\n1.0\n2.971187 -5.146247 -0.000000\n2.971187 5.146247 0.000000\n0.000000 -0.000000 14.572833\nRb Zn F\n6 6 18\ndirect\n0.333333 0.666668 0.595900 Rb\n0.666668 0.333333 0.095900 Rb\n0.666668 0.333333 0.404100 Rb\n0.333333 0.666668 0.904100 Rb\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.333333 0.666668 0.153662 Zn\n0.666668 0.333333 0.846338 Zn\n0.333333 0.666668 0.346338 Zn\n0.666668 0.333333 0.653662 Zn\n0.669034 0.834517 0.419894 F\n0.969425 0.484712 0.750000 F\n0.030576 0.515289 0.250000 F\n0.484712 0.969425 0.250000 F\n0.515289 0.484712 0.750000 F\n0.834517 0.165484 0.919894 F\n0.165484 0.330967 0.419894 F\n0.330967 0.165484 0.919894 F\n0.330967 0.165484 0.580106 F\n0.165484 0.834517 0.080106 F\n0.165484 0.330967 0.080106 F\n0.165484 0.834517 0.419894 F\n0.669034 0.834517 0.080106 F\n0.515289 0.030576 0.750000 F\n0.834517 0.165484 0.580106 F\n0.834517 0.669034 0.580106 F\n0.834517 0.669034 0.919894 F\n0.484712 0.515289 0.250000 F\n",
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{
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"created_at": "2022-09-04T14:37:32.271668Z",
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"structure_string": "Bi4 F12\n1.0\n4.459268 0.000000 0.000000\n0.000000 6.773636 0.000000\n0.000000 0.000000 7.207009\nBi F\n4 12\ndirect\n0.935806 0.630787 0.750000 Bi\n0.435805 0.869214 0.250000 Bi\n0.564195 0.130786 0.750000 Bi\n0.064195 0.369214 0.250000 Bi\n0.394287 0.164507 0.433775 F\n0.894287 0.335494 0.566225 F\n0.105713 0.664507 0.066225 F\n0.605713 0.835494 0.933775 F\n0.574380 0.517121 0.250000 F\n0.074380 0.982880 0.750000 F\n0.925621 0.017121 0.250000 F\n0.425620 0.482880 0.750000 F\n0.394287 0.164507 0.066225 F\n0.894287 0.335494 0.933775 F\n0.105713 0.664507 0.433775 F\n0.605713 0.835494 0.566225 F\n",
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