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{
"id": "jvasp-106521",
"created_at": "2022-09-04T14:36:56.912201Z",
"updated_at": "2022-09-04T14:36:56.912218Z",
"structure_string": "Ga3 As1\n1.0\n4.314565 0.000000 0.000000\n0.000000 4.314565 0.000000\n0.000000 -0.000000 4.314565\nGa As\n3 1\ndirect\n-0.000000 0.499999 0.499999 Ga\n0.499999 0.000000 0.499999 Ga\n0.499999 0.499999 -0.000000 Ga\n0.000000 0.000000 0.000000 As\n",
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{
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"structure_string": "Ba6 Pr2\n1.0\n8.370566 -0.000000 0.000000\n-4.185283 7.249123 0.000000\n-0.000000 -0.000000 6.671152\nBa Pr\n6 2\ndirect\n0.171535 0.343069 0.250000 Ba\n0.656931 0.828465 0.250000 Ba\n0.171535 0.828465 0.250000 Ba\n0.828466 0.656931 0.750000 Ba\n0.343069 0.171535 0.750000 Ba\n0.828466 0.171535 0.750000 Ba\n0.333334 0.666666 0.750000 Pr\n0.666667 0.333333 0.250000 Pr\n",
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{
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"structure_string": "Na1 Cd1 O2\n1.0\n2.890896 1.669460 0.050365\n-2.890896 1.669460 -0.050365\n-2.021734 0.000000 5.397600\nNa Cd O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Cd\n0.242973 0.757027 0.728742 O\n0.757028 0.242972 0.271258 O\n",
"nsites": 4,
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{
"id": "jvasp-78441",
"created_at": "2022-09-04T14:37:14.646638Z",
"updated_at": "2022-09-04T14:37:14.646672Z",
"structure_string": "Cd1 Se1\n1.0\n-3.083946 -3.083946 0.000000\n-3.083946 -0.000000 -3.083946\n-0.000000 -3.083946 -3.083946\nCd Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750001 0.750001 0.750001 Se\n",
"nsites": 2,
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"elements": [
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],
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"volume": 58.66111187981335,
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"formula_full": "Cd1 Se1",
"formula_reduced": "CdSe",
"formula_anonymous": "AB",
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"spacegroup": 216
},
{
"id": "jvasp-1192",
"created_at": "2022-09-04T14:35:56.740946Z",
"updated_at": "2022-09-04T14:35:56.740975Z",
"structure_string": "Cd1 Se1\n1.0\n3.777046 -0.000000 2.180679\n1.259016 3.561033 2.180679\n0.000000 0.000000 4.361357\nCd Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250001 0.250000 0.250000 Se\n",
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"elements": [
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"spacegroup": 216
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{
"id": "jvasp-9479",
"created_at": "2022-09-04T14:38:30.645508Z",
"updated_at": "2022-09-04T14:38:30.645524Z",
"structure_string": "Zn2 Mo2 F10\n1.0\n5.377391 -0.313721 1.351612\n-1.488183 4.899091 1.283837\n0.709735 -0.767984 7.465366\nZn Mo F\n2 2 10\ndirect\n0.270662 0.477680 0.230871 Zn\n0.732794 0.520440 0.768486 Zn\n0.001742 -0.000937 -0.000327 Mo\n0.501747 -0.000931 0.499678 Mo\n0.140039 0.872421 0.744269 F\n0.863456 0.125714 0.255078 F\n0.681676 0.846536 0.663456 F\n0.902152 0.287796 0.860151 F\n0.342463 0.308973 0.963473 F\n0.686338 0.360218 0.550637 F\n0.661035 0.689153 0.035872 F\n0.317153 0.637936 0.448704 F\n0.101351 0.710338 0.139179 F\n0.321824 0.151621 0.335892 F\n",
"nsites": 14,
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{
"id": "jvasp-66214",
"created_at": "2022-09-04T14:35:52.219932Z",
"updated_at": "2022-09-04T14:35:52.219951Z",
"structure_string": "Ba1 Sn1 Bi1\n1.0\n-0.000000 3.991673 3.991673\n3.991673 -0.000000 3.991673\n3.991673 3.991673 -0.000000\nBa Sn Bi\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 3,
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{
"id": "jvasp-98965",
"created_at": "2022-09-04T14:36:18.851612Z",
"updated_at": "2022-09-04T14:36:18.851639Z",
"structure_string": "Ba2 Li2 Sb2\n1.0\n4.905607 0.000000 -0.000000\n-2.452804 4.248381 0.000000\n0.000000 0.000000 9.146511\nBa Li Sb\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666668 0.333333 0.750000 Li\n0.333334 0.666667 0.250000 Li\n0.666668 0.333333 0.250000 Sb\n0.333334 0.666667 0.750000 Sb\n",
"nsites": 6,
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"volume": 190.62140742950342,
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"formula_full": "Ba2 Li2 Sb2",
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"formula_anonymous": "ABC",
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"spacegroup": 194
},
{
"id": "jvasp-80888",
"created_at": "2022-09-04T14:37:15.904607Z",
"updated_at": "2022-09-04T14:37:15.904631Z",
"structure_string": "Li1 Ga2 Cu1\n1.0\n-8.758357 0.000000 -5.056640\n-8.360124 -0.044169 4.366880\n-5.685339 7.521266 -0.265983\nLi Ga Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.735992 0.000000 0.000000 Ga\n0.264008 0.000000 0.000000 Ga\n0.500000 0.000000 0.000000 Cu\n",
"nsites": 4,
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"volume": 606.7854987275699,
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"formula_full": "Li1 Ga2 Cu1",
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"spacegroup": 71
},
{
"id": "jvasp-3018",
"created_at": "2022-09-04T14:36:48.072053Z",
"updated_at": "2022-09-04T14:36:48.072080Z",
"structure_string": "Yb1 Zn2 P2\n1.0\n2.015311 -3.490621 0.000000\n2.015311 3.490621 0.000000\n0.000000 0.000000 6.741278\nYb Zn P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.666667 0.333333 0.361605 Zn\n0.333333 0.666667 0.638395 Zn\n0.666667 0.333333 0.743196 P\n0.333333 0.666667 0.256804 P\n",
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{
"id": "jvasp-25788",
"created_at": "2022-09-04T14:37:38.416250Z",
"updated_at": "2022-09-04T14:37:38.416270Z",
"structure_string": "As4 S4 Cl12 F24\n1.0\n7.705037 0.000000 0.000000\n0.000000 8.512965 0.000000\n0.000000 0.000000 12.061162\nAs S Cl F\n4 4 12 24\ndirect\n0.301974 0.532211 0.684597 As\n0.698026 0.032211 0.815402 As\n0.801975 0.967788 0.315402 As\n0.198026 0.467789 0.184598 As\n0.151793 0.021975 0.024572 S\n0.348207 0.978025 0.524572 S\n0.848207 0.521974 0.475428 S\n0.651793 0.478025 0.975428 S\n0.213745 0.174308 0.905822 Cl\n0.343632 0.183262 0.444221 Cl\n0.865386 0.492111 0.879981 Cl\n0.656368 0.683262 0.055778 Cl\n0.634614 0.507888 0.379981 Cl\n0.286255 0.825692 0.405823 Cl\n0.786255 0.674307 0.594177 Cl\n0.365386 0.007888 0.120018 Cl\n0.134614 0.992111 0.620018 Cl\n0.843633 0.316737 0.555778 Cl\n0.156368 0.816737 0.944221 Cl\n0.713746 0.325692 0.094177 Cl\n0.701497 0.148996 0.280562 F\n0.880219 0.133831 0.759785 F\n0.902586 0.958773 0.183578 F\n0.402585 0.541227 0.816421 F\n0.298503 0.648995 0.219438 F\n0.481666 0.430645 0.629357 F\n0.697102 0.972288 0.447128 F\n0.018334 0.569355 0.129357 F\n0.097415 0.458773 0.316422 F\n0.600570 0.215211 0.851174 F\n0.802898 0.027711 0.947127 F\n0.798503 0.851004 0.780562 F\n0.597415 0.041227 0.683578 F\n0.899430 0.784789 0.351174 F\n0.380219 0.366169 0.240215 F\n0.619781 0.866169 0.259785 F\n0.119781 0.633831 0.740215 F\n0.518334 0.930644 0.870643 F\n0.302898 0.472288 0.052872 F\n0.201497 0.351004 0.719438 F\n0.981667 0.069355 0.370643 F\n0.197102 0.527711 0.552872 F\n0.399430 0.715210 0.648825 F\n0.100570 0.284789 0.148825 F\n",
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{
"id": "jvasp-20124",
"created_at": "2022-09-04T14:38:18.802572Z",
"updated_at": "2022-09-04T14:38:18.802592Z",
"structure_string": "Mg4 Zn8\n1.0\n2.605606 -4.513042 0.000000\n2.605606 4.513042 -0.000000\n-0.000000 -0.000000 8.486185\nMg Zn\n4 8\ndirect\n0.333334 0.666668 0.063024 Mg\n0.666668 0.333334 0.563025 Mg\n0.666668 0.333334 0.936976 Mg\n0.333334 0.666668 0.436976 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.170317 0.340633 0.750000 Zn\n0.829684 0.170317 0.250000 Zn\n0.340633 0.170317 0.250000 Zn\n0.659369 0.829685 0.750000 Zn\n0.170317 0.829684 0.750000 Zn\n0.829685 0.659369 0.250000 Zn\n",
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