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{
"id": "jvasp-107754",
"created_at": "2022-09-04T14:36:18.037503Z",
"updated_at": "2022-09-04T14:36:18.037526Z",
"structure_string": "Ir1 Os1\n1.0\n2.765165 -0.000000 0.000000\n-1.382583 2.394703 0.000000\n0.000000 0.000000 4.398901\nIr Os\n1 1\ndirect\n0.666666 0.333333 0.500000 Ir\n0.333333 0.666666 -0.000000 Os\n",
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{
"id": "jvasp-20099",
"created_at": "2022-09-04T14:36:32.670131Z",
"updated_at": "2022-09-04T14:36:32.670152Z",
"structure_string": "Ga1 Sb1\n1.0\n3.793682 -0.000000 2.190283\n1.264561 3.576718 2.190283\n0.000000 0.000000 4.380567\nGa Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Sb\n",
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{
"id": "jvasp-98198",
"created_at": "2022-09-04T14:36:17.190018Z",
"updated_at": "2022-09-04T14:36:17.190051Z",
"structure_string": "Cd9 Au9\n1.0\n8.268347 0.000001 -0.000000\n-4.134175 7.160598 -0.000000\n0.000000 0.000000 5.903079\nCd Au\n9 9\ndirect\n0.333358 0.314415 0.213086 Cd\n0.333334 0.666667 0.646198 Cd\n0.666667 0.333333 0.500359 Cd\n0.333339 0.980062 0.914413 Cd\n0.000000 0.000000 0.500364 Cd\n0.646724 0.666662 0.914413 Cd\n0.685585 0.018942 0.213086 Cd\n0.981059 0.666643 0.213086 Cd\n0.019939 0.353276 0.914413 Cd\n0.333334 0.666667 0.153716 Au\n0.333305 0.308503 0.712811 Au\n0.975199 0.666695 0.712811 Au\n0.691497 0.024802 0.712811 Au\n0.644769 0.666684 0.416104 Au\n0.021915 0.355231 0.416104 Au\n0.333317 0.978085 0.416104 Au\n0.666667 0.333333 0.994043 Au\n0.000000 0.000000 0.994084 Au\n",
"nsites": 18,
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"elements": [
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"density_atomic": 0.05150221316597673,
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"formula_full": "Cd9 Au9",
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{
"id": "jvasp-14864",
"created_at": "2022-09-04T14:36:10.024420Z",
"updated_at": "2022-09-04T14:36:10.024454Z",
"structure_string": "Y1 Sb1\n1.0\n3.792957 0.000000 2.189865\n1.264319 3.576034 2.189865\n-0.000000 -0.000000 4.379729\nY Sb\n1 1\ndirect\n0.500001 0.499999 0.500001 Y\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 2,
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"elements": [
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"density": 5.88865946134662,
"density_atomic": 0.03366690536334213,
"volume": 59.40551940891127,
"volume_molar": 17.887419990068782,
"formula_full": "Y1 Sb1",
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},
{
"id": "jvasp-18439",
"created_at": "2022-09-04T14:36:17.194743Z",
"updated_at": "2022-09-04T14:36:17.194777Z",
"structure_string": "Zr2 Cl2\n1.0\n3.438246 -0.000000 -0.000000\n-1.719122 2.906626 -0.646714\n-0.000000 -0.001586 9.119750\nZr Cl\n2 2\ndirect\n0.622090 0.244178 0.866080 Zr\n0.377912 0.755822 0.133920 Zr\n0.890162 0.780320 0.670069 Cl\n0.109840 0.219680 0.329931 Cl\n",
"nsites": 4,
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"elements": [
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"Cl"
],
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"density": 4.616200186091749,
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"volume": 91.13647539526673,
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"formula_full": "Zr2 Cl2",
"formula_reduced": "ZrCl",
"formula_anonymous": "AB",
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"spacegroup": 166
},
{
"id": "jvasp-14881",
"created_at": "2022-09-04T14:36:11.322746Z",
"updated_at": "2022-09-04T14:36:11.322767Z",
"structure_string": "La1 N1\n1.0\n3.246469 0.000000 1.874349\n1.082156 3.060800 1.874349\n-0.000000 -0.000000 3.748699\nLa N\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500001 0.500000 0.500000 N\n",
"nsites": 2,
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"elements": [
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],
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"density": 6.816545935621197,
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"volume": 37.25004341519792,
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"formula_full": "La1 N1",
"formula_reduced": "LaN",
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"spacegroup": 225
},
{
"id": "jvasp-14933",
"created_at": "2022-09-04T14:36:10.121212Z",
"updated_at": "2022-09-04T14:36:10.121239Z",
"structure_string": "Zr2 S2\n1.0\n3.621786 0.000000 0.000000\n0.000000 3.621786 -0.000000\n0.000000 0.000000 5.518341\nZr S\n2 2\ndirect\n0.500001 0.000000 0.810708 Zr\n0.000000 0.500001 0.189291 Zr\n0.500001 0.000000 0.296027 S\n0.000000 0.500001 0.703973 S\n",
"nsites": 4,
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"elements": [
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"S"
],
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"density": 5.65651988445274,
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"volume": 72.3859210836503,
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"formula_full": "Zr2 S2",
"formula_reduced": "ZrS",
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},
{
"id": "jvasp-18712",
"created_at": "2022-09-04T14:36:19.840622Z",
"updated_at": "2022-09-04T14:36:19.840656Z",
"structure_string": "Zr4 Ga4\n1.0\n3.820198 0.000000 -0.705783\n-0.130394 3.817971 -0.705783\n-0.015198 -0.015726 10.609444\nZr Ga\n4 4\ndirect\n0.321780 0.571779 0.143558 Zr\n0.071780 0.821778 0.643557 Zr\n0.678221 0.428220 0.856443 Zr\n0.928221 0.178220 0.356443 Zr\n0.459195 0.709194 0.418389 Ga\n0.209195 0.959193 0.918388 Ga\n0.540806 0.290805 0.581611 Ga\n0.790806 0.040806 0.081612 Ga\n",
"nsites": 8,
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"density": 6.912241724289381,
"density_atomic": 0.05172695688046498,
"volume": 154.65823784080465,
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"formula_full": "Zr4 Ga4",
"formula_reduced": "ZrGa",
"formula_anonymous": "AB",
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"spacegroup": 141
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{
"id": "jvasp-90406",
"created_at": "2022-09-04T14:36:10.161531Z",
"updated_at": "2022-09-04T14:36:10.161558Z",
"structure_string": "Fe4 Se4\n1.0\n0.000000 0.000000 -3.812893\n0.000000 -5.058501 0.000000\n-6.604588 0.000000 0.000000\nFe Se\n4 4\ndirect\n0.749999 0.499941 0.749911 Fe\n0.749999 -0.000059 0.750089 Fe\n0.250000 0.500059 0.250089 Fe\n0.250000 0.000059 0.249911 Fe\n0.749999 0.250109 0.083331 Se\n0.749999 0.750109 0.416669 Se\n0.250000 0.749891 0.916670 Se\n0.250000 0.249891 0.583331 Se\n",
"nsites": 8,
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"formula_full": "Fe4 Se4",
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"spacegroup": 194
},
{
"id": "jvasp-106108",
"created_at": "2022-09-04T14:36:19.928267Z",
"updated_at": "2022-09-04T14:36:19.928299Z",
"structure_string": "Cd1 Ag1\n1.0\n3.058762 0.077976 0.000000\n-1.595730 2.610699 0.000000\n0.000000 0.000000 4.761701\nCd Ag\n1 1\ndirect\n0.333251 0.666750 0.500000 Cd\n0.666750 0.333252 0.000000 Ag\n",
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"density": 9.472029990246773,
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},
{
"id": "jvasp-20092",
"created_at": "2022-09-04T14:36:16.956402Z",
"updated_at": "2022-09-04T14:36:16.956417Z",
"structure_string": "Cd1 O1\n1.0\n2.912542 -0.000000 1.681557\n0.970847 2.745971 1.681557\n-0.000000 -0.000000 3.363113\nCd O\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 O\n",
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{
"id": "jvasp-18408",
"created_at": "2022-09-04T14:36:11.493609Z",
"updated_at": "2022-09-04T14:36:11.493628Z",
"structure_string": "Cr2 H2\n1.0\n1.373859 -2.379595 -0.000000\n1.373859 2.379595 -0.000000\n0.000000 0.000000 4.534850\nCr H\n2 2\ndirect\n0.666668 0.333333 0.497285 Cr\n0.333333 0.666668 0.997285 Cr\n0.666668 0.333333 0.127715 H\n0.333333 0.666668 0.627715 H\n",
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}