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{
"id": "jvasp-11013",
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"updated_at": "2022-09-04T14:37:18.425851Z",
"structure_string": "Ca2 Ti4 O10\n1.0\n3.632584 0.000000 0.000000\n0.000000 4.897615 0.000000\n0.000000 0.000000 11.653018\nCa Ti O\n2 4 10\ndirect\n0.000000 0.144200 0.000000 Ca\n0.500000 0.855801 0.500000 Ca\n0.500000 0.611495 0.847313 Ti\n0.000000 0.388506 0.652687 Ti\n0.000000 0.388506 0.347313 Ti\n0.500000 0.611495 0.152687 Ti\n0.000000 0.531437 0.500000 O\n0.500000 0.468564 0.000000 O\n0.000000 0.470922 0.826191 O\n0.500000 0.529079 0.673809 O\n0.000000 0.470922 0.173809 O\n0.500000 0.529079 0.326191 O\n0.500000 0.957932 0.123927 O\n0.000000 0.042069 0.376073 O\n0.000000 0.042069 0.623927 O\n0.500000 0.957932 0.876073 O\n",
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{
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"updated_at": "2022-09-04T14:37:18.444686Z",
"structure_string": "Pm1 In1 Pt2\n1.0\n-0.000001 3.457522 3.457530\n3.457593 -0.000040 3.457568\n3.457531 3.457499 0.000021\nPm In Pt\n1 1 2\ndirect\n0.750003 0.749998 0.750001 Pm\n0.249999 0.250003 0.250000 In\n0.000000 0.000000 0.999999 Pt\n0.500000 0.499998 0.500002 Pt\n",
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{
"id": "jvasp-51012",
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"updated_at": "2022-09-04T14:37:18.445676Z",
"structure_string": "H4 W4 O14\n1.0\n6.711268 0.062408 0.013595\n-2.785655 6.372483 -0.204106\n-0.075884 -3.139976 6.525446\nH W O\n4 4 14\ndirect\n0.613690 0.599677 -0.011726 H\n0.352681 0.885065 0.547458 H\n0.377502 0.070848 0.068712 H\n0.859614 0.356705 0.759115 H\n0.966058 0.557956 0.509985 W\n0.068214 0.093270 0.570125 W\n0.470283 0.504955 0.378672 W\n0.938933 0.949841 0.013846 W\n0.324481 0.311719 0.583739 O\n0.740443 0.049044 0.011879 O\n0.482485 0.751502 0.602854 O\n0.942996 0.984298 0.283589 O\n0.908381 0.299014 0.626885 O\n0.281918 0.136390 0.147825 O\n0.067271 0.123596 0.833037 O\n0.071949 0.748384 0.788941 O\n0.665006 0.350330 0.394109 O\n0.825619 0.739935 0.471622 O\n0.200296 0.859750 0.492935 O\n0.738184 0.625597 0.911541 O\n0.481313 0.579182 0.175783 O\n0.122693 0.422928 0.339064 O\n",
"nsites": 22,
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{
"id": "jvasp-81847",
"created_at": "2022-09-04T14:37:18.481134Z",
"updated_at": "2022-09-04T14:37:18.481160Z",
"structure_string": "Na1 Cd2 Ag1\n1.0\n-11.680462 0.880611 -5.305684\n-7.654833 -0.799369 -0.658990\n-6.192436 3.336918 -3.191937\nNa Cd Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.640000 0.073469 0.073469 Cd\n0.359999 -0.073468 -0.073468 Cd\n0.500000 0.000001 0.000000 Ag\n",
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{
"id": "jvasp-85229",
"created_at": "2022-09-04T14:37:18.486019Z",
"updated_at": "2022-09-04T14:37:18.486042Z",
"structure_string": "In5 B4 Ir9\n1.0\n5.653745 0.000000 0.000000\n-2.826872 4.896286 -0.000000\n-0.000000 0.000000 10.400353\nIn B Ir\n5 4 9\ndirect\n0.000000 0.000000 0.000000 In\n0.666667 0.333333 0.500000 In\n0.000000 0.000000 0.656400 In\n0.000000 0.000000 0.343600 In\n0.333333 0.666668 0.500000 In\n0.666667 0.333333 0.853049 B\n0.333333 0.666668 0.146951 B\n0.666667 0.333333 0.146951 B\n0.333333 0.666668 0.853049 B\n0.475922 0.000000 0.000000 Ir\n0.000000 0.473032 0.275451 Ir\n0.473031 0.000000 0.724549 Ir\n0.473031 0.000000 0.275451 Ir\n0.000000 0.475922 0.000000 Ir\n0.526968 0.526969 0.724549 Ir\n0.000000 0.473032 0.724549 Ir\n0.524078 0.524078 0.000000 Ir\n0.526968 0.526969 0.275451 Ir\n",
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"elements": [
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{
"id": "jvasp-10143",
"created_at": "2022-09-04T14:37:18.498658Z",
"updated_at": "2022-09-04T14:37:18.498687Z",
"structure_string": "Nb4 N4 O4\n1.0\n0.000000 5.040371 -0.007564\n5.101911 0.000000 0.000000\n0.000000 -0.890620 -5.189559\nNb N O\n4 4 4\ndirect\n0.706717 0.547607 0.280478 Nb\n0.293283 0.047607 0.219521 Nb\n0.293283 0.452393 0.719521 Nb\n0.706717 0.952393 0.780479 Nb\n0.557570 0.254885 0.023548 N\n0.442430 0.754884 0.476452 N\n0.442430 0.745115 0.976452 N\n0.557570 0.245115 0.523548 N\n0.937877 0.675983 0.651614 O\n0.062123 0.175983 0.848386 O\n0.062123 0.324017 0.348386 O\n0.937877 0.824017 0.151614 O\n",
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"density": 6.115998899374346,
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"volume": 133.48660009312314,
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"formula_full": "Nb4 N4 O4",
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"spacegroup": 14
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{
"id": "jvasp-79744",
"created_at": "2022-09-04T14:37:18.506956Z",
"updated_at": "2022-09-04T14:37:18.506975Z",
"structure_string": "Ca2 P1 Au1\n1.0\n-9.308445 0.000034 -5.374176\n-9.955187 -0.010635 6.494355\n-6.416216 9.999084 0.364679\nCa P Au\n2 1 1\ndirect\n0.767871 0.000001 0.000001 Ca\n0.232131 0.999999 0.999998 Ca\n0.000000 0.000000 0.000000 P\n0.500000 0.000000 -0.000000 Au\n",
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{
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"structure_string": "Li1 Hg2 Pt1\n1.0\n-11.957693 0.341888 -6.427200\n-7.209034 -0.755132 -1.132457\n-5.935830 2.762683 -3.312606\nLi Hg Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.218563 0.461141 0.460736 Hg\n0.781438 0.538856 -0.460735 Hg\n0.500002 -0.000002 0.999997 Pt\n",
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{
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"structure_string": "Yb2 Ag1 Pb1\n1.0\n-0.000000 3.716121 3.716121\n3.716121 -0.000000 3.716121\n3.716121 3.716121 0.000000\nYb Ag Pb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.499999 0.499999 0.499999 Yb\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Pb\n",
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{
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"structure_string": "Mg2 Ti4 O10\n1.0\n3.725505 -0.000000 -0.000000\n-1.862752 5.032454 0.000000\n0.000000 -0.000000 11.389976\nMg Ti O\n2 4 10\ndirect\n0.894902 0.789799 0.750000 Mg\n0.105100 0.210201 0.250000 Mg\n0.201509 0.403016 0.597976 Ti\n0.798493 0.596984 0.402024 Ti\n0.798493 0.596984 0.097976 Ti\n0.201509 0.403016 0.902025 Ti\n0.701286 0.402570 0.250000 O\n0.298716 0.597430 0.750000 O\n0.239303 0.478603 0.077597 O\n0.760701 0.521397 0.922404 O\n0.760701 0.521397 0.577597 O\n0.239303 0.478603 0.422403 O\n0.036593 0.073185 0.628300 O\n0.963408 0.926813 0.371700 O\n0.036593 0.073185 0.871700 O\n0.963408 0.926813 0.128301 O\n",
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{
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"structure_string": "Y2 Mg1 Ga1\n1.0\n-11.443634 2.459060 -2.509282\n-7.850643 0.449554 0.980096\n-6.505104 4.316937 -1.401174\nY Mg Ga\n2 1 1\ndirect\n0.724990 0.015818 0.015735 Y\n0.275009 -0.015817 -0.015734 Y\n0.000001 -0.000001 -0.000001 Mg\n0.499998 0.000001 0.000001 Ga\n",
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}