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{
"id": "jvasp-50424",
"created_at": "2022-09-04T14:37:16.665428Z",
"updated_at": "2022-09-04T14:37:16.665440Z",
"structure_string": "Ce2 Hf2 O8\n1.0\n-0.000001 5.285726 -0.000000\n2.642863 -2.642862 5.384071\n5.285726 0.000001 0.000000\nCe Hf O\n2 2 8\ndirect\n0.875001 0.250000 0.375000 Ce\n0.125000 0.750000 0.625000 Ce\n0.625001 0.750000 0.125000 Hf\n0.375000 0.250000 0.875001 Hf\n0.055641 0.043568 0.220278 O\n0.279723 0.543568 0.012073 O\n0.763847 0.543568 0.444359 O\n0.512073 0.956432 0.263847 O\n0.487927 0.043568 0.736154 O\n0.236153 0.456432 0.555641 O\n0.720278 0.456432 0.987928 O\n0.944360 0.956432 0.779723 O\n",
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"structure_string": "Te4 Mo1 W3 Se4\n1.0\n3.442426 0.000000 -0.000000\n-1.721213 2.981226 0.000015\n0.000005 0.000134 36.540506\nTe Mo W Se\n4 1 3 4\ndirect\n0.333330 0.666659 0.337877 Te\n0.666695 0.333387 0.036940 Te\n0.666679 0.333355 0.138694 Te\n0.333333 0.666668 0.235564 Te\n0.333354 0.666705 0.087769 Mo\n0.333327 0.666653 0.475157 W\n0.666666 0.333330 0.286733 W\n0.666657 0.333314 0.653258 W\n0.333332 0.666664 0.698161 Se\n0.666668 0.333333 0.430189 Se\n0.666651 0.333300 0.520098 Se\n0.333316 0.666634 0.608308 Se\n",
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{
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"created_at": "2022-09-04T14:37:16.503927Z",
"updated_at": "2022-09-04T14:37:16.503960Z",
"structure_string": "Cu6 Se6\n1.0\n2.016031 -3.491866 0.000000\n2.016031 3.491866 -0.000000\n-0.000000 0.000000 17.523270\nCu Se\n6 6\ndirect\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.892508 Cu\n0.666667 0.333333 0.392508 Cu\n0.666667 0.333333 0.107492 Cu\n0.333333 0.666667 0.607492 Cu\n0.333333 0.666667 0.750000 Se\n0.666667 0.333333 0.250000 Se\n0.000000 0.000000 0.930544 Se\n0.000000 0.000000 0.430544 Se\n0.000000 0.000000 0.069456 Se\n0.000000 0.000000 0.569456 Se\n",
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"formula_full": "Cu6 Se6",
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{
"id": "jvasp-29042",
"created_at": "2022-09-04T14:37:06.112708Z",
"updated_at": "2022-09-04T14:37:06.112727Z",
"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n3.399607 -0.000000 -0.000000\n-1.699803 2.944140 -0.000001\n-0.000000 -0.000023 38.681609\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.666647 0.333291 0.045549 Te\n0.666649 0.333294 0.421190 Te\n0.666649 0.333295 0.142391 Te\n0.666647 0.333290 0.518195 Te\n0.333313 0.666624 0.093907 Mo\n0.333313 0.666625 0.469672 Mo\n0.666687 0.333372 0.281792 W\n0.666691 0.333381 0.657515 W\n0.333354 0.666705 0.324611 Se\n0.333350 0.666702 0.238975 Se\n0.333358 0.666716 0.696415 S\n0.333355 0.666711 0.618536 S\n",
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"elements": [
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"formula_full": "Te4 Mo2 W2 Se2 S2",
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{
"id": "jvasp-1106",
"created_at": "2022-09-04T14:37:15.587169Z",
"updated_at": "2022-09-04T14:37:15.587196Z",
"structure_string": "Ag8 Te4\n1.0\n0.000000 8.001340 0.001150\n4.507263 0.000000 0.000000\n0.000000 -4.829759 -7.711779\nAg Te\n8 4\ndirect\n0.034015 0.117383 0.659399 Ag\n0.965985 0.617383 0.840601 Ag\n0.965985 0.882616 0.340601 Ag\n0.034015 0.382617 0.159399 Ag\n0.333235 0.854434 0.347168 Ag\n0.666765 0.354435 0.152832 Ag\n0.666765 0.145565 0.652832 Ag\n0.333235 0.645565 0.847168 Ag\n0.275814 0.141673 0.035321 Te\n0.724186 0.641673 0.464680 Te\n0.724186 0.858326 0.964680 Te\n0.275814 0.358327 0.535321 Te\n",
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{
"id": "jvasp-10034",
"created_at": "2022-09-04T14:37:10.529304Z",
"updated_at": "2022-09-04T14:37:10.529330Z",
"structure_string": "Sb4 O8\n1.0\n5.983604 -0.741250 0.599312\n2.349861 5.552577 0.599312\n3.267158 1.886295 5.335245\nSb O\n4 8\ndirect\n0.096564 0.096563 0.903437 Sb\n0.153436 0.153436 0.346564 Sb\n0.625000 0.625000 0.125000 Sb\n0.625000 0.625000 0.625000 Sb\n0.347803 0.347803 0.389127 O\n0.442385 0.800030 0.378792 O\n0.347803 0.347802 0.915268 O\n0.800030 0.442385 0.378792 O\n0.449970 0.807614 0.871208 O\n0.807615 0.449969 0.871208 O\n0.902196 0.902197 0.334733 O\n0.902196 0.902196 0.860874 O\n",
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"volume": 170.12206466878794,
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"spacegroup": 74
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{
"id": "jvasp-12964",
"created_at": "2022-09-04T14:37:16.574776Z",
"updated_at": "2022-09-04T14:37:16.574798Z",
"structure_string": "Cd4 As6 Br2\n1.0\n6.299552 -0.018091 -0.846262\n-0.944463 6.228377 -0.846262\n-0.011316 -0.013124 8.116444\nCd As Br\n4 6 2\ndirect\n0.907334 0.607848 0.697577 Cd\n0.392152 0.092667 0.802422 Cd\n0.607847 0.907334 0.197578 Cd\n0.092666 0.392153 0.302423 Cd\n0.919218 0.821745 0.023535 As\n0.178255 0.080782 0.476465 As\n0.080782 0.178256 0.976465 As\n0.789680 0.210320 0.750000 As\n0.210319 0.789681 0.250000 As\n0.821745 0.919219 0.523535 As\n0.365034 0.634966 0.750000 Br\n0.634965 0.365035 0.250000 Br\n",
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{
"id": "jvasp-9083",
"created_at": "2022-09-04T14:37:16.521113Z",
"updated_at": "2022-09-04T14:37:16.521140Z",
"structure_string": "Sb8 Ir4\n1.0\n0.000000 6.709150 -0.007532\n6.651956 0.000000 0.000000\n0.000000 -2.863545 -6.173406\nSb Ir\n8 4\ndirect\n0.149165 0.134859 0.877330 Sb\n0.850834 0.634859 0.622671 Sb\n0.850835 0.865142 0.122670 Sb\n0.149165 0.365141 0.377329 Sb\n0.344376 0.637367 0.176999 Sb\n0.655624 0.137367 0.323001 Sb\n0.655624 0.362634 0.823002 Sb\n0.344376 0.862634 0.676999 Sb\n0.270948 0.499066 0.789307 Ir\n0.729051 0.999066 0.710694 Ir\n0.729051 0.500935 0.210694 Ir\n0.270948 0.000935 0.289306 Ir\n",
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{
"id": "jvasp-12948",
"created_at": "2022-09-04T14:37:04.045566Z",
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"structure_string": "K4 Rb4 S4\n1.0\n4.983263 0.000000 0.000000\n-0.000000 8.175303 0.000000\n0.000000 0.000000 9.416222\nK Rb S\n4 4 4\ndirect\n0.750000 0.648923 0.424856 K\n0.250000 0.351076 0.575144 K\n0.750000 0.148924 0.075144 K\n0.250000 0.851076 0.924855 K\n0.250000 0.978164 0.319830 Rb\n0.750000 0.021836 0.680170 Rb\n0.250000 0.478164 0.180170 Rb\n0.750000 0.521836 0.819830 Rb\n0.250000 0.736798 0.608830 S\n0.750000 0.263202 0.391170 S\n0.250000 0.236798 0.891170 S\n0.750000 0.763202 0.108830 S\n",
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{
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"created_at": "2022-09-04T14:37:15.653602Z",
"updated_at": "2022-09-04T14:37:15.653635Z",
"structure_string": "Zr4 Se4 O4\n1.0\n5.863719 0.000000 -0.000000\n-0.000000 5.863719 -0.000000\n0.000000 0.000000 5.863719\nZr Se O\n4 4 4\ndirect\n0.077560 0.077560 0.077560 Zr\n0.422440 0.922440 0.577560 Zr\n0.577560 0.422440 0.922440 Zr\n0.922440 0.577560 0.422440 Zr\n0.157919 0.657919 0.842081 Se\n0.342081 0.342081 0.342081 Se\n0.657919 0.842081 0.157919 Se\n0.842081 0.157919 0.657919 Se\n0.150697 0.849303 0.349303 O\n0.349303 0.150697 0.849303 O\n0.650697 0.650697 0.650697 O\n0.849303 0.349303 0.150697 O\n",
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{
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"created_at": "2022-09-04T14:37:16.553969Z",
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"structure_string": "Na4 Li4 Se4\n1.0\n4.238755 -0.000000 0.000000\n-0.000000 7.147529 0.000000\n0.000000 0.000000 7.702213\nNa Li Se\n4 4 4\ndirect\n0.749999 0.485616 0.682608 Na\n0.250000 0.514384 0.317392 Na\n0.749999 0.985616 0.817392 Na\n0.250000 0.014384 0.182608 Na\n0.749999 0.357036 0.071384 Li\n0.250000 0.642964 0.928616 Li\n0.749999 0.857036 0.428616 Li\n0.250000 0.142964 0.571384 Li\n0.749999 0.721775 0.107564 Se\n0.250000 0.278225 0.892436 Se\n0.749999 0.221775 0.392436 Se\n0.250000 0.778225 0.607563 Se\n",
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{
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}