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{
"id": "jvasp-109764",
"created_at": "2022-09-04T14:38:28.284399Z",
"updated_at": "2022-09-04T14:38:28.284424Z",
"structure_string": "Cu2 Sn1 Se3\n1.0\n5.223229 -0.015011 -4.735499\n-0.518231 3.900349 -5.850300\n-0.015128 0.015011 7.050308\nCu Sn Se\n2 1 3\ndirect\n0.839587 0.828997 0.010591 Cu\n0.181593 0.171004 0.010591 Cu\n0.481377 0.500000 0.981378 Sn\n0.052787 0.321127 0.731660 Se\n0.410533 0.678873 0.731660 Se\n0.784119 -0.000000 0.784119 Se\n",
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{
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"structure_string": "Dy1 Cd2\n1.0\n2.472769 -4.282962 0.000000\n2.472769 4.282962 -0.000000\n-0.000000 0.000000 3.394278\nDy Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.333333 0.666667 0.500000 Cd\n0.666667 0.333333 0.500000 Cd\n",
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{
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"structure_string": "K2 Ag6 Se4\n1.0\n4.381087 0.000000 -0.000000\n-2.190544 7.474594 -3.529443\n-0.000000 0.059633 8.754183\nK Ag Se\n2 6 4\ndirect\n0.864270 0.728537 0.952562 K\n0.135731 0.271462 0.047438 K\n0.941188 0.882373 0.595214 Ag\n0.058814 0.117626 0.404786 Ag\n0.311691 0.623382 0.569414 Ag\n0.688310 0.376617 0.430585 Ag\n0.405976 0.811949 0.352280 Ag\n0.594026 0.188050 0.647720 Ag\n0.515661 0.031320 0.205438 Se\n0.484340 0.968679 0.794561 Se\n0.795495 0.590989 0.279831 Se\n0.204506 0.409010 0.720169 Se\n",
"nsites": 12,
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"formula_full": "K2 Ag6 Se4",
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{
"id": "jvasp-96831",
"created_at": "2022-09-04T14:36:31.720365Z",
"updated_at": "2022-09-04T14:36:31.720381Z",
"structure_string": "Pr10 C4 Cl18\n1.0\n8.527577 0.014450 0.699914\n4.110144 7.563865 0.782627\n0.019377 -0.020308 11.902343\nPr C Cl\n10 4 18\ndirect\n0.132374 0.272123 0.271466 Pr\n0.769202 0.071717 0.257234 Pr\n0.793772 0.316371 0.507014 Pr\n0.206228 0.683628 0.492986 Pr\n0.603673 0.600717 0.216333 Pr\n0.396328 0.399282 0.783666 Pr\n0.230799 0.928282 0.742766 Pr\n0.898578 0.294933 0.993736 Pr\n0.101423 0.705066 0.006263 Pr\n0.867627 0.727876 0.728534 Pr\n0.141238 0.699660 0.810049 C\n0.172275 0.688738 0.690212 C\n0.858763 0.300340 0.189951 C\n0.827726 0.311261 0.309787 C\n0.838305 0.134735 0.743680 Cl\n0.822239 0.946356 0.495785 Cl\n0.500000 0.500000 -0.000000 Cl\n0.083673 0.338702 0.768508 Cl\n0.543424 0.677424 0.449113 Cl\n0.775607 0.041345 0.019951 Cl\n0.177762 0.053643 0.504215 Cl\n0.485899 0.984906 0.228364 Cl\n0.397330 0.409523 0.276341 Cl\n0.224393 0.958654 0.980049 Cl\n0.219271 0.330404 0.030788 Cl\n0.602670 0.590476 0.723659 Cl\n0.916328 0.661297 0.231492 Cl\n0.780730 0.669595 0.969212 Cl\n0.000000 0.500000 0.500000 Cl\n0.161696 0.865264 0.256320 Cl\n0.514102 0.015093 0.771635 Cl\n0.456577 0.322575 0.550887 Cl\n",
"nsites": 32,
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"elements": [
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"formula_full": "Pr10 C4 Cl18",
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{
"id": "jvasp-61967",
"created_at": "2022-09-04T14:35:56.462805Z",
"updated_at": "2022-09-04T14:35:56.462826Z",
"structure_string": "La2 Ge2 Au2\n1.0\n2.264312 -3.921904 0.000000\n2.264312 3.921904 -0.000000\n-0.000000 -0.000000 8.097140\nLa Ge Au\n2 2 2\ndirect\n0.000000 0.000000 0.751905 La\n0.000000 0.000000 0.251905 La\n0.666666 0.333333 0.973547 Ge\n0.333333 0.666666 0.473547 Ge\n0.666666 0.333333 0.517548 Au\n0.333333 0.666666 0.017548 Au\n",
"nsites": 6,
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"elements": [
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"volume": 143.81191552903852,
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"formula_full": "La2 Ge2 Au2",
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{
"id": "jvasp-56828",
"created_at": "2022-09-04T14:37:28.830263Z",
"updated_at": "2022-09-04T14:37:28.830288Z",
"structure_string": "K4 Mn4 Cl12\n1.0\n3.855680 0.000000 0.000000\n0.000000 8.708818 0.000000\n0.000000 0.000000 14.276347\nK Mn Cl\n4 4 12\ndirect\n0.750000 0.068710 0.675320 K\n0.250000 0.431290 0.175320 K\n0.250000 0.931290 0.324680 K\n0.750000 0.568710 0.824680 K\n0.250000 0.666622 0.556129 Mn\n0.250000 0.166621 0.943871 Mn\n0.750000 0.833379 0.056129 Mn\n0.750000 0.333379 0.443871 Mn\n0.250000 0.284810 0.791370 Cl\n0.750000 0.828878 0.493218 Cl\n0.750000 0.715190 0.208630 Cl\n0.250000 0.522326 0.398649 Cl\n0.750000 0.477674 0.601351 Cl\n0.250000 0.171123 0.506782 Cl\n0.750000 0.215190 0.291370 Cl\n0.750000 0.977674 0.898649 Cl\n0.750000 0.328878 0.006782 Cl\n0.250000 0.022326 0.101351 Cl\n0.250000 0.784810 0.708630 Cl\n0.250000 0.671123 0.993218 Cl\n",
"nsites": 20,
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"elements": [
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"density_atomic": 0.041720807257238215,
"volume": 479.3771097641013,
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"formula_full": "K4 Mn4 Cl12",
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"spacegroup": 62
},
{
"id": "jvasp-24653",
"created_at": "2022-09-04T14:37:07.810964Z",
"updated_at": "2022-09-04T14:37:07.810985Z",
"structure_string": "Al2 Cu2 Cl8\n1.0\n5.312741 -0.000000 0.000000\n0.000000 5.312741 0.000000\n-0.000000 -0.000000 10.190435\nAl Cu Cl\n2 2 8\ndirect\n0.500000 0.000000 0.250000 Al\n0.000000 0.500000 0.750000 Al\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.755225 0.269055 0.870499 Cl\n0.244775 0.730945 0.870499 Cl\n0.730945 0.244775 0.370499 Cl\n0.244775 0.269055 0.629502 Cl\n0.755225 0.730945 0.629502 Cl\n0.269055 0.244775 0.129501 Cl\n0.730945 0.755225 0.129501 Cl\n0.269055 0.755225 0.370499 Cl\n",
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"density_atomic": 0.04172066617143947,
"volume": 287.6272385174613,
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"formula_full": "Al2 Cu2 Cl8",
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{
"id": "jvasp-102285",
"created_at": "2022-09-04T14:36:36.600724Z",
"updated_at": "2022-09-04T14:36:36.600759Z",
"structure_string": "Lu1 Mg2 Sc1\n1.0\n4.449139 -0.000000 2.568712\n1.483046 4.194689 2.568712\n-0.000000 -0.000000 5.137424\nLu Mg Sc\n1 2 1\ndirect\n0.500000 0.500000 0.499999 Lu\n0.250000 0.250000 0.250000 Mg\n0.750001 0.750000 0.749999 Mg\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 4,
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"spacegroup": 225
},
{
"id": "jvasp-68923",
"created_at": "2022-09-04T14:36:07.884306Z",
"updated_at": "2022-09-04T14:36:07.884336Z",
"structure_string": "Be1 Tl2 Cd1\n1.0\n-2.129749 2.129749 5.284639\n2.129749 -2.129749 5.284639\n2.129749 2.129749 -5.284639\nBe Tl Cd\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Tl\n0.250000 0.750000 0.500000 Tl\n0.750000 0.250000 0.500000 Cd\n",
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{
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"created_at": "2022-09-04T14:37:05.716304Z",
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"structure_string": "K1 C2 I1 N2\n1.0\n4.217921 -0.001883 0.248492\n1.908446 3.761473 0.248491\n0.180490 0.110762 9.077655\nK C I N\n1 2 1 2\ndirect\n0.500001 0.500000 0.500000 K\n0.879292 0.879291 0.775444 C\n0.120709 0.120709 0.224556 C\n0.000000 0.000000 0.000000 I\n0.179539 0.179539 0.340714 N\n0.820462 0.820461 0.659286 N\n",
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{
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{
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"structure_string": "Lu4 Ag4 Se8\n1.0\n4.151821 -0.000000 0.000000\n0.000000 6.795085 0.000000\n-0.000000 -0.000000 13.596309\nLu Ag Se\n4 4 8\ndirect\n0.282998 0.711319 0.628622 Lu\n0.782998 0.788682 0.371378 Lu\n0.717002 0.211319 0.871378 Lu\n0.217002 0.288681 0.128622 Lu\n0.515074 0.710309 0.874822 Ag\n0.015074 0.789693 0.125178 Ag\n0.484926 0.210308 0.625178 Ag\n-0.015074 0.289692 0.374822 Ag\n0.783888 0.917665 0.725562 Se\n0.283888 0.582336 0.274438 Se\n0.216112 0.417665 0.774438 Se\n0.716112 0.082336 0.225562 Se\n0.776543 0.516153 0.528314 Se\n0.276543 0.983848 0.471686 Se\n0.223457 0.016153 0.971686 Se\n0.723457 0.483848 0.028314 Se\n",
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]
}