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{
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"results": [
{
"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",
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{
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"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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{
"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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"Mn",
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"volume": 479.3771097641013,
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"formula_full": "K4 Mn4 Cl12",
"formula_reduced": "KMnCl3",
"formula_anonymous": "ABC3",
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"spacegroup": 62
},
{
"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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"chemical_system": "Au-Ge-La",
"density": 9.433852507151261,
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"volume": 143.81191552903852,
"volume_molar": 14.434259971351663,
"formula_full": "La2 Ge2 Au2",
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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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"volume": 766.9861273016016,
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"formula_anonymous": "A2B5C9",
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"spacegroup": 2
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{
"id": "jvasp-10565",
"created_at": "2022-09-04T14:37:07.420021Z",
"updated_at": "2022-09-04T14:37:07.420039Z",
"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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"density": 6.012049779306659,
"density_atomic": 0.04172549079914478,
"volume": 287.5939808057562,
"volume_molar": 14.432761951175017,
"formula_full": "K2 Ag6 Se4",
"formula_reduced": "KAg3Se2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.2124679811111112,
"spacegroup": 12
},
{
"id": "jvasp-16470",
"created_at": "2022-09-04T14:37:37.829352Z",
"updated_at": "2022-09-04T14:37:37.829365Z",
"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",
"nsites": 3,
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"volume": 71.89607366341701,
"volume_molar": 14.432275856414202,
"formula_full": "Dy1 Cd2",
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"spacegroup": 191
},
{
"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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"volume": 143.7917540737247,
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"formula_full": "Cu2 Sn1 Se3",
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"spacegroup": 44
},
{
"id": "jvasp-106972",
"created_at": "2022-09-04T14:36:56.754885Z",
"updated_at": "2022-09-04T14:36:56.754910Z",
"structure_string": "Pm2 Pd1 Au1\n1.0\n4.448780 -0.000000 2.568504\n1.482927 4.194350 2.568504\n-0.000000 -0.000000 5.137009\nPm Pd Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750001 0.750000 0.749999 Pm\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.499999 Au\n",
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},
{
"id": "jvasp-54948",
"created_at": "2022-09-04T14:38:18.657357Z",
"updated_at": "2022-09-04T14:38:18.657391Z",
"structure_string": "Yb1 Sb1 Pd1\n1.0\n4.041984 -0.000000 2.333640\n1.347328 3.810819 2.333640\n0.000000 0.000000 4.667281\nYb Sb Pd\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Sb\n0.250000 0.250000 0.250000 Pd\n",
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{
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"structure_string": "Nd6 Si4 S16 I2\n1.0\n7.827316 0.000000 0.000000\n-3.913658 7.887680 -1.137584\n0.000000 -0.018898 10.869870\nNd Si S I\n6 4 16 2\ndirect\n0.398647 -0.000000 0.750000 Nd\n0.076448 0.396655 0.681012 Nd\n0.320208 0.396656 0.181012 Nd\n0.679792 0.603344 0.818988 Nd\n0.923552 0.603344 0.318988 Nd\n0.601353 -0.000000 0.250000 Nd\n0.622017 0.318890 0.527718 Si\n0.303126 0.681110 0.972282 Si\n0.377983 0.681110 0.472282 Si\n0.696874 0.318890 0.027718 Si\n0.713710 0.565234 0.085320 S\n0.410968 0.134860 0.040135 S\n0.851524 0.565234 0.585320 S\n0.107942 0.710547 0.853753 S\n0.892058 0.289453 0.146247 S\n0.589032 0.865140 0.959865 S\n0.723893 0.134860 0.540135 S\n0.748761 0.297809 0.835934 S\n0.602605 0.710547 0.353753 S\n0.397395 0.289452 0.646247 S\n0.276108 0.865140 0.459865 S\n0.549049 0.297809 0.335934 S\n0.450951 0.702191 0.664066 S\n0.148476 0.434766 0.414680 S\n0.251240 0.702191 0.164066 S\n0.286291 0.434766 0.914680 S\n0.983253 -0.000000 0.750000 I\n0.016747 -0.000000 0.250000 I\n",
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{
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"created_at": "2022-09-04T14:36:47.540726Z",
"updated_at": "2022-09-04T14:36:47.540745Z",
"structure_string": "Ca1 Mg1 Cd2\n1.0\n4.448638 -0.000000 2.568422\n1.482879 4.194216 2.568422\n-0.000000 -0.000000 5.136844\nCa Mg Cd\n1 1 2\ndirect\n0.500000 0.500001 0.499999 Ca\n0.000000 0.000000 0.000000 Mg\n0.750000 0.750001 0.749998 Cd\n0.250000 0.250000 0.249999 Cd\n",
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}
]
}