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"results": [
{
"id": "jvasp-117849",
"created_at": "2022-09-04T14:38:53.121145Z",
"updated_at": "2022-09-04T14:38:53.121171Z",
"structure_string": "P1 Br3\n1.0\n5.927366 -1.501503 -1.210602\n1.489987 -6.039659 0.485205\n0.111300 0.659360 -3.986196\nP Br\n1 3\ndirect\n0.392915 -0.018510 0.153421 P\n0.060336 0.982619 -0.006104 Br\n0.723279 0.646580 0.682698 Br\n0.386284 0.317608 0.014488 Br\n",
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{
"id": "jvasp-110661",
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"updated_at": "2022-09-04T14:38:36.085598Z",
"structure_string": "K2 Li1 Sb1 Br6\n1.0\n6.679493 -0.000000 3.856407\n2.226498 6.297487 3.856407\n-0.000000 -0.000000 7.712815\nK Li Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sb\n0.744066 0.255934 0.255934 Br\n0.255934 0.255934 0.744066 Br\n0.255934 0.744066 0.744066 Br\n0.255934 0.744066 0.255934 Br\n0.744066 0.255934 0.744066 Br\n0.744066 0.744066 0.255934 Br\n",
"nsites": 10,
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"elements": [
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{
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"created_at": "2022-09-04T14:37:06.794111Z",
"updated_at": "2022-09-04T14:37:06.794130Z",
"structure_string": "Zr4 I8\n1.0\n3.773592 0.000000 0.000000\n0.000000 6.882684 0.000000\n0.000000 0.000000 14.989308\nZr I\n4 8\ndirect\n0.000000 0.491478 0.007146 Zr\n0.000000 0.884449 0.500236 Zr\n0.500000 0.115550 0.000236 Zr\n0.500000 0.508521 0.507146 Zr\n0.000000 0.883102 0.113529 I\n0.500000 0.778602 0.356614 I\n0.000000 0.221397 0.856614 I\n0.500000 0.724924 0.894102 I\n0.500000 0.116898 0.613529 I\n0.500000 0.384150 0.150674 I\n0.000000 0.275076 0.394102 I\n0.000000 0.615850 0.650674 I\n",
"nsites": 12,
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"density": 5.886745912518347,
"density_atomic": 0.03082385048435477,
"volume": 389.3089218717443,
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"formula_full": "Zr4 I8",
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"spacegroup": 31
},
{
"id": "jvasp-29569",
"created_at": "2022-09-04T14:37:30.383962Z",
"updated_at": "2022-09-04T14:37:30.383988Z",
"structure_string": "U2 Te6\n1.0\n4.171759 0.000000 0.000000\n0.000000 5.802075 -1.835306\n0.000000 -1.324976 11.141565\nU Te\n2 6\ndirect\n0.250000 0.373959 0.163289 U\n0.750000 0.626040 0.836710 U\n0.750000 0.749057 0.337845 Te\n0.750000 0.203838 0.938747 Te\n0.750000 0.258294 0.333929 Te\n0.250000 0.250942 0.662154 Te\n0.250000 0.796160 0.061252 Te\n0.250000 0.741704 0.666070 Te\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Te-U",
"density": 7.944278195874263,
"density_atomic": 0.030824312964862863,
"volume": 259.53538718346556,
"volume_molar": 19.536982922749118,
"formula_full": "U2 Te6",
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"spacegroup": 11
},
{
"id": "jvasp-106576",
"created_at": "2022-09-04T14:36:58.956619Z",
"updated_at": "2022-09-04T14:36:58.956652Z",
"structure_string": "Pm3 Er1\n1.0\n4.608302 -0.029891 -4.138323\n-0.936347 4.512272 -4.138323\n0.024487 0.029891 6.193671\nPm Er\n3 1\ndirect\n0.750000 0.250000 0.500000 Pm\n0.250000 0.750000 0.500000 Pm\n0.499999 0.500000 0.000000 Pm\n0.000000 0.000000 0.000000 Er\n",
"nsites": 4,
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"volume": 129.76344562032816,
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{
"id": "jvasp-12535",
"created_at": "2022-09-04T14:38:10.946337Z",
"updated_at": "2022-09-04T14:38:10.946367Z",
"structure_string": "K4 Zn2 Br8\n1.0\n0.000000 7.238563 -0.047501\n7.365834 0.000000 0.000000\n0.000000 -2.908304 -8.498867\nK Zn Br\n4 2 8\ndirect\n0.230612 0.750000 0.429380 K\n0.769388 0.250000 0.570620 K\n0.283072 0.750000 0.948663 K\n0.716928 0.250000 0.051337 K\n0.718092 0.750000 0.796728 Zn\n0.281908 0.250000 0.203272 Zn\n0.899851 0.750000 0.075590 Br\n0.100149 0.250000 0.924410 Br\n0.916857 0.750000 0.624831 Br\n0.083143 0.250000 0.375169 Br\n0.493440 0.005715 0.736570 Br\n0.506561 0.505715 0.263430 Br\n0.506561 0.994284 0.263430 Br\n0.493440 0.494284 0.736570 Br\n",
"nsites": 14,
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"elements": [
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"volume": 454.16061546118823,
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"formula_full": "K4 Zn2 Br8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 11
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{
"id": "jvasp-15955",
"created_at": "2022-09-04T14:37:52.734205Z",
"updated_at": "2022-09-04T14:37:52.734225Z",
"structure_string": "Nd3 Ga1 C1\n1.0\n5.453594 0.000000 -0.000000\n0.000000 5.453594 -0.000000\n-0.000000 -0.000000 5.453594\nNd Ga C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Nd\n0.500000 0.000000 0.500000 Nd\n0.500000 0.500000 0.000000 Nd\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
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"density_atomic": 0.030826313781495036,
"volume": 162.1990885916917,
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"formula_full": "Nd3 Ga1 C1",
"formula_reduced": "Nd3GaC",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-37478",
"created_at": "2022-09-04T14:38:06.392988Z",
"updated_at": "2022-09-04T14:38:06.392999Z",
"structure_string": "Yb1 Ac1 Mg2\n1.0\n-0.000000 4.018213 4.018213\n4.018213 0.000000 4.018213\n4.018213 4.018213 -0.000000\nYb Ac Mg\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Yb\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Mg\n0.500001 0.500001 0.500001 Mg\n",
"nsites": 4,
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"elements": [
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"volume": 129.7564212038472,
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"formula_full": "Yb1 Ac1 Mg2",
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},
{
"id": "jvasp-3033",
"created_at": "2022-09-04T14:36:55.002661Z",
"updated_at": "2022-09-04T14:36:55.002682Z",
"structure_string": "Rb2 Au2 Se2\n1.0\n5.365120 -0.011437 0.000000\n-1.100174 5.251120 0.000000\n0.000000 0.000000 6.911409\nRb Au Se\n2 2 2\ndirect\n0.631693 0.368307 0.250000 Rb\n0.368308 0.631692 0.750000 Rb\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n0.209692 0.790308 0.250000 Se\n0.790308 0.209691 0.750000 Se\n",
"nsites": 6,
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"volume": 194.62739402003976,
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"formula_full": "Rb2 Au2 Se2",
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},
{
"id": "jvasp-18653",
"created_at": "2022-09-04T14:36:59.704844Z",
"updated_at": "2022-09-04T14:36:59.704857Z",
"structure_string": "Sr1 Cd1\n1.0\n4.018134 0.000000 -0.000000\n0.000000 4.018134 -0.000000\n0.000000 0.000000 4.018134\nSr Cd\n1 1\ndirect\n0.499999 0.499999 0.499999 Sr\n0.000000 0.000000 0.000000 Cd\n",
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},
{
"id": "jvasp-85302",
"created_at": "2022-09-04T14:35:58.033138Z",
"updated_at": "2022-09-04T14:35:58.033150Z",
"structure_string": "K4 Sn2 Br12\n1.0\n7.548836 0.000000 0.000000\n0.000000 7.373200 -0.047778\n0.000000 -0.035262 10.489974\nK Sn Br\n4 2 12\ndirect\n0.437386 0.981725 0.251921 K\n0.062614 0.481725 0.751921 K\n0.937386 0.518275 0.248078 K\n0.562615 0.018275 0.748078 K\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.701640 0.790292 0.462215 Br\n-0.002718 0.928927 0.752324 Br\n0.201640 0.709708 0.037785 Br\n0.298360 0.209708 0.537785 Br\n0.497282 0.571074 0.747675 Br\n0.002718 0.071074 0.247675 Br\n0.289533 0.199682 0.968984 Br\n0.710468 0.800319 0.031015 Br\n0.210467 0.699681 0.468984 Br\n0.502718 0.428927 0.252324 Br\n0.789533 0.300319 0.531015 Br\n0.798360 0.290292 0.962215 Br\n",
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"volume": 583.8495589525152,
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"formula_full": "K4 Sn2 Br12",
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"spacegroup": 14
},
{
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"created_at": "2022-09-04T14:37:49.918319Z",
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"structure_string": "Te4 Mo1 W3 S4\n1.0\n3.381728 -0.000000 -0.000000\n-1.690865 2.928460 -0.000083\n-0.000000 -0.001120 39.303377\nTe Mo W S\n4 1 3 4\ndirect\n0.333368 0.666741 0.706927 Te\n0.666641 0.333282 0.419895 Te\n0.666683 0.333367 0.516368 Te\n0.333326 0.666654 0.610933 Te\n0.666635 0.333270 0.281773 Mo\n0.333317 0.666636 0.093975 W\n0.333348 0.666696 0.468232 W\n0.666666 0.333333 0.659085 W\n0.333373 0.666749 0.320220 S\n0.666630 0.333259 0.055576 S\n0.666669 0.333335 0.132488 S\n0.333337 0.666678 0.243277 S\n",
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}