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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=412",
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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",
"created_at": "2022-09-04T14:38:36.085566Z",
"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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"volume": 324.43200699308204,
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"formula_full": "K2 Li1 Sb1 Br6",
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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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"elements": [
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"density": 5.886745912518347,
"density_atomic": 0.03082385048435477,
"volume": 389.3089218717443,
"volume_molar": 19.537276055295724,
"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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"Te"
],
"chemical_system": "Te-U",
"density": 7.944278195874263,
"density_atomic": 0.030824312964862863,
"volume": 259.53538718346556,
"volume_molar": 19.536982922749118,
"formula_full": "U2 Te6",
"formula_reduced": "UTe3",
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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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"elements": [
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"density": 7.706905384105971,
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"volume": 129.76344562032816,
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"spacegroup": 139
},
{
"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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"density": 3.387337153891508,
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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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"elements": [
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],
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"density": 5.2668633187688245,
"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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],
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"density": 5.741533600558344,
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"volume": 129.7564212038472,
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"formula_full": "Yb1 Ac1 Mg2",
"formula_reduced": "AcYbMg2",
"formula_anonymous": "ABC2",
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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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"Au",
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"density": 6.166752334072415,
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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",
"nsites": 2,
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"elements": [
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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",
"nsites": 18,
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"volume": 583.8495589525152,
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"formula_full": "K4 Sn2 Br12",
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"spacegroup": 14
},
{
"id": "jvasp-29002",
"created_at": "2022-09-04T14:37:49.918319Z",
"updated_at": "2022-09-04T14:37:49.918345Z",
"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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}