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{
"id": "jvasp-22743",
"created_at": "2022-09-04T14:37:31.026984Z",
"updated_at": "2022-09-04T14:37:31.027011Z",
"structure_string": "Al12 Ru2\n1.0\n4.997211 0.010361 0.000000\n-0.650286 4.954731 -0.000000\n0.000000 -0.000000 9.084753\nAl Ru\n12 2\ndirect\n0.319141 0.680858 0.000000 Al\n0.680858 0.319142 0.500000 Al\n0.680858 0.319142 0.000000 Al\n0.319141 0.680858 0.500000 Al\n0.139769 0.139769 0.100021 Al\n0.860230 0.860230 0.600020 Al\n0.139769 0.139769 0.399979 Al\n0.860230 0.860230 0.899979 Al\n0.616788 0.976534 0.250000 Al\n0.383211 0.023466 0.750000 Al\n0.976533 0.616789 0.250000 Al\n0.023466 0.383211 0.750000 Al\n0.462175 0.462175 0.250000 Ru\n0.537824 0.537824 0.750000 Ru\n",
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{
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"structure_string": "In2 Cu2 Te2 Se2\n1.0\n5.561898 0.002893 -4.963971\n-1.101048 5.431136 -4.986600\n-0.005498 -0.002893 7.454910\nIn Cu Te Se\n2 2 2 2\ndirect\n0.380773 0.130773 0.250000 In\n0.119227 0.369227 0.750000 In\n0.888011 0.638012 0.250000 Cu\n0.611988 0.861989 0.750001 Cu\n0.539339 0.250000 0.789339 Te\n0.960661 0.750000 0.710662 Te\n0.250000 0.525821 0.275821 Se\n0.750000 0.974180 0.224180 Se\n",
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{
"id": "jvasp-112353",
"created_at": "2022-09-04T14:38:26.427568Z",
"updated_at": "2022-09-04T14:38:26.427586Z",
"structure_string": "Nb1 W3 S8\n1.0\n3.237066 0.000000 0.000000\n0.000000 5.613364 0.000000\n-0.000000 0.000000 12.380884\nNb W S\n1 3 8\ndirect\n0.500001 0.828885 0.500000 Nb\n-0.000000 0.337447 0.500000 W\n-0.000000 0.666553 -0.000000 W\n0.500001 0.166591 -0.000000 W\n0.500001 0.833294 0.873968 S\n-0.000000 0.333314 0.873966 S\n-0.000000 0.661224 0.629469 S\n0.500001 0.172442 0.626231 S\n-0.000000 0.661224 0.370531 S\n0.500001 0.172442 0.373769 S\n0.500001 0.833294 0.126032 S\n-0.000000 0.333314 0.126034 S\n",
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"formula_full": "Nb1 W3 S8",
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"spacegroup": 25
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{
"id": "jvasp-19299",
"created_at": "2022-09-04T14:36:49.093990Z",
"updated_at": "2022-09-04T14:36:49.094005Z",
"structure_string": "Mg6 Ni4 O14\n1.0\n5.205388 -0.000000 -0.000000\n0.000000 4.782486 -1.289998\n-0.000000 -0.119021 9.068937\nMg Ni O\n6 4 14\ndirect\n0.673419 0.777945 -0.000000 Mg\n0.173419 0.222056 -0.000000 Mg\n0.829724 0.564490 0.615197 Mg\n0.329724 0.435512 0.384803 Mg\n0.829724 0.949292 0.384803 Mg\n0.329724 0.050709 0.615197 Mg\n0.749446 0.355763 0.204505 Ni\n0.249445 0.644238 0.795495 Ni\n0.249445 0.848742 0.204505 Ni\n0.749446 0.151259 0.795495 Ni\n0.311415 0.609597 -0.000000 O\n0.811415 0.390404 -0.000000 O\n0.442549 0.136471 0.149605 O\n0.942549 0.863530 0.850395 O\n0.041878 0.583229 0.272667 O\n0.541878 0.416772 0.727334 O\n0.203988 0.069684 0.407593 O\n0.041878 0.310563 0.727334 O\n0.703988 0.337911 0.407593 O\n0.203988 0.662090 0.592407 O\n0.942549 0.013135 0.149605 O\n0.703988 0.930317 0.592407 O\n0.541878 0.689438 0.272667 O\n0.442549 0.986866 0.850395 O\n",
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{
"id": "jvasp-43987",
"created_at": "2022-09-04T14:35:50.209398Z",
"updated_at": "2022-09-04T14:35:50.209418Z",
"structure_string": "Mn6 O2 F10\n1.0\n3.209119 0.000000 0.000000\n0.000000 4.839546 0.000000\n0.000000 0.000000 14.484964\nMn O F\n6 2 10\ndirect\n0.000000 0.777267 0.006487 Mn\n0.000000 0.719091 0.332967 Mn\n0.000000 0.788383 0.656942 Mn\n0.500000 0.211617 0.156942 Mn\n0.500000 0.222734 0.506487 Mn\n0.500000 0.280909 0.832967 Mn\n0.500000 0.949493 0.600851 O\n0.000000 0.050508 0.100851 O\n0.500000 0.560104 0.065293 F\n0.000000 0.485719 0.902863 F\n0.000000 0.439896 0.565293 F\n0.000000 0.416431 0.229792 F\n0.500000 0.924121 0.270465 F\n0.000000 0.075879 0.770465 F\n0.500000 0.967535 0.934338 F\n0.500000 0.514281 0.402863 F\n0.000000 0.032466 0.434338 F\n0.500000 0.583569 0.729792 F\n",
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"volume": 224.96132649987868,
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"formula_full": "Mn6 O2 F10",
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{
"id": "jvasp-21917",
"created_at": "2022-09-04T14:38:30.097012Z",
"updated_at": "2022-09-04T14:38:30.097040Z",
"structure_string": "Lu4 Ge4 Pt4\n1.0\n4.322366 0.000000 0.000000\n-0.000000 6.863651 0.000000\n0.000000 0.000000 7.581578\nLu Ge Pt\n4 4 4\ndirect\n0.750001 0.497473 0.797119 Lu\n0.250000 0.002527 0.297119 Lu\n0.750001 0.997473 0.702882 Lu\n0.250000 0.502527 0.202882 Lu\n0.250000 0.690118 0.590178 Ge\n0.250000 0.190119 0.909822 Ge\n0.750001 0.309881 0.409822 Ge\n0.750001 0.809881 0.090178 Ge\n0.250000 0.790541 0.916031 Pt\n0.250000 0.290541 0.583970 Pt\n0.750001 0.709459 0.416031 Pt\n0.750001 0.209459 0.083970 Pt\n",
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"density": 13.072945276751682,
"density_atomic": 0.05335128789488528,
"volume": 224.92427968454768,
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"formula_full": "Lu4 Ge4 Pt4",
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"formula_anonymous": "ABC",
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{
"id": "jvasp-15732",
"created_at": "2022-09-04T14:37:02.117647Z",
"updated_at": "2022-09-04T14:37:02.117668Z",
"structure_string": "Rb2 Fe2 Se4\n1.0\n5.526567 -0.000687 -1.129664\n-2.086601 5.861289 -3.128197\n-0.024490 -0.026284 6.963687\nRb Fe Se\n2 2 4\ndirect\n0.750001 0.639359 0.360641 Rb\n0.250000 0.360641 0.639359 Rb\n0.750001 0.001235 0.998766 Fe\n0.250000 0.998765 0.001234 Fe\n0.903156 0.696387 0.919925 Se\n0.403156 0.919925 0.696387 Se\n0.596845 0.080075 0.303614 Se\n0.096844 0.303614 0.080076 Se\n",
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"spacegroup": 15
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{
"id": "jvasp-109001",
"created_at": "2022-09-04T14:38:17.591177Z",
"updated_at": "2022-09-04T14:38:17.591196Z",
"structure_string": "K2 Nb1 Hg1 F6\n1.0\n5.911305 -0.000000 3.412894\n1.970435 5.573232 3.412894\n-0.000000 -0.000000 6.825787\nK Nb Hg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750001 0.750000 0.749999 K\n0.000000 0.000000 0.000000 Nb\n0.500001 0.500000 0.499999 Hg\n0.207857 0.207856 0.792144 F\n0.207857 0.792143 0.792143 F\n0.792145 0.792143 0.207855 F\n0.207857 0.792143 0.207856 F\n0.792145 0.207856 0.792143 F\n0.792145 0.207856 0.207855 F\n",
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{
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"created_at": "2022-09-04T14:36:41.402994Z",
"updated_at": "2022-09-04T14:36:41.403015Z",
"structure_string": "Tl6 S2\n1.0\n6.835666 -0.000000 0.000000\n-3.417833 5.919860 0.000000\n0.000000 0.000000 5.556977\nTl S\n6 2\ndirect\n0.172425 0.344850 0.250000 Tl\n0.655151 0.827575 0.250000 Tl\n0.172425 0.827575 0.250000 Tl\n0.827576 0.655150 0.750000 Tl\n0.344850 0.172425 0.750000 Tl\n0.827576 0.172425 0.750000 Tl\n0.333334 0.666667 0.750000 S\n0.666667 0.333333 0.250000 S\n",
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{
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"created_at": "2022-09-04T14:35:58.963129Z",
"updated_at": "2022-09-04T14:35:58.963152Z",
"structure_string": "Ba4 In1 Tc1\n1.0\n0.000000 4.826498 4.826498\n4.826498 0.000000 4.826498\n4.826498 4.826498 0.000000\nBa In Tc\n4 1 1\ndirect\n0.123281 0.625573 0.625573 Ba\n0.625573 0.625573 0.625573 Ba\n0.625573 0.123281 0.625573 Ba\n0.625573 0.625573 0.123281 Ba\n0.250000 0.250000 0.250000 In\n0.000000 0.000000 0.000000 Tc\n",
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{
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"structure_string": "Ca4 In4\n1.0\n6.173487 0.349894 -2.406114\n-3.393111 5.406908 -1.809941\n0.219576 -0.349894 6.622168\nCa In\n4 4\ndirect\n0.500001 0.750000 0.250001 Ca\n0.500001 0.250000 0.750001 Ca\n0.000001 0.749998 0.749999 Ca\n0.000000 0.250003 0.250003 Ca\n0.500038 0.750019 0.750020 In\n0.000001 0.750019 0.249982 In\n0.000001 0.249982 0.750019 In\n0.499963 0.249981 0.249982 In\n",
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{
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"created_at": "2022-09-04T14:37:57.697641Z",
"updated_at": "2022-09-04T14:37:57.697667Z",
"structure_string": "Yb4 Mn4 Ge4\n1.0\n4.235676 0.000000 0.000000\n-0.000000 7.163769 0.000000\n0.000000 0.000000 7.410434\nYb Mn Ge\n4 4 4\ndirect\n0.250000 0.506141 0.182516 Yb\n0.750001 0.493860 0.817484 Yb\n0.250000 0.006140 0.317484 Yb\n0.750001 0.993860 0.682515 Yb\n0.750001 0.369126 0.440948 Mn\n0.250000 0.130874 0.940948 Mn\n0.750001 0.869126 0.059051 Mn\n0.250000 0.630874 0.559051 Mn\n0.250000 0.288351 0.612542 Ge\n0.750001 0.211649 0.112542 Ge\n0.250000 0.788351 0.887458 Ge\n0.750001 0.711649 0.387458 Ge\n",
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