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{
"id": "jvasp-44074",
"created_at": "2022-09-04T14:38:17.727310Z",
"updated_at": "2022-09-04T14:38:17.727332Z",
"structure_string": "Li4 Fe3 Si3 O12\n1.0\n4.312982 0.004990 0.004571\n-2.150905 -4.903431 0.074909\n-2.144753 0.683281 -11.660274\nLi Fe Si O\n4 3 3 12\ndirect\n0.251116 0.917071 0.579815 Li\n0.754122 0.749308 0.753549 Li\n0.750082 0.422157 0.081918 Li\n0.246098 0.244778 0.251374 Li\n0.501620 0.833508 0.166692 Fe\n0.491699 0.488990 0.496193 Fe\n0.506401 0.177436 0.837116 Fe\n0.995998 0.664798 0.332712 Si\n0.005396 0.333197 0.666663 Si\n0.998569 0.002048 0.000629 Si\n0.866458 0.248176 0.968144 O\n0.343078 0.443043 0.773744 O\n0.337105 0.113532 0.110457 O\n0.650193 0.418623 0.365143 O\n0.113263 0.553422 0.222862 O\n0.108590 0.911885 0.886742 O\n0.888606 0.587772 0.628272 O\n0.896593 0.921417 0.288792 O\n0.309958 0.754684 0.446621 O\n0.126176 0.223370 0.559584 O\n0.686456 0.745514 0.044584 O\n0.672434 0.078606 0.705057 O\n",
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{
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"structure_string": "Ba1 Ca1 Sb4 O8\n1.0\n3.114223 -5.393991 -0.000000\n3.114223 5.393991 0.000000\n-0.000000 -0.000000 7.328267\nBa Ca Sb O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666667 0.725711 Sb\n0.666667 0.333333 0.725711 Sb\n0.333333 0.666667 0.274289 Sb\n0.666667 0.333333 0.274289 Sb\n0.297140 0.297140 0.717991 O\n0.702859 -0.000000 0.717991 O\n-0.000000 0.702859 0.717991 O\n0.702859 0.702859 0.282010 O\n-0.000000 0.297141 0.282010 O\n0.297141 -0.000000 0.282010 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 14,
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"volume": 246.20178944350673,
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"formula_full": "Ba1 Ca1 Sb4 O8",
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{
"id": "jvasp-116667",
"created_at": "2022-09-04T14:38:44.273542Z",
"updated_at": "2022-09-04T14:38:44.273570Z",
"structure_string": "Na1 Li3 V4 O12\n1.0\n6.499923 0.061950 1.773873\n0.547235 6.477142 1.773873\n0.019981 0.018541 5.862891\nNa Li V O\n1 3 4 12\ndirect\n0.713444 0.286556 -0.000000 Na\n0.921292 0.078707 0.500000 Li\n0.088809 0.911190 -0.000000 Li\n0.272270 0.727729 0.500000 Li\n0.806725 0.618355 0.503387 V\n0.381644 0.193274 0.496613 V\n0.191346 0.379768 0.996589 V\n0.620231 0.808653 0.003410 V\n0.224970 0.000771 0.590448 O\n0.999228 0.775029 0.409551 O\n0.656420 0.635172 0.803543 O\n0.364827 0.343579 0.196456 O\n0.333377 0.377566 0.687994 O\n0.625829 0.093358 0.456795 O\n0.384170 0.930545 0.025284 O\n0.069454 0.615829 0.974716 O\n0.019838 0.202960 0.104232 O\n0.906641 0.374170 0.543204 O\n0.622433 0.666622 0.312005 O\n0.797038 0.980161 0.895767 O\n",
"nsites": 20,
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"elements": [
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],
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"volume": 246.21121213124903,
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"formula_full": "Na1 Li3 V4 O12",
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{
"id": "jvasp-59902",
"created_at": "2022-09-04T14:37:06.654786Z",
"updated_at": "2022-09-04T14:37:06.654812Z",
"structure_string": "Zn2 Cr4 S8\n1.0\n6.997440 0.004413 -0.009066\n-3.423849 6.102478 0.000624\n-3.328612 -2.143268 5.769817\nZn Cr S\n2 4 8\ndirect\n0.000125 0.000050 0.000146 Zn\n0.500083 0.999926 0.500068 Zn\n-0.000025 0.500000 0.999971 Cr\n0.499997 0.499977 -0.000020 Cr\n0.499984 -0.000000 -0.000023 Cr\n0.000002 0.500012 0.500012 Cr\n0.021378 0.749920 0.771295 S\n0.015569 0.269880 0.754347 S\n0.478591 0.749902 0.228482 S\n0.515583 0.261227 0.245688 S\n0.521371 0.250067 0.771446 S\n0.984400 0.730110 0.245616 S\n0.484393 0.738770 0.754292 S\n0.978587 0.250111 0.228678 S\n",
"nsites": 14,
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{
"id": "jvasp-64610",
"created_at": "2022-09-04T14:35:53.510328Z",
"updated_at": "2022-09-04T14:35:53.510352Z",
"structure_string": "Ba4 Sr1 Ir1\n1.0\n-0.000000 4.974734 4.974734\n4.974734 -0.000000 4.974734\n4.974734 4.974734 -0.000000\nBa Sr Ir\n4 1 1\ndirect\n0.133355 0.622214 0.622214 Ba\n0.622214 0.622214 0.622214 Ba\n0.622214 0.133355 0.622214 Ba\n0.622214 0.622214 0.133355 Ba\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Ir\n",
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],
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"volume": 246.22921886452892,
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"formula_full": "Ba4 Sr1 Ir1",
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{
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"created_at": "2022-09-04T14:36:33.881318Z",
"updated_at": "2022-09-04T14:36:33.881336Z",
"structure_string": "Tl4 Br3 Cl1\n1.0\n3.948587 -0.000000 0.000000\n0.000000 3.948587 0.000000\n-0.000000 -0.000000 15.793595\nTl Br Cl\n4 3 1\ndirect\n0.000000 0.000000 0.881820 Tl\n0.000000 0.000000 0.118180 Tl\n0.000000 0.000000 0.372858 Tl\n0.000000 0.000000 0.627142 Tl\n0.500000 0.500000 0.245603 Br\n0.500000 0.500000 0.500000 Br\n0.500000 0.500000 0.754397 Br\n0.500000 0.500000 -0.000000 Cl\n",
"nsites": 8,
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"elements": [
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],
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"density": 7.368598703825519,
"density_atomic": 0.03248819380409031,
"volume": 246.24329835759565,
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"formula_full": "Tl4 Br3 Cl1",
"formula_reduced": "Tl4Br3Cl",
"formula_anonymous": "AB3C4",
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"spacegroup": 123
},
{
"id": "jvasp-10342",
"created_at": "2022-09-04T14:37:27.514057Z",
"updated_at": "2022-09-04T14:37:27.514066Z",
"structure_string": "Ge4 Mo2 O12\n1.0\n5.527885 0.068072 1.313623\n1.550427 6.597447 0.725847\n0.185709 -0.050126 6.813222\nGe Mo O\n4 2 12\ndirect\n0.747359 0.388232 0.213943 Ge\n0.752643 0.786056 0.611768 Ge\n0.252643 0.611768 0.786056 Ge\n0.247358 0.213943 0.388232 Ge\n0.750001 0.905781 0.094219 Mo\n0.250001 0.094218 0.905781 Mo\n0.631683 0.958892 0.820395 O\n0.868319 0.179605 0.041107 O\n0.732037 0.626316 0.083304 O\n0.767966 0.916696 0.373685 O\n0.267965 0.373685 0.916695 O\n0.559287 0.613800 0.647398 O\n-0.059286 0.352601 0.386200 O\n0.131683 0.820395 0.958893 O\n0.059286 0.647398 0.613800 O\n0.440715 0.386199 0.352601 O\n0.232036 0.083304 0.626315 O\n0.368319 0.041107 0.179605 O\n",
"nsites": 18,
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],
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"density": 4.547770003625574,
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"volume": 246.25739896775778,
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{
"id": "jvasp-64004",
"created_at": "2022-09-04T14:35:43.701098Z",
"updated_at": "2022-09-04T14:35:43.701125Z",
"structure_string": "Ba4 Bi1 Te1\n1.0\n-0.000000 4.974952 4.974952\n4.974952 0.000000 4.974952\n4.974952 4.974952 0.000000\nBa Bi Te\n4 1 1\ndirect\n0.125527 0.624824 0.624824 Ba\n0.624824 0.624824 0.624824 Ba\n0.624824 0.125527 0.624824 Ba\n0.624824 0.624824 0.125527 Ba\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Te\n",
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"volume": 246.2615906387742,
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"formula_full": "Ba4 Bi1 Te1",
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{
"id": "jvasp-64311",
"created_at": "2022-09-04T14:35:42.277679Z",
"updated_at": "2022-09-04T14:35:42.277707Z",
"structure_string": "Ba4 Sc1 P1\n1.0\n-0.000000 4.974973 4.974973\n4.974973 -0.000000 4.974973\n4.974973 4.974973 0.000000\nBa Sc P\n4 1 1\ndirect\n0.128405 0.623864 0.623864 Ba\n0.623864 0.623864 0.623864 Ba\n0.623864 0.128405 0.623864 Ba\n0.623864 0.623864 0.128405 Ba\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 P\n",
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},
{
"id": "jvasp-34965",
"created_at": "2022-09-04T14:38:31.234639Z",
"updated_at": "2022-09-04T14:38:31.234652Z",
"structure_string": "Li8 Al3 Si5\n1.0\n6.268432 0.000000 -0.000000\n0.000000 6.268432 0.000000\n0.000000 0.000000 6.268432\nLi Al Si\n8 3 5\ndirect\n0.256044 0.743956 0.256044 Li\n0.743956 0.256044 0.256044 Li\n0.256044 0.256044 0.743956 Li\n0.000000 0.000000 0.000000 Li\n-0.000000 0.500000 0.500000 Li\n0.743956 0.743956 0.743956 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Al\n-0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.249437 0.249437 0.249437 Si\n0.500000 0.500000 0.500000 Si\n0.750563 0.249437 0.750563 Si\n0.750563 0.750563 0.249437 Si\n0.249437 0.750563 0.750563 Si\n",
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{
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"created_at": "2022-09-04T14:37:41.302259Z",
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"structure_string": "Tb4 Ni4 Sn4\n1.0\n4.487978 -0.000000 0.000000\n-0.000000 7.176212 0.000000\n0.000000 0.000000 7.647766\nTb Ni Sn\n4 4 4\ndirect\n0.750000 0.014781 0.700988 Tb\n0.250000 0.985218 0.299013 Tb\n0.750000 0.514781 0.799013 Tb\n0.250000 0.485218 0.200988 Tb\n0.750000 0.798827 0.084041 Ni\n0.250000 0.201173 0.915960 Ni\n0.750000 0.298827 0.415960 Ni\n0.250000 0.701172 0.584041 Ni\n0.750000 0.689235 0.412201 Sn\n0.250000 0.310765 0.587799 Sn\n0.750000 0.189235 0.087799 Sn\n0.250000 0.810765 0.912202 Sn\n",
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{
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"created_at": "2022-09-04T14:38:26.056958Z",
"updated_at": "2022-09-04T14:38:26.056983Z",
"structure_string": "Ce4 Rh4 O12\n1.0\n5.357936 0.000000 0.000000\n0.000000 6.078977 0.000000\n-0.000000 0.000000 7.562970\nCe Rh O\n4 4 12\ndirect\n0.033188 0.409168 0.250000 Ce\n0.966813 0.590832 0.750000 Ce\n0.533188 0.090832 0.750000 Ce\n0.466812 0.909168 0.250000 Ce\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 -0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n0.500000 0.500000 0.500000 Rh\n0.363180 0.447406 0.750000 O\n0.636821 0.552595 0.250000 O\n0.828790 0.310929 0.558666 O\n0.171211 0.689071 0.441334 O\n0.328789 0.189071 0.441334 O\n0.671212 0.810930 0.941334 O\n0.671212 0.810930 0.558666 O\n0.828790 0.310929 0.941334 O\n0.136821 0.947406 0.750000 O\n0.328789 0.189071 0.058666 O\n0.171211 0.689071 0.058666 O\n0.863180 0.052594 0.250000 O\n",
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}
]
}