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{
"id": "jvasp-47811",
"created_at": "2022-09-04T14:37:00.734174Z",
"updated_at": "2022-09-04T14:37:00.734202Z",
"structure_string": "Li3 Fe3 Si3 O12\n1.0\n2.749404 -4.762108 0.000000\n2.749404 4.762108 -0.000000\n0.000000 -0.000000 11.437591\nLi Fe Si O\n3 3 3 12\ndirect\n0.000000 0.000000 0.833333 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.166667 Li\n0.500000 -0.000001 0.500000 Fe\n0.499999 0.499999 0.166667 Fe\n-0.000001 0.500000 0.833333 Fe\n0.500000 -0.000001 0.000000 Si\n0.499999 0.499999 0.666667 Si\n-0.000001 0.500000 0.333333 Si\n0.393522 0.221544 0.582954 O\n0.393523 0.171978 0.083713 O\n0.778455 0.606476 0.750379 O\n0.828020 0.606476 0.249621 O\n0.171978 0.393523 0.249621 O\n0.221543 0.828021 0.916287 O\n0.606476 0.828020 0.083713 O\n0.606476 0.778455 0.582954 O\n0.778455 0.171978 0.916287 O\n0.171978 0.778455 0.417046 O\n0.221544 0.393522 0.750379 O\n0.828021 0.221543 0.417046 O\n",
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{
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"updated_at": "2022-09-04T14:37:00.309305Z",
"structure_string": "Na1 Ti1 V1 S4\n1.0\n7.095234 -0.036991 0.969792\n6.279372 3.303513 0.969792\n-0.015496 -0.003785 5.898650\nNa Ti V S\n1 1 1 4\ndirect\n0.243908 0.243911 0.898631 Na\n0.493826 0.493827 0.492290 Ti\n0.991787 0.991787 0.016526 V\n0.892491 0.892493 0.704659 S\n0.387613 0.387614 0.205187 S\n0.592456 0.592458 0.810454 S\n0.098910 0.098911 0.305250 S\n",
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{
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"created_at": "2022-09-04T14:36:42.763630Z",
"updated_at": "2022-09-04T14:36:42.763648Z",
"structure_string": "Ga1 Ag1 Sn1 Se4\n1.0\n5.377381 0.080614 -4.359982\n-1.172184 5.248687 -4.359982\n-0.063610 -0.080614 6.922545\nGa Ag Sn Se\n1 1 1 4\ndirect\n0.500000 0.500000 0.000000 Ga\n0.250001 0.750001 0.500001 Ag\n0.750000 0.250000 0.500000 Sn\n0.659528 0.650163 0.520769 Se\n0.129394 0.138760 0.479232 Se\n0.861241 0.340472 0.990635 Se\n0.349838 0.870606 0.009366 Se\n",
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"formula_full": "Ga1 Ag1 Sn1 Se4",
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{
"id": "jvasp-32680",
"created_at": "2022-09-04T14:37:05.145751Z",
"updated_at": "2022-09-04T14:37:05.145771Z",
"structure_string": "Al4 Bi4 S4 Cl16\n1.0\n9.560944 -0.033282 -3.033233\n-5.129625 8.068440 -3.033231\n0.018356 0.033281 10.030544\nAl Bi S Cl\n4 4 4 16\ndirect\n0.976332 0.709229 0.124804 Al\n0.290771 0.415576 0.267104 Al\n0.584424 0.851528 0.875196 Al\n0.148472 0.023668 0.732896 Al\n0.932576 0.213301 0.406662 Bi\n0.474086 0.067424 0.280723 Bi\n0.806636 0.525914 0.593338 Bi\n0.786699 0.193363 0.719277 Bi\n0.566484 0.263615 0.585759 S\n0.677855 0.980726 0.414241 S\n0.019274 0.433515 0.697129 S\n0.736384 0.322145 0.302871 S\n0.589622 0.634055 0.777425 Cl\n0.085625 0.775398 0.582447 Cl\n0.187803 0.410378 0.044432 Cl\n0.365945 0.143371 0.955567 Cl\n0.192952 0.503179 0.417553 Cl\n0.496821 0.914375 0.689773 Cl\n0.920841 0.969098 0.744378 Cl\n0.224601 0.807048 0.310227 Cl\n0.224721 0.176464 0.255622 Cl\n0.196188 0.179780 0.621757 Cl\n0.558022 0.574432 0.378242 Cl\n0.030902 0.775279 0.951743 Cl\n0.820219 0.441977 0.016408 Cl\n0.425568 0.803812 0.983592 Cl\n0.823536 0.079159 0.048257 Cl\n0.856629 0.812197 0.222574 Cl\n",
"nsites": 28,
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"elements": [
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],
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{
"id": "jvasp-103726",
"created_at": "2022-09-04T14:36:43.140641Z",
"updated_at": "2022-09-04T14:36:43.140656Z",
"structure_string": "Ba1 La1 Fe1 O4\n1.0\n3.868557 0.225011 -6.375269\n-0.111687 3.873485 -6.375269\n-0.206256 -0.225011 7.454344\nBa La Fe O\n1 1 1 4\ndirect\n0.645196 0.645195 -0.000001 Ba\n0.357274 0.357273 -0.000001 La\n0.987571 0.987569 -0.000002 Fe\n0.838511 0.838510 -0.000001 O\n0.193309 0.193309 -0.000000 O\n0.489068 0.989067 0.499998 O\n0.989069 0.489068 0.499999 O\n",
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{
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"created_at": "2022-09-04T14:37:00.616361Z",
"updated_at": "2022-09-04T14:37:00.616403Z",
"structure_string": "Al1 In1 Cu1 O4\n1.0\n3.290679 0.034401 8.024322\n1.609339 2.870502 8.024322\n0.058027 0.034401 8.672655\nAl In Cu O\n1 1 1 4\ndirect\n0.584790 0.584788 0.584787 Al\n0.799717 0.799714 0.799714 In\n0.012489 0.012489 0.012489 Cu\n0.511727 0.511726 0.511725 O\n0.091557 0.091556 0.091556 O\n0.659486 0.659484 0.659483 O\n0.919904 0.919901 0.919901 O\n",
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"volume": 79.65620328803817,
"volume_molar": 6.852869551539153,
"formula_full": "Al1 In1 Cu1 O4",
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"formula_anonymous": "ABCD4",
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"spacegroup": 160
},
{
"id": "jvasp-47837",
"created_at": "2022-09-04T14:37:04.983581Z",
"updated_at": "2022-09-04T14:37:04.983604Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n5.566021 0.000000 0.000000\n0.000000 5.566021 0.000000\n0.000000 0.000000 7.837684\nLi Fe Si O\n4 4 4 16\ndirect\n0.768485 0.000000 0.750000 Li\n0.231515 0.000000 0.250000 Li\n0.000000 0.768485 0.500000 Li\n0.000000 0.231515 0.000000 Li\n0.500000 0.753926 0.500000 Fe\n0.753926 0.500000 0.750000 Fe\n0.246073 0.500000 0.250000 Fe\n0.500000 0.246073 0.000000 Fe\n0.251568 0.251568 0.625000 Si\n0.748432 0.251568 0.375000 Si\n0.251568 0.748432 0.874999 Si\n0.748432 0.748432 0.125000 Si\n0.004306 0.262215 0.739460 O\n0.995694 0.262215 0.260539 O\n0.497107 0.260209 0.752703 O\n0.502893 0.260209 0.247296 O\n0.260209 0.502893 0.002703 O\n0.739791 0.502893 -0.002703 O\n0.260209 0.497107 0.497296 O\n0.262215 0.004306 0.510539 O\n0.497107 0.739791 0.747296 O\n0.502893 0.739791 0.252703 O\n0.995694 0.737785 0.239460 O\n0.004306 0.737785 0.760539 O\n0.737785 0.995694 0.010540 O\n0.737785 0.004306 0.489460 O\n0.739791 0.497107 0.502703 O\n0.262215 0.995694 0.989460 O\n",
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{
"id": "jvasp-104980",
"created_at": "2022-09-04T14:36:58.976934Z",
"updated_at": "2022-09-04T14:36:58.976946Z",
"structure_string": "Hf1 Cr1 Cu1 S4\n1.0\n6.106691 0.025076 2.876719\n5.083413 3.383965 2.876719\n-0.000762 -0.000232 5.926536\nHf Cr Cu S\n1 1 1 4\ndirect\n0.245570 0.245572 0.745369 Hf\n0.756453 0.756458 0.262227 Cr\n0.498422 0.498425 0.480596 Cu\n0.375569 0.375571 0.277831 S\n0.619612 0.619616 0.701714 S\n0.871380 0.871385 0.812987 S\n0.132983 0.132984 0.219279 S\n",
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"volume": 121.72343110225212,
"volume_molar": 10.471937655541776,
"formula_full": "Hf1 Cr1 Cu1 S4",
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{
"id": "jvasp-47822",
"created_at": "2022-09-04T14:37:05.858759Z",
"updated_at": "2022-09-04T14:37:05.858778Z",
"structure_string": "Li2 Fe2 Si2 O8\n1.0\n2.755052 4.098498 -0.000000\n-2.755052 4.098498 -0.000000\n0.000000 -0.000000 6.150216\nLi Fe Si O\n2 2 2 8\ndirect\n0.169749 0.169749 0.250000 Li\n0.830252 0.830252 0.750001 Li\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.151950 0.151950 0.750001 Si\n0.848051 0.848051 0.250000 Si\n0.262367 0.786992 0.750001 O\n0.213008 0.737634 0.250000 O\n0.266033 0.266033 0.532748 O\n0.733967 0.733967 0.032748 O\n0.266033 0.266033 0.967253 O\n0.733967 0.733967 0.467252 O\n0.786992 0.262367 0.750001 O\n0.737634 0.213008 0.250000 O\n",
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{
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"updated_at": "2022-09-04T14:37:05.479358Z",
"structure_string": "Li1 Cu1 P1 O4\n1.0\n4.964368 -0.000000 -0.000001\n-2.482183 3.314886 2.482184\n0.000001 -0.000000 4.964368\nLi Cu P O\n1 1 1 4\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Cu\n0.750001 0.500001 0.750000 P\n0.698017 0.762981 0.435603 O\n0.801417 0.237020 0.698016 O\n0.435604 0.237020 0.064964 O\n0.064965 0.762981 0.801416 O\n",
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},
{
"id": "jvasp-102679",
"created_at": "2022-09-04T14:36:52.559914Z",
"updated_at": "2022-09-04T14:36:52.559939Z",
"structure_string": "Sr1 Ce1 V1 O4\n1.0\n3.708763 0.058823 -5.751534\n-0.272392 3.699214 -5.751534\n-0.053788 -0.058823 6.843404\nSr Ce V O\n1 1 1 4\ndirect\n0.643760 0.643759 -0.000000 Sr\n0.356396 0.356396 -0.000000 Ce\n-0.002302 -0.002302 0.000000 V\n0.996610 0.496610 0.499999 O\n0.496610 0.996610 0.499999 O\n0.834749 0.834747 -0.000001 O\n0.174174 0.174173 -0.000000 O\n",
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},
{
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"created_at": "2022-09-04T14:36:59.179077Z",
"updated_at": "2022-09-04T14:36:59.179086Z",
"structure_string": "Li4 Cu4 Te4 O16\n1.0\n6.147920 0.000000 0.000000\n0.000000 6.147920 -0.000000\n-0.000000 0.000000 8.630531\nLi Cu Te O\n4 4 4 16\ndirect\n0.000000 0.206175 0.000000 Li\n0.000000 0.793825 0.500000 Li\n0.206175 0.000000 0.250000 Li\n0.793825 0.000000 0.750000 Li\n0.248741 0.248741 0.625000 Cu\n0.248741 0.751259 0.875000 Cu\n0.751259 0.248741 0.375000 Cu\n0.751259 0.751259 0.125000 Cu\n0.776861 0.500000 0.750000 Te\n0.500000 0.776861 0.500000 Te\n0.500000 0.223139 0.000000 Te\n0.223139 0.500000 0.250000 Te\n0.736660 0.978346 0.502585 O\n0.736660 0.021654 0.997415 O\n0.733702 0.482777 0.984079 O\n0.733702 0.517223 0.515920 O\n0.517223 0.733702 0.734079 O\n0.517223 0.266298 0.765920 O\n0.482777 0.733702 0.265920 O\n0.021654 0.736660 0.252585 O\n0.266298 0.517223 0.484079 O\n0.266298 0.482777 0.015920 O\n0.263340 0.978346 0.497415 O\n0.263340 0.021654 0.002585 O\n0.978346 0.263340 0.752585 O\n0.021654 0.263340 0.247415 O\n0.482777 0.266298 0.234080 O\n0.978346 0.736660 0.747415 O\n",
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],
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"formula_full": "Li4 Cu4 Te4 O16",
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]
}