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"results": [
{
"id": "jvasp-119101",
"created_at": "2022-09-04T14:38:34.505629Z",
"updated_at": "2022-09-04T14:38:34.505656Z",
"structure_string": "Er4 Te4 As4\n1.0\n4.057643 -0.000000 0.000000\n0.000000 7.496349 0.000000\n0.000000 -0.000000 9.854697\nEr Te As\n4 4 4\ndirect\n0.250000 0.733155 0.841863 Er\n0.749999 0.266845 0.158137 Er\n0.749999 0.766845 0.341863 Er\n0.250000 0.233155 0.658137 Er\n0.250000 0.582881 0.149018 Te\n0.749999 0.417119 0.850983 Te\n0.749999 0.917119 0.649018 Te\n0.250000 0.082881 0.350982 Te\n0.250000 0.599517 0.540338 As\n0.749999 0.400484 0.459662 As\n0.749999 0.900484 0.040338 As\n0.250000 0.099516 0.959662 As\n",
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{
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"created_at": "2022-09-04T14:36:01.090106Z",
"updated_at": "2022-09-04T14:36:01.090127Z",
"structure_string": "Na12 Fe2 O8\n1.0\n7.507571 0.000334 -0.000117\n0.000334 7.507708 0.000041\n-0.000077 0.000034 5.318117\nNa Fe O\n12 2 8\ndirect\n0.043109 0.543113 0.750007 Na\n0.956907 0.456902 0.249993 Na\n0.750006 0.750012 0.859017 Na\n0.750010 0.749999 0.359012 Na\n0.543094 0.456919 0.249999 Na\n0.543109 0.043117 0.250016 Na\n0.956918 0.043107 0.250010 Na\n0.456921 0.543096 0.750001 Na\n0.250009 0.250003 0.140982 Na\n0.250005 0.250016 0.640988 Na\n0.043097 0.956908 0.749989 Na\n0.456907 0.956899 0.749983 Na\n0.250004 0.750004 0.249986 Fe\n0.750011 0.250011 0.750013 Fe\n0.750009 0.497419 0.591253 O\n0.997429 0.250010 0.908734 O\n0.250008 0.997434 0.408726 O\n0.250006 0.502596 0.408742 O\n0.502591 0.250009 0.908741 O\n0.497425 0.750007 0.091263 O\n0.750008 0.002582 0.591269 O\n0.002586 0.750005 0.091271 O\n",
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"formula_full": "Na12 Fe2 O8",
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"spacegroup": 137
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{
"id": "jvasp-40484",
"created_at": "2022-09-04T14:38:05.282622Z",
"updated_at": "2022-09-04T14:38:05.282646Z",
"structure_string": "Tb6 Sb2 O14\n1.0\n-6.440623 -0.004211 0.002885\n0.919255 6.417258 0.001089\n-0.025472 -2.213333 -7.253344\nTb Sb O\n6 2 14\ndirect\n0.734735 0.463996 0.116987 Tb\n0.739411 0.475872 0.614873 Tb\n0.540641 0.995243 0.747894 Tb\n0.459358 0.004758 0.252106 Tb\n0.260588 0.524129 0.385127 Tb\n0.265263 0.536005 0.883013 Tb\n0.000000 0.000000 0.000000 Sb\n-0.000000 0.000000 0.500000 Sb\n0.291295 0.932968 0.953134 O\n0.071138 0.331911 0.613124 O\n0.100900 0.073448 0.269066 O\n0.441660 0.646356 0.166353 O\n0.452402 0.637980 0.655701 O\n0.547597 0.362021 0.344299 O\n0.708704 0.067033 0.046866 O\n0.899098 0.926553 0.730934 O\n0.928861 0.668090 0.386876 O\n0.075041 0.321285 0.044483 O\n0.924958 0.678716 0.955517 O\n0.711043 0.065242 0.484348 O\n0.558338 0.353645 0.833647 O\n0.288955 0.934759 0.515652 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 7.872596263820992,
"density_atomic": 0.07339695067876316,
"volume": 299.73997279924504,
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"formula_full": "Tb6 Sb2 O14",
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"spacegroup": 2
},
{
"id": "jvasp-36913",
"created_at": "2022-09-04T14:37:56.802046Z",
"updated_at": "2022-09-04T14:37:56.802071Z",
"structure_string": "Rb2 Ca2 Cl6\n1.0\n6.491024 -0.053030 3.627302\n2.103767 6.140876 3.627302\n-0.074868 -0.053030 7.435395\nRb Ca Cl\n2 2 6\ndirect\n0.255764 0.255764 0.255764 Rb\n0.755764 0.755765 0.755763 Rb\n0.005706 0.005706 0.005706 Ca\n0.505706 0.505707 0.505706 Ca\n0.255639 0.821522 0.689867 Cl\n0.821521 0.689868 0.255639 Cl\n0.689867 0.255640 0.821521 Cl\n0.189867 0.321522 0.755639 Cl\n0.755639 0.189868 0.321522 Cl\n0.321522 0.755640 0.189867 Cl\n",
"nsites": 10,
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{
"id": "jvasp-42628",
"created_at": "2022-09-04T14:36:10.906411Z",
"updated_at": "2022-09-04T14:36:10.906436Z",
"structure_string": "K6 Cr2 O9\n1.0\n-6.397993 -0.631253 -0.026102\n0.020504 0.020504 7.393203\n0.631253 6.397993 0.026102\nK Cr O\n6 2 9\ndirect\n0.513619 0.023970 0.486381 K\n0.505094 0.287844 -0.016966 K\n0.488270 0.796958 -0.002544 K\n0.030118 0.519387 -0.030118 K\n0.002544 0.796958 0.511730 K\n0.016967 0.287843 0.494905 K\n0.489395 0.501777 0.510605 Cr\n0.976468 0.985005 0.023532 Cr\n0.166182 0.858674 0.179801 O\n0.322275 0.564512 0.677724 O\n0.341674 0.373342 0.315468 O\n0.817127 0.079420 0.182873 O\n0.606156 0.669720 0.393844 O\n0.820199 0.858674 0.833818 O\n0.244367 0.053127 0.755633 O\n0.684531 0.373342 0.658326 O\n0.110518 0.151945 0.889483 O\n",
"nsites": 17,
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"elements": [
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"density_atomic": 0.056726517406902786,
"volume": 299.68347744773325,
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"formula_full": "K6 Cr2 O9",
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"formula_anonymous": "A2B6C9",
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"spacegroup": 8
},
{
"id": "jvasp-10784",
"created_at": "2022-09-04T14:38:13.517823Z",
"updated_at": "2022-09-04T14:38:13.517844Z",
"structure_string": "Tb8 Pt4\n1.0\n4.764537 0.000000 0.000000\n0.000000 7.143115 0.000000\n0.000000 0.000000 8.805070\nTb Pt\n8 4\ndirect\n0.750000 0.144785 0.082585 Tb\n0.250000 0.855216 0.917415 Tb\n0.750000 0.644785 0.417415 Tb\n0.250000 0.355215 0.582585 Tb\n0.750000 0.008363 0.668525 Tb\n0.250000 0.991638 0.331475 Tb\n0.750000 0.508363 0.831475 Tb\n0.250000 0.491637 0.168525 Tb\n0.750000 0.741209 0.091962 Pt\n0.250000 0.258792 0.908038 Pt\n0.750000 0.241208 0.408038 Pt\n0.250000 0.758792 0.591962 Pt\n",
"nsites": 12,
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"elements": [
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],
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"density": 11.369202710523057,
"density_atomic": 0.04004424290776433,
"volume": 299.6685448053077,
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"formula_full": "Tb8 Pt4",
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"formula_anonymous": "AB2",
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"spacegroup": 62
},
{
"id": "jvasp-91450",
"created_at": "2022-09-04T14:36:12.370662Z",
"updated_at": "2022-09-04T14:36:12.370681Z",
"structure_string": "Li4 H12 C4 O12\n1.0\n4.799316 0.000000 0.000000\n0.000000 6.281612 0.000000\n0.000000 0.000000 9.939717\nLi H C O\n4 12 4 12\ndirect\n0.727067 0.384447 0.550898 Li\n0.227066 0.884447 0.949103 Li\n0.227066 0.615553 0.449103 Li\n0.727067 0.115553 0.050898 Li\n0.626003 0.395822 0.870815 H\n0.621612 0.658024 0.208916 H\n0.850983 0.479862 0.980571 H\n0.126003 0.604178 0.129186 H\n0.621612 0.841976 0.708917 H\n0.121612 0.158024 0.291084 H\n0.121612 0.341976 0.791084 H\n0.350982 0.979862 0.519429 H\n0.126003 0.895822 0.629186 H\n0.850983 0.020138 0.480571 H\n0.350982 0.520137 0.019429 H\n0.626003 0.104178 0.370815 H\n0.743958 0.611383 0.299089 C\n0.243957 0.388617 0.700911 C\n0.743958 0.888617 0.799089 C\n0.243957 0.111383 0.200911 C\n0.006404 0.903332 0.786207 O\n0.506404 0.096667 0.213794 O\n0.176178 0.896112 0.530675 O\n0.676179 0.396113 0.969325 O\n0.112999 0.421626 0.592428 O\n0.612999 0.578373 0.407572 O\n0.176178 0.603887 0.030675 O\n0.006404 0.596667 0.286206 O\n0.612999 0.921626 0.907572 O\n0.506404 0.403332 0.713794 O\n0.676179 0.103887 0.469325 O\n0.112999 0.078374 0.092428 O\n",
"nsites": 32,
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"elements": [
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"H",
"C",
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],
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"density": 1.5510277877211538,
"density_atomic": 0.10678875056013679,
"volume": 299.6570315894799,
"volume_molar": 5.639302574861295,
"formula_full": "Li4 H12 C4 O12",
"formula_reduced": "LiH3CO3",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 2.9971825625,
"spacegroup": 33
},
{
"id": "jvasp-108843",
"created_at": "2022-09-04T14:38:27.830672Z",
"updated_at": "2022-09-04T14:38:27.830701Z",
"structure_string": "K3 Mo1 Cl6\n1.0\n6.504731 -0.000000 3.755508\n2.168244 6.132719 3.755508\n-0.000000 -0.000000 7.511016\nK Mo Cl\n3 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 K\n0.000000 0.000000 0.000000 Mo\n0.770506 0.229493 0.229494 Cl\n0.229493 0.229493 0.770507 Cl\n0.229493 0.770507 0.770508 Cl\n0.229493 0.770507 0.229494 Cl\n0.770506 0.229493 0.770507 Cl\n0.770506 0.770507 0.229494 Cl\n",
"nsites": 10,
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"elements": [
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],
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"density": 2.3606390263054546,
"density_atomic": 0.03337481797840459,
"volume": 299.62710228024525,
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"formula_full": "K3 Mo1 Cl6",
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"formula_anonymous": "AB3C6",
"energy_above_hull": 0.2979604305,
"spacegroup": 225
},
{
"id": "jvasp-21669",
"created_at": "2022-09-04T14:38:35.237685Z",
"updated_at": "2022-09-04T14:38:35.237709Z",
"structure_string": "Ca4 Ag4 Sb4\n1.0\n4.588595 0.000000 0.000000\n0.000000 7.687705 0.000000\n0.000000 0.000000 8.493744\nCa Ag Sb\n4 4 4\ndirect\n0.749999 0.476903 0.805336 Ca\n0.250000 0.523096 0.194663 Ca\n0.250000 0.023097 0.305337 Ca\n0.749999 0.976903 0.694663 Ca\n0.749999 0.859776 0.064209 Ag\n0.749999 0.359777 0.435791 Ag\n0.250000 0.140223 0.935791 Ag\n0.250000 0.640223 0.564209 Ag\n0.749999 0.745703 0.385319 Sb\n0.250000 0.254296 0.614681 Sb\n0.749999 0.245704 0.114681 Sb\n0.250000 0.754296 0.885319 Sb\n",
"nsites": 12,
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"elements": [
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],
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"density": 5.97894301574247,
"density_atomic": 0.040050287812363555,
"volume": 299.62331497392114,
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"formula_full": "Ca4 Ag4 Sb4",
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},
{
"id": "jvasp-119466",
"created_at": "2022-09-04T14:38:33.724031Z",
"updated_at": "2022-09-04T14:38:33.724056Z",
"structure_string": "Hf4 Cr8 Si10\n1.0\n6.894786 -0.006384 -6.094302\n-0.600598 4.714926 -7.879554\n0.004892 0.006384 9.202096\nHf Cr Si\n4 8 10\ndirect\n0.737770 0.358491 0.379280 Hf\n0.262230 0.641509 0.620722 Hf\n0.979213 0.858492 0.120724 Hf\n0.020787 0.141509 0.879278 Hf\n0.189908 0.438167 0.751741 Cr\n0.686426 0.938167 0.748261 Cr\n0.313574 0.061833 0.251741 Cr\n0.810092 0.561834 0.248261 Cr\n0.692176 0.942177 0.250002 Cr\n0.692176 0.442177 0.750001 Cr\n0.307824 0.557824 0.250001 Cr\n0.307824 0.057823 0.750000 Cr\n0.361748 0.935398 0.426352 Si\n0.418997 0.210608 0.208389 Si\n0.581003 0.789393 0.791613 Si\n0.002219 0.710608 0.291612 Si\n0.997782 0.289393 0.708390 Si\n-0.000000 0.250000 0.250000 Si\n-0.000000 0.750000 0.750001 Si\n0.509047 0.435398 0.073650 Si\n0.490953 0.564602 0.926352 Si\n0.638252 0.064602 0.573650 Si\n",
"nsites": 22,
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],
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"density": 7.818744583361195,
"density_atomic": 0.0734260465850777,
"volume": 299.62119742493445,
"volume_molar": 8.201641025330476,
"formula_full": "Hf4 Cr8 Si10",
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"formula_anonymous": "A2B4C5",
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},
{
"id": "jvasp-13378",
"created_at": "2022-09-04T14:36:36.808399Z",
"updated_at": "2022-09-04T14:36:36.808420Z",
"structure_string": "Li4 Cd2 Cl8\n1.0\n7.495297 0.100750 0.010703\n3.834901 6.642243 -0.000000\n3.785473 2.242618 6.068823\nLi Cd Cl\n4 2 8\ndirect\n0.141364 0.108636 0.141364 Li\n-0.000000 0.500000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n0.858636 0.891365 0.858635 Li\n0.500000 0.000000 0.499999 Cd\n0.500000 0.500000 0.499999 Cd\n0.252939 0.264718 0.252939 Cl\n0.245442 0.254227 0.746105 Cl\n0.252939 0.729404 0.252939 Cl\n0.746106 0.254227 0.245441 Cl\n0.253895 0.745773 0.754557 Cl\n0.747061 0.270597 0.747060 Cl\n0.754558 0.745773 0.253894 Cl\n0.747061 0.735282 0.747060 Cl\n",
"nsites": 14,
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"elements": [
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],
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"volume": 299.61804045994796,
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"formula_full": "Li4 Cd2 Cl8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 74
},
{
"id": "jvasp-35199",
"created_at": "2022-09-04T14:38:13.200983Z",
"updated_at": "2022-09-04T14:38:13.200995Z",
"structure_string": "Sr3 Ge2 B6 O16\n1.0\n-5.037072 0.012261 -0.002423\n-0.043006 -7.355251 -0.035900\n1.893656 1.958266 8.097154\nSr Ge B O\n3 2 6 16\ndirect\n0.096795 0.094724 0.741665 Sr\n0.903205 0.905275 0.258335 Sr\n-0.000000 0.500000 0.500000 Sr\n0.700652 0.313062 0.052289 Ge\n0.299348 0.686938 0.947711 Ge\n0.730371 0.760076 0.804771 B\n0.269629 0.239923 0.195229 B\n0.539636 0.409915 0.739546 B\n0.540967 0.186796 0.459396 B\n0.459033 0.813204 0.540603 B\n0.460363 0.590085 0.260453 B\n0.264025 0.682431 0.147852 O\n0.029728 0.810468 0.858135 O\n0.970272 0.189531 0.141865 O\n0.669542 0.566654 0.704390 O\n0.330458 0.433346 0.295610 O\n0.735975 0.317568 0.852148 O\n0.293064 0.462851 0.809325 O\n0.186075 0.822180 0.512658 O\n0.410549 0.271413 0.583975 O\n0.589451 0.728586 0.416025 O\n0.813925 0.177820 0.487342 O\n0.382467 0.202712 0.044178 O\n0.376770 0.108814 0.301190 O\n0.623229 0.891186 0.698810 O\n0.706936 0.537148 0.190675 O\n0.617533 0.797287 0.955822 O\n",
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"elements": [
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"formula_full": "Sr3 Ge2 B6 O16",
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}
]
}