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{
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"results": [
{
"id": "jvasp-31802",
"created_at": "2022-09-04T14:37:06.594404Z",
"updated_at": "2022-09-04T14:37:06.594428Z",
"structure_string": "Re1 F6\n1.0\n-3.164074 -3.164074 3.164074\n-3.164074 3.164074 -3.164074\n3.164074 -3.164074 -3.164074\nRe F\n1 6\ndirect\n0.000000 0.000000 0.000000 Re\n0.704960 0.704960 0.000000 F\n0.295038 0.295038 0.000000 F\n0.704960 0.000000 0.704960 F\n0.295038 0.000000 0.295038 F\n0.000000 0.704960 0.704960 F\n0.000000 0.295038 0.295038 F\n",
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{
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"structure_string": "Rb4 C1 O4\n1.0\n5.476968 -0.780945 0.916131\n0.641518 5.495916 0.916595\n-1.013586 -0.780804 5.460026\nRb C O\n4 1 4\ndirect\n0.806520 0.374345 0.374338 Rb\n0.374364 0.806567 0.374376 Rb\n0.374396 0.374304 0.806531 Rb\n0.805836 0.805829 0.805813 Rb\n0.089395 0.089414 0.089406 C\n0.238863 0.940387 0.940383 O\n0.238269 0.238262 0.238275 O\n0.940351 0.238855 0.940351 O\n0.940344 0.940388 0.238871 O\n",
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"elements": [
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{
"id": "jvasp-91584",
"created_at": "2022-09-04T14:36:15.931072Z",
"updated_at": "2022-09-04T14:36:15.931101Z",
"structure_string": "Ga1 Si3 C3 N1\n1.0\n0.000000 -3.114638 0.000000\n-5.115212 0.000000 -0.021115\n0.001534 0.000000 -5.404853\nGa Si C N\n1 3 3 1\ndirect\n0.500000 0.509001 0.837281 Ga\n0.000000 0.008151 0.662689 Si\n0.000000 0.497601 0.334809 Si\n0.500000 0.001371 0.168873 Si\n0.500000 0.903937 0.830467 C\n0.500000 0.370617 0.184721 C\n0.000000 0.871649 0.335422 C\n0.000000 0.365774 0.645734 N\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "C-Ga-N-Si",
"density": 3.9342559550476133,
"density_atomic": 0.0929039920648398,
"volume": 86.11040087940052,
"volume_molar": 6.482111937447221,
"formula_full": "Ga1 Si3 C3 N1",
"formula_reduced": "GaSi3C3N",
"formula_anonymous": "ABC3D3",
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"spacegroup": 6
},
{
"id": "jvasp-41753",
"created_at": "2022-09-04T14:37:28.421840Z",
"updated_at": "2022-09-04T14:37:28.421865Z",
"structure_string": "Rb6 Ge2 P2 Se14\n1.0\n-7.264687 -0.013952 0.017203\n3.596363 9.052565 -0.101900\n-0.074617 -2.336050 -11.700006\nRb Ge P Se\n6 2 2 14\ndirect\n0.933089 0.474256 0.209169 Rb\n0.066913 0.525745 0.790831 Rb\n0.315143 0.125609 0.603558 Rb\n0.684858 0.874392 0.396443 Rb\n0.386551 0.196982 0.986229 Rb\n0.613451 0.803019 0.013771 Rb\n0.601961 0.560705 0.630664 Ge\n0.398041 0.439296 0.369336 Ge\n0.768857 0.072217 0.780482 P\n0.231145 0.927784 0.219518 P\n0.456490 0.922855 0.776461 Se\n0.543511 0.077146 0.223540 Se\n0.466989 0.522407 0.198628 Se\n0.533013 0.477594 0.801373 Se\n0.344465 0.609298 0.533076 Se\n0.655537 0.390703 0.466925 Se\n0.107570 0.772879 0.054350 Se\n0.925572 0.763772 0.632544 Se\n0.037200 0.064528 0.191874 Se\n0.962802 0.935473 0.808126 Se\n0.844664 0.172547 0.627759 Se\n0.892432 0.227122 0.945651 Se\n0.074429 0.236229 0.367456 Se\n0.155338 0.827454 0.372242 Se\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"P",
"Se"
],
"chemical_system": "Ge-P-Rb-Se",
"density": 3.9344217724278883,
"density_atomic": 0.03115066555945592,
"volume": 770.4490279410642,
"volume_molar": 19.332302061109424,
"formula_full": "Rb6 Ge2 P2 Se14",
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"formula_anonymous": "ABC3D7",
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"spacegroup": 2
},
{
"id": "jvasp-47891",
"created_at": "2022-09-04T14:36:49.779118Z",
"updated_at": "2022-09-04T14:36:49.779153Z",
"structure_string": "Li3 Ti2 Mn3 O10\n1.0\n4.983547 -0.100932 -0.078824\n0.896132 5.126522 0.015799\n2.079359 1.540059 7.241780\nLi Ti Mn O\n3 2 3 10\ndirect\n0.508630 0.761164 0.401739 Li\n-0.000000 0.500000 0.500000 Li\n0.491370 0.238836 0.598261 Li\n0.031577 0.878427 0.683954 Ti\n0.968423 0.121573 0.316047 Ti\n0.500000 0.000000 0.000000 Mn\n0.990723 0.314173 0.893134 Mn\n0.009278 0.685827 0.106867 Mn\n0.213622 0.125129 0.473617 O\n0.745784 0.192234 0.784985 O\n0.767248 0.432257 0.354308 O\n0.232753 0.567743 0.645692 O\n0.240255 0.002523 0.847156 O\n0.786379 0.874871 0.526383 O\n0.807672 0.658242 0.927337 O\n0.192329 0.341757 0.072664 O\n0.254216 0.807766 0.215015 O\n0.759746 -0.002523 0.152845 O\n",
"nsites": 18,
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"elements": [
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"Ti",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O-Ti",
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"density_atomic": 0.0966303872484169,
"volume": 186.27680704337544,
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"formula_full": "Li3 Ti2 Mn3 O10",
"formula_reduced": "Li3Ti2Mn3O10",
"formula_anonymous": "A2B3C3D10",
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{
"id": "jvasp-67993",
"created_at": "2022-09-04T14:36:17.117973Z",
"updated_at": "2022-09-04T14:36:17.117998Z",
"structure_string": "Na1 Be1 V2\n1.0\n-1.910131 1.910131 3.871680\n1.910131 -1.910131 3.871680\n1.910131 1.910131 -3.871680\nNa Be V\n1 1 2\ndirect\n0.750000 0.250000 0.500000 Na\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 V\n0.250000 0.750000 0.500000 V\n",
"nsites": 4,
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"elements": [
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"V"
],
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"density": 3.9345503757920195,
"density_atomic": 0.07079037926813883,
"volume": 56.504853362190005,
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"formula_full": "Na1 Be1 V2",
"formula_reduced": "NaBeV2",
"formula_anonymous": "ABC2",
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"spacegroup": 119
},
{
"id": "jvasp-103559",
"created_at": "2022-09-04T14:37:07.171450Z",
"updated_at": "2022-09-04T14:37:07.171478Z",
"structure_string": "Na2 Ag1 Rh1 F6\n1.0\n5.238118 -0.000000 3.024229\n1.746039 4.938545 3.024229\n-0.000000 -0.000000 6.048458\nNa Ag Rh F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750001 0.750000 Na\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Rh\n0.233599 0.233599 0.766402 F\n0.233599 0.766402 0.766401 F\n0.766401 0.766402 0.233599 F\n0.233599 0.766402 0.233599 F\n0.766402 0.233599 0.766402 F\n0.766402 0.233599 0.233599 F\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Ag-F-Na-Rh",
"density": 3.9346296969983676,
"density_atomic": 0.0639117983167971,
"volume": 156.4656333159668,
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"formula_full": "Na2 Ag1 Rh1 F6",
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"formula_anonymous": "ABC2D6",
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},
{
"id": "jvasp-34234",
"created_at": "2022-09-04T14:37:02.326804Z",
"updated_at": "2022-09-04T14:37:02.326840Z",
"structure_string": "Rb4 C1 O4\n1.0\n5.607779 0.023875 -0.021370\n-0.021630 5.607787 -0.021264\n0.023770 0.024069 5.607780\nRb C O\n4 1 4\ndirect\n0.488538 0.488556 0.488564 Rb\n0.488370 0.920339 0.920260 Rb\n0.920339 0.920266 0.488380 Rb\n0.920245 0.488376 0.920360 Rb\n0.204597 0.204587 0.204580 C\n0.353670 0.353688 0.055394 O\n0.353691 0.055400 0.353657 O\n0.055411 0.353653 0.353675 O\n0.055540 0.055536 0.055534 O\n",
"nsites": 9,
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"elements": [
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],
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"density": 3.934645272838103,
"density_atomic": 0.05103262762040093,
"volume": 176.3577620761612,
"volume_molar": 11.800569637124806,
"formula_full": "Rb4 C1 O4",
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"formula_anonymous": "AB4C4",
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"spacegroup": 215
},
{
"id": "jvasp-40476",
"created_at": "2022-09-04T14:37:49.846263Z",
"updated_at": "2022-09-04T14:37:49.846284Z",
"structure_string": "Li2 Cu2 S2\n1.0\n3.940261 0.000000 0.000000\n0.000000 3.940911 0.000000\n0.000000 0.000000 5.574274\nLi Cu S\n2 2 2\ndirect\n0.000000 0.749949 -0.080777 Li\n0.500000 0.250051 0.419223 Li\n0.000000 0.750059 0.419257 Cu\n0.500000 0.249940 0.919257 Cu\n0.000000 0.250018 0.669298 S\n0.500000 0.749982 0.169298 S\n",
"nsites": 6,
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"elements": [
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],
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"volume": 86.55854140536502,
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"formula_full": "Li2 Cu2 S2",
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"spacegroup": 216
},
{
"id": "jvasp-98786",
"created_at": "2022-09-04T14:35:58.182426Z",
"updated_at": "2022-09-04T14:35:58.182445Z",
"structure_string": "K4 Lu4 P8 O28\n1.0\n7.459404 0.023836 0.000000\n-2.397373 8.182151 0.000000\n0.000000 0.000000 10.721497\nK Lu P O\n4 4 8 28\ndirect\n0.175700 0.557294 0.182769 K\n0.824300 0.442706 0.817232 K\n0.175700 0.057294 0.317232 K\n0.824301 0.942706 0.682769 K\n0.769295 0.244440 0.404373 Lu\n0.230705 0.755561 0.595627 Lu\n0.230705 0.255561 0.904373 Lu\n0.769295 0.744440 0.095627 Lu\n0.452803 0.690300 0.853216 P\n0.452802 0.190300 0.646784 P\n0.547198 0.809700 0.353216 P\n0.547197 0.309701 0.146784 P\n0.861630 0.181785 0.098719 P\n0.138370 0.818215 0.901281 P\n0.861630 0.681785 0.401281 P\n0.138370 0.318215 0.598719 P\n0.924673 0.756009 0.272611 O\n0.648695 0.230537 0.590988 O\n0.333871 0.018745 0.615423 O\n0.666129 0.481255 0.115423 O\n0.646947 0.685473 0.423077 O\n0.139420 0.495333 0.591484 O\n0.353053 0.314528 0.576924 O\n0.463174 0.733367 0.714401 O\n0.646947 0.185473 0.076924 O\n0.075327 0.243992 0.727390 O\n0.924673 0.256009 0.227390 O\n0.648695 0.730537 0.909013 O\n0.860580 0.504668 0.408516 O\n0.976659 0.286008 0.994427 O\n0.351305 0.269463 0.090988 O\n0.666129 0.981255 0.384577 O\n0.023341 0.713992 0.005573 O\n0.139420 0.995333 0.908516 O\n0.536826 0.266633 0.285599 O\n0.023341 0.213992 0.494427 O\n0.075327 0.743992 0.772611 O\n0.351305 0.769463 0.409013 O\n0.353053 0.814528 0.923077 O\n0.976659 0.786008 0.505573 O\n0.333871 0.518745 0.884578 O\n0.860580 0.004668 0.091484 O\n0.463174 0.233367 0.785599 O\n0.536826 0.766633 0.214401 O\n",
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"formula_full": "K4 Lu4 P8 O28",
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},
{
"id": "jvasp-30404",
"created_at": "2022-09-04T14:37:59.750604Z",
"updated_at": "2022-09-04T14:37:59.750633Z",
"structure_string": "Ti2 Ge2 O6\n1.0\n7.044580 0.738110 0.499128\n4.774487 5.232131 0.499129\n4.774487 2.411767 4.669872\nTi Ge O\n2 2 6\ndirect\n0.162122 0.162122 0.162122 Ti\n0.837878 0.837878 0.837878 Ti\n0.393945 0.393944 0.393945 Ge\n0.606056 0.606056 0.606056 Ge\n0.102503 0.786806 0.445451 O\n0.445451 0.102503 0.786806 O\n0.786806 0.445450 0.102503 O\n0.213194 0.554550 0.897497 O\n0.554550 0.897497 0.213194 O\n0.897498 0.213194 0.554550 O\n",
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"density_atomic": 0.07031186072983672,
"volume": 142.2235152959978,
"volume_molar": 8.564900284945118,
"formula_full": "Ti2 Ge2 O6",
"formula_reduced": "TiGeO3",
"formula_anonymous": "ABC3",
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"spacegroup": 148
},
{
"id": "jvasp-22579",
"created_at": "2022-09-04T14:37:04.158967Z",
"updated_at": "2022-09-04T14:37:04.158992Z",
"structure_string": "K2 Mn2 F6\n1.0\n4.902699 0.000000 -2.806885\n-1.606994 4.631849 -2.806885\n-0.020760 -0.029176 5.648877\nK Mn F\n2 2 6\ndirect\n0.750000 0.250000 0.500001 K\n0.250001 0.750000 0.500001 K\n0.500001 0.500000 0.000001 Mn\n0.000000 0.000000 0.000000 Mn\n0.750001 0.750000 0.500002 F\n0.250000 0.250000 0.500001 F\n0.750807 0.250807 0.000001 F\n0.749194 0.750807 0.000002 F\n0.249194 0.749194 0.000001 F\n0.250807 0.249194 0.000001 F\n",
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],
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"formula_full": "K2 Mn2 F6",
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"spacegroup": 221
}
]
}