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{
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"results": [
{
"id": "jvasp-70932",
"created_at": "2022-09-04T14:36:07.034406Z",
"updated_at": "2022-09-04T14:36:07.034430Z",
"structure_string": "Be1 Nb1 Pt2\n1.0\n2.851882 -0.000000 0.000000\n0.000000 2.851882 -0.000000\n0.000000 0.000000 7.065998\nBe Nb Pt\n1 1 2\ndirect\n0.000000 0.000000 0.469901 Be\n0.500000 0.500000 0.723023 Nb\n0.000000 0.000000 0.002168 Pt\n0.500000 0.500000 0.304909 Pt\n",
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{
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"structure_string": "Mn6 O10 F2\n1.0\n5.083890 -0.018551 1.728808\n1.257019 4.926073 1.728808\n0.006822 0.005280 7.110268\nMn O F\n6 10 2\ndirect\n0.326139 0.326139 0.155344 Mn\n0.673402 0.673402 0.332531 Mn\n0.345105 0.345105 0.681273 Mn\n0.669280 0.669280 0.837476 Mn\n0.995888 0.995888 0.491738 Mn\n0.994016 0.994016 0.009649 Mn\n0.302519 0.692643 -0.000599 O\n0.692643 0.302519 -0.000599 O\n0.361278 0.971019 0.332674 O\n0.032045 0.638007 0.666045 O\n0.570160 0.570160 0.627599 O\n0.767524 0.767523 0.038905 O\n0.897186 0.897185 0.296622 O\n0.638007 0.032045 0.666045 O\n0.971019 0.361278 0.332674 O\n0.227503 0.227503 0.965862 O\n0.103877 0.103877 0.700501 F\n0.432409 0.432409 0.366267 F\n",
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"formula_full": "Mn6 O10 F2",
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"spacegroup": 8
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{
"id": "jvasp-123421",
"created_at": "2022-09-04T14:38:53.460984Z",
"updated_at": "2022-09-04T14:38:53.461014Z",
"structure_string": "Zr1 Pa1\n1.0\n1.593755 -2.760462 0.000000\n1.593755 2.760462 -0.000000\n0.000000 -0.000000 5.516317\nZr Pa\n1 1\ndirect\n0.333335 0.666668 0.750000 Zr\n0.666668 0.333335 0.250000 Pa\n",
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"spacegroup": 187
},
{
"id": "jvasp-42614",
"created_at": "2022-09-04T14:37:30.042217Z",
"updated_at": "2022-09-04T14:37:30.042243Z",
"structure_string": "Mn6 O10 F2\n1.0\n-4.592608 4.592608 2.906505\n-0.088494 4.505868 -2.909721\n-4.505868 0.088494 -2.909721\nMn O F\n6 10 2\ndirect\n0.846897 0.673704 0.673704 Mn\n0.666020 0.329239 0.329239 Mn\n0.319406 0.655532 0.655532 Mn\n0.165011 0.330379 0.330379 Mn\n0.509121 0.006504 0.006504 Mn\n0.991951 0.004205 0.004205 Mn\n-0.001470 0.695094 0.304696 O\n-0.001470 0.304696 0.695094 O\n0.667913 0.640341 0.030830 O\n0.333523 0.965871 0.363708 O\n0.367567 0.435198 0.435198 O\n0.960987 0.229842 0.229842 O\n0.702664 0.104468 0.104468 O\n0.333523 0.363708 0.965871 O\n0.667913 0.030830 0.640341 O\n0.042037 0.765891 0.765891 O\n0.299906 0.894894 0.894894 F\n0.628510 0.569597 0.569597 F\n",
"nsites": 18,
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"elements": [
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"density": 4.948552969254248,
"density_atomic": 0.1016672652456704,
"volume": 177.04813792821628,
"volume_molar": 5.923382266108963,
"formula_full": "Mn6 O10 F2",
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"formula_anonymous": "AB3C5",
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"spacegroup": 8
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{
"id": "jvasp-48003",
"created_at": "2022-09-04T14:35:45.504509Z",
"updated_at": "2022-09-04T14:35:45.504536Z",
"structure_string": "Mn6 O10 F2\n1.0\n5.337167 -0.007901 0.036343\n1.474180 5.162892 0.010604\n2.051783 1.461057 6.419030\nMn O F\n6 10 2\ndirect\n0.348828 0.333324 0.159425 Mn\n0.642902 0.695058 0.332661 Mn\n0.357098 0.304943 0.667338 Mn\n0.651172 0.666677 0.840574 Mn\n-0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.694119 0.306949 0.997839 O\n0.305881 0.693052 0.002160 O\n0.642852 0.018221 0.670085 O\n0.566485 0.561176 0.629714 O\n0.233563 0.231968 0.963700 O\n0.433515 0.438825 0.370285 O\n0.766438 0.768033 0.036299 O\n0.109422 0.089671 0.704118 O\n0.357149 0.981779 0.329914 O\n0.890578 0.910330 0.295881 O\n0.035211 0.603580 0.676891 F\n0.964789 0.396420 0.323108 F\n",
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"density_atomic": 0.10194663729570452,
"volume": 176.56295957844625,
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"formula_full": "Mn6 O10 F2",
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"spacegroup": 2
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{
"id": "jvasp-95497",
"created_at": "2022-09-04T14:36:01.127151Z",
"updated_at": "2022-09-04T14:36:01.127172Z",
"structure_string": "Na2 Tb2 Mn2 W2 O12\n1.0\n5.307674 0.000000 -0.022787\n0.000000 5.449575 0.000000\n0.015067 0.000000 7.687482\nTb Na Mn W O\n2 2 2 2 12\ndirect\n0.736846 0.780054 0.499155 Tb\n0.263154 0.280054 0.500845 Tb\n0.755675 0.691216 0.998177 Na\n0.244325 0.191215 0.001823 Na\n0.247927 0.722740 0.751731 Mn\n0.752073 0.222740 0.248268 Mn\n0.240510 0.723018 0.231510 W\n0.759490 0.223017 0.768489 W\n0.050411 0.429046 0.780259 O\n0.045376 0.428215 0.218976 O\n0.316561 0.738634 -0.003870 O\n0.545601 0.509659 0.694634 O\n0.683438 0.238634 0.003870 O\n0.537795 0.514795 0.305211 O\n0.949589 0.929047 0.219740 O\n0.462205 0.014794 0.694788 O\n0.841554 0.198228 0.501331 O\n0.954624 0.928215 0.781023 O\n0.454399 0.009659 0.305365 O\n0.158446 0.698228 0.498669 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 7.7171002596148695,
"density_atomic": 0.0899446539108133,
"volume": 222.3589633223945,
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"formula_full": "Na2 Tb2 Mn2 W2 O12",
"formula_reduced": "NaTbMnWO6",
"formula_anonymous": "ABCDE6",
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"spacegroup": 4
},
{
"id": "jvasp-120412",
"created_at": "2022-09-04T14:38:53.991911Z",
"updated_at": "2022-09-04T14:38:53.991941Z",
"structure_string": "Mn1 V4 Cu3 O12\n1.0\n5.941513 -0.000000 -2.100642\n-2.970756 5.145501 -2.100642\n-0.000000 -0.000000 6.301926\nMn V Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 V\n0.500000 0.000000 0.000000 V\n-0.000000 0.500000 0.000000 V\n0.499999 0.500000 0.500000 V\n0.500000 0.000000 0.500000 Cu\n-0.000000 0.500000 0.500000 Cu\n0.499999 0.500000 0.000000 Cu\n0.884450 0.701665 0.182786 O\n0.518879 0.701665 0.817215 O\n0.182785 0.481120 0.298335 O\n0.817214 0.115549 0.298335 O\n0.182785 0.884451 0.701666 O\n0.701665 0.182786 0.884452 O\n0.298335 0.182786 0.481121 O\n0.298334 0.817214 0.115549 O\n0.115549 0.298335 0.817215 O\n0.701664 0.817214 0.518880 O\n0.817214 0.518880 0.701666 O\n0.481120 0.298335 0.182786 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Cu-Mn-O-V",
"density": 5.52759119397715,
"density_atomic": 0.10380827583248017,
"volume": 192.6628666126278,
"volume_molar": 5.801214509831746,
"formula_full": "Mn1 V4 Cu3 O12",
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},
{
"id": "jvasp-34314",
"created_at": "2022-09-04T14:37:10.097600Z",
"updated_at": "2022-09-04T14:37:10.097625Z",
"structure_string": "Ho4 Hf4 O14\n1.0\n6.398544 -0.000000 3.694200\n2.132849 6.032604 3.694200\n0.000000 -0.000000 7.388401\nHo Hf O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Ho\n0.500000 0.500000 0.500000 Ho\n0.500000 0.500000 0.000000 Ho\n0.000000 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 Hf\n0.000000 0.000000 0.500000 Hf\n0.000000 0.500000 0.000000 Hf\n0.500000 0.000000 0.000000 Hf\n0.660896 0.089104 0.660896 O\n0.339104 0.910896 0.339104 O\n0.089104 0.089104 0.660896 O\n0.625000 0.625000 0.625000 O\n0.660896 0.660896 0.089104 O\n0.089104 0.660896 0.089104 O\n0.089104 0.660896 0.660896 O\n0.660896 0.089104 0.089104 O\n0.339104 0.339103 0.910896 O\n0.375000 0.375000 0.375000 O\n0.910896 0.339103 0.910897 O\n0.339104 0.910896 0.910896 O\n0.910896 0.910896 0.339104 O\n0.910896 0.339103 0.339104 O\n",
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"elements": [
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"density_atomic": 0.07714117397850723,
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"formula_full": "Ho4 Hf4 O14",
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"formula_anonymous": "A2B2C7",
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"spacegroup": 227
},
{
"id": "jvasp-44144",
"created_at": "2022-09-04T14:38:28.985098Z",
"updated_at": "2022-09-04T14:38:28.985122Z",
"structure_string": "Mn6 O10 F2\n1.0\n-4.575930 4.575930 2.915683\n-0.076726 4.498672 -2.915508\n-4.498672 0.076726 -2.915508\nMn O F\n6 10 2\ndirect\n0.820616 0.662333 0.662333 Mn\n0.666667 0.333333 0.333333 Mn\n0.345387 0.648083 0.648083 Mn\n0.166667 0.333333 0.333333 Mn\n0.512717 0.004335 0.004335 Mn\n0.987947 0.018585 0.018585 Mn\n0.000188 0.700329 0.307632 O\n0.000188 0.307632 0.700329 O\n0.666667 0.637287 0.029380 O\n0.333145 0.966337 0.359036 O\n0.374208 0.427882 0.427882 O\n0.631370 0.560579 0.560579 O\n0.959124 0.238786 0.238786 O\n0.333145 0.359036 0.966337 O\n0.666667 0.029380 0.637287 O\n0.701962 0.106088 0.106088 O\n0.298508 0.895452 0.895452 F\n0.034824 0.771217 0.771217 F\n",
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"formula_full": "Mn6 O10 F2",
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"spacegroup": 12
},
{
"id": "jvasp-39471",
"created_at": "2022-09-04T14:37:53.736929Z",
"updated_at": "2022-09-04T14:37:53.736946Z",
"structure_string": "Ir1 Ru1\n1.0\n1.372469 -2.377187 -0.000000\n1.372469 2.377187 0.000000\n0.000000 0.000000 4.363124\nIr Ru\n1 1\ndirect\n0.333333 0.666667 0.000000 Ir\n0.666667 0.333333 0.500000 Ru\n",
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},
{
"id": "jvasp-46728",
"created_at": "2022-09-04T14:36:13.317789Z",
"updated_at": "2022-09-04T14:36:13.317824Z",
"structure_string": "Li4 Mn3 Sb1 P4 O16\n1.0\n0.000000 4.741148 0.112594\n6.192952 0.000000 0.000000\n0.000000 -0.521391 -11.058572\nLi Mn Sb P O\n4 3 1 4 16\ndirect\n0.018137 0.256619 0.987636 Li\n0.018137 0.743380 0.987636 Li\n0.463791 0.759581 0.519720 Li\n0.463791 0.240419 0.519720 Li\n0.015566 0.000000 0.724391 Mn\n0.527797 0.000000 0.191286 Mn\n0.524086 0.500000 0.788514 Mn\n0.968914 0.500000 0.289736 Sb\n0.902980 0.000000 0.426285 P\n0.599700 0.000000 0.901783 P\n0.443454 0.500000 0.069954 P\n0.051025 0.500000 0.608986 P\n0.772539 0.806439 0.348666 O\n0.727506 0.500000 0.607239 O\n0.765254 0.500000 0.059256 O\n0.720933 0.198971 0.834595 O\n0.720933 0.801028 0.834595 O\n0.748924 0.000000 0.032050 O\n0.283331 0.500000 0.941210 O\n0.194148 0.299565 0.672991 O\n0.337444 0.291527 0.133344 O\n0.276385 0.000000 0.898396 O\n0.223947 0.000000 0.438321 O\n0.194148 0.700434 0.672991 O\n0.772539 0.193561 0.348666 O\n0.158836 0.500000 0.478391 O\n0.337444 0.708473 0.133344 O\n0.768314 0.000000 0.550306 O\n",
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],
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"volume": 324.3349351539265,
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"formula_full": "Li4 Mn3 Sb1 P4 O16",
"formula_reduced": "Li4Mn3Sb(PO4)4",
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},
{
"id": "jvasp-43905",
"created_at": "2022-09-04T14:36:56.688378Z",
"updated_at": "2022-09-04T14:36:56.688387Z",
"structure_string": "Mn6 O10 F2\n1.0\n-4.564340 4.564340 2.868660\n-0.101755 4.501123 -2.925922\n-4.501123 0.101755 -2.925922\nMn O F\n6 10 2\ndirect\n0.833333 0.666667 0.666667 Mn\n0.678158 0.338011 0.338011 Mn\n0.333333 0.666667 0.666667 Mn\n0.154617 0.323455 0.323455 Mn\n0.512051 0.009878 0.009878 Mn\n0.988509 0.995322 0.995322 Mn\n0.000132 0.692528 0.305166 O\n0.000132 0.305166 0.692528 O\n0.666535 0.640804 0.028168 O\n0.333333 0.969440 0.363893 O\n0.035681 0.769427 0.769427 O\n0.630987 0.563906 0.563906 O\n0.962703 0.227670 0.227670 O\n0.333333 0.363893 0.969440 O\n0.666535 0.028168 0.640804 O\n0.703964 0.105664 0.105664 O\n0.296792 0.915069 0.915069 F\n0.369876 0.418264 0.418264 F\n",
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],
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"formula_full": "Mn6 O10 F2",
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"spacegroup": 12
}
]
}