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{
"id": "jvasp-44705",
"created_at": "2022-09-04T14:36:06.259437Z",
"updated_at": "2022-09-04T14:36:06.259454Z",
"structure_string": "Mn1 Sb4 O12\n1.0\n5.029784 -0.000359 -0.002934\n-0.084683 5.478542 -0.040629\n-0.082203 -0.733516 7.474180\nMn Sb O\n1 4 12\ndirect\n0.001287 0.602785 0.708823 Mn\n0.000850 0.993181 0.029765 Sb\n0.495301 0.459884 0.490756 Sb\n0.989720 0.993074 0.497962 Sb\n0.508708 0.467364 0.018029 Sb\n0.682653 0.792910 0.082001 O\n0.841210 0.638321 0.473769 O\n0.169848 0.649415 0.931294 O\n0.667502 0.460634 0.752931 O\n0.345494 0.488579 0.258382 O\n0.170875 0.308904 0.602392 O\n0.881095 0.925580 0.756291 O\n0.319131 0.154972 0.937109 O\n0.160676 0.983319 0.270623 O\n0.288444 0.763864 0.596529 O\n0.828022 0.303668 0.090516 O\n0.649187 0.132137 0.443530 O\n",
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{
"id": "jvasp-15858",
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"structure_string": "Tb3 Al1 C1\n1.0\n5.331969 0.000000 -0.000000\n-0.000000 5.331969 -0.000000\n0.000000 0.000000 5.331969\nTb Al C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 C\n",
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{
"id": "jvasp-102205",
"created_at": "2022-09-04T14:36:34.133553Z",
"updated_at": "2022-09-04T14:36:34.133580Z",
"structure_string": "La2 Fe1 As2 Ru1 O2\n1.0\n4.076371 0.000000 0.000000\n0.000000 4.076371 0.000000\n-0.000000 -0.000000 8.603434\nLa Fe As Ru O\n2 1 2 1 2\ndirect\n0.500000 0.000000 0.857224 La\n0.000000 0.500000 0.142775 La\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.350852 As\n0.000000 0.500000 0.649148 As\n0.000000 0.000000 0.500000 Ru\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 8,
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"density_atomic": 0.055959103602183626,
"volume": 142.96154664793139,
"volume_molar": 10.76168196476436,
"formula_full": "La2 Fe1 As2 Ru1 O2",
"formula_reduced": "La2FeAs2RuO2",
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"spacegroup": 115
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{
"id": "jvasp-46356",
"created_at": "2022-09-04T14:38:02.148916Z",
"updated_at": "2022-09-04T14:38:02.148946Z",
"structure_string": "Ho2 V2 O7\n1.0\n3.334441 4.697835 0.194191\n-3.334441 4.697835 -0.194191\n-1.257195 0.000000 5.008604\nHo V O\n2 2 7\ndirect\n0.311202 0.311203 0.500000 Ho\n0.688796 0.688797 0.500000 Ho\n0.243048 0.756951 0.902692 V\n0.756950 0.243049 0.097307 V\n0.068323 0.607352 0.710135 O\n0.392647 0.931676 0.710135 O\n0.418026 0.581973 0.223072 O\n0.581972 0.418027 0.776927 O\n0.000000 0.000000 0.000000 O\n0.607351 0.068323 0.289864 O\n0.931676 0.392648 0.289864 O\n",
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"elements": [
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"formula_full": "Ho2 V2 O7",
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{
"id": "jvasp-85507",
"created_at": "2022-09-04T14:36:16.074506Z",
"updated_at": "2022-09-04T14:36:16.074531Z",
"structure_string": "Si4 H4 O10\n1.0\n-2.774550 8.452673 3.775737\n2.774550 -7.598499 1.165384\n2.774550 7.598499 -1.165384\nSi H O\n4 4 10\ndirect\n0.415944 -0.092756 0.687486 Si\n0.439113 0.947551 0.306198 Si\n0.939113 0.132915 -0.008439 Si\n-0.084058 0.728457 0.008701 Si\n0.627263 0.742345 0.465957 H\n0.382601 0.307404 0.567239 H\n0.882601 0.815362 0.575196 H\n0.127263 0.161307 0.384920 H\n0.525512 0.320384 0.462652 O\n0.453319 0.657129 0.542546 O\n0.608799 0.318310 0.934851 O\n0.634223 0.930992 0.057551 O\n0.469955 0.957044 0.487489 O\n0.108798 0.673948 0.790489 O\n0.969955 0.982466 0.012911 O\n0.025512 0.062858 0.705128 O\n0.134223 0.576672 0.203231 O\n-0.046680 -0.089226 0.296190 O\n",
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"spacegroup": 9
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{
"id": "jvasp-51698",
"created_at": "2022-09-04T14:38:18.530665Z",
"updated_at": "2022-09-04T14:38:18.530693Z",
"structure_string": "Dy4 V4 O14\n1.0\n6.154423 -0.000025 3.553309\n2.051471 5.802448 3.553274\n0.000021 -0.000028 7.106579\nDy V O\n4 4 14\ndirect\n0.499999 -0.000001 0.000000 Dy\n0.999999 -0.000000 1.000000 Dy\n0.999999 -0.000001 0.500001 Dy\n0.000001 0.500000 1.000000 Dy\n0.000003 0.500002 0.499999 V\n0.500001 0.500001 -0.000000 V\n0.499999 0.000001 0.499999 V\n0.500003 0.499998 0.500002 V\n0.421489 0.828510 0.421491 O\n0.578510 0.578512 0.171490 O\n0.421488 0.828512 0.828510 O\n0.828512 0.421487 0.828512 O\n0.578510 0.171487 0.171489 O\n0.874999 0.874997 0.875002 O\n0.171488 0.578512 0.171488 O\n0.171489 0.171488 0.578510 O\n0.124999 0.125002 0.124999 O\n0.828509 0.421488 0.421492 O\n0.171490 0.578512 0.578509 O\n0.578509 0.171489 0.578510 O\n0.828509 0.828510 0.421491 O\n0.421489 0.421486 0.828512 O\n",
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"elements": [
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],
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"density": 7.051969452810555,
"density_atomic": 0.08668878412769902,
"volume": 253.78138846188412,
"volume_molar": 6.946851107207755,
"formula_full": "Dy4 V4 O14",
"formula_reduced": "Dy2V2O7",
"formula_anonymous": "A2B2C7",
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"spacegroup": 227
},
{
"id": "jvasp-45244",
"created_at": "2022-09-04T14:38:06.297304Z",
"updated_at": "2022-09-04T14:38:06.297333Z",
"structure_string": "Li7 Mn5 O12\n1.0\n4.973055 0.141711 -0.099452\n2.298305 4.412386 0.099452\n-0.633622 1.011683 9.402109\nLi Mn O\n7 5 12\ndirect\n0.255123 0.255121 0.750000 Li\n0.170820 0.658210 0.510767 Li\n0.325065 0.846370 0.989404 Li\n0.658211 0.170818 0.989233 Li\n0.846372 0.325063 0.510597 Li\n0.744127 0.744126 0.250000 Li\n0.922828 0.922826 0.750000 Li\n0.416411 0.416410 0.250000 Mn\n0.510689 0.002753 0.508217 Mn\n0.579496 0.579494 0.750000 Mn\n0.072291 0.072290 0.250000 Mn\n0.002755 0.510688 0.991783 Mn\n0.771996 0.055051 0.370188 O\n0.940609 0.248573 0.872730 O\n0.248575 0.940608 0.627270 O\n0.154268 0.339946 0.373766 O\n0.339946 0.154268 0.126234 O\n0.299119 0.547321 0.871492 O\n0.547323 0.299118 0.628508 O\n0.427982 0.720907 0.360919 O\n0.720908 0.427981 0.139081 O\n0.648966 0.841094 0.880941 O\n0.841096 0.648964 0.619059 O\n0.055052 0.771995 0.129812 O\n",
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],
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"formula_full": "Li7 Mn5 O12",
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"spacegroup": 5
},
{
"id": "jvasp-47567",
"created_at": "2022-09-04T14:37:05.109937Z",
"updated_at": "2022-09-04T14:37:05.109954Z",
"structure_string": "Li4 Cr2 Co4 O12\n1.0\n4.925396 0.014593 0.000000\n2.462823 4.280208 0.000000\n0.000000 0.000000 9.781134\nLi Cr Co O\n4 2 4 12\ndirect\n0.500000 0.161576 0.750000 Li\n0.500000 0.338423 0.250000 Li\n0.500000 0.661577 0.750000 Li\n0.500000 0.838424 0.250000 Li\n0.000000 0.000000 0.000000 Cr\n-0.000000 0.500000 0.500000 Cr\n0.329251 0.335375 0.000000 Co\n0.329251 0.835375 0.500000 Co\n0.670749 0.164625 0.500000 Co\n0.670749 0.664625 0.000000 Co\n0.657991 0.338939 0.894852 O\n0.657991 0.003070 0.105147 O\n0.342010 0.661061 0.105147 O\n0.342010 0.496930 0.605147 O\n0.342010 0.161060 0.394852 O\n-0.000000 0.164764 0.600076 O\n0.342009 0.996930 0.894852 O\n-0.000001 0.664764 0.899923 O\n-0.000000 0.335236 0.100076 O\n0.657990 0.503070 0.394852 O\n-0.000001 0.835236 0.399924 O\n0.657990 0.838939 0.605147 O\n",
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"elements": [
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],
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"density": 4.513160963967161,
"density_atomic": 0.10687311271381876,
"volume": 205.85158831212172,
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"formula_full": "Li4 Cr2 Co4 O12",
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{
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"created_at": "2022-09-04T14:36:17.612058Z",
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"structure_string": "Ca1 Mn2 P2\n1.0\n1.895398 -3.282927 -0.000000\n1.895398 3.282927 0.000000\n-0.000000 -0.000000 6.758522\nCa Mn P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666668 0.616664 Mn\n0.666668 0.333333 0.383336 Mn\n0.666668 0.333333 0.719283 P\n0.333333 0.666668 0.280716 P\n",
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"formula_full": "Ca1 Mn2 P2",
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},
{
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"updated_at": "2022-09-04T14:38:10.049662Z",
"structure_string": "Ca1 Mn2 P2\n1.0\n1.895398 -3.282927 -0.000000\n1.895398 3.282927 0.000000\n-0.000000 -0.000000 6.758522\nCa Mn P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666668 0.616664 Mn\n0.666668 0.333333 0.383336 Mn\n0.666668 0.333333 0.719283 P\n0.333333 0.666668 0.280716 P\n",
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{
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},
{
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"updated_at": "2022-09-04T14:38:09.749540Z",
"structure_string": "Li2 V2 Cr2 O8\n1.0\n5.773213 0.000000 0.000000\n2.886607 5.076439 -0.027905\n2.886607 1.665837 4.795414\nLi V Cr O\n2 2 2 8\ndirect\n0.125101 0.124899 0.124898 Li\n0.874899 0.875103 0.875100 Li\n0.000001 0.500001 0.499999 V\n0.500000 0.500001 0.499999 V\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 -0.000001 Cr\n0.257322 0.264534 0.264533 O\n0.259304 0.264291 0.717103 O\n0.259304 0.717104 0.264289 O\n0.713612 0.264534 0.264533 O\n0.286389 0.735467 0.735465 O\n0.740697 0.735711 0.282895 O\n0.740697 0.282897 0.735709 O\n0.742679 0.735467 0.735465 O\n",
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"density_atomic": 0.09942524347483904,
"volume": 140.80931070128983,
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"formula_full": "Li2 V2 Cr2 O8",
"formula_reduced": "LiVCrO4",
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]
}