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{
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"results": [
{
"id": "jvasp-112455",
"created_at": "2022-09-04T14:38:40.717901Z",
"updated_at": "2022-09-04T14:38:40.717919Z",
"structure_string": "Li4 Ti3 Mn2 Nb3 O16\n1.0\n6.041565 -0.001021 0.067901\n3.083696 5.195318 0.067901\n0.057299 0.032616 9.952341\nLi Ti Mn Nb O\n4 3 2 3 16\ndirect\n0.663106 0.663106 0.898251 Li\n0.012211 0.012212 0.995985 Li\n0.008044 0.008044 0.496593 Li\n0.330913 0.330913 0.390720 Li\n0.832313 0.339133 0.216277 Ti\n0.339134 0.832313 0.216277 Ti\n0.162042 0.162043 0.721345 Ti\n0.672808 0.672808 0.496368 Mn\n0.336208 0.336208 0.002922 Mn\n0.185046 0.643230 0.710580 Nb\n0.833090 0.833090 0.214233 Nb\n0.643230 0.185046 0.710580 Nb\n0.160456 0.160456 0.107082 O\n0.690430 0.163522 0.102588 O\n0.313008 0.313009 0.593263 O\n0.026761 0.476831 0.826933 O\n0.476830 0.026762 0.826933 O\n0.844521 0.844521 0.593967 O\n0.511085 0.969197 0.330557 O\n0.517646 0.517646 0.325901 O\n0.318545 0.838520 0.604004 O\n-0.000391 -0.000390 0.816590 O\n0.003400 0.003401 0.317348 O\n0.667848 0.667847 0.104165 O\n0.481923 0.481924 0.851193 O\n0.838520 0.318545 0.604004 O\n0.969198 0.511085 0.330557 O\n0.163522 0.690430 0.102588 O\n",
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"formula_reduced": "Li4Ti3Mn2Nb3O16",
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{
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"structure_string": "Fe2 P2 H10 C2 O8\n1.0\n4.648983 -0.029304 -0.000177\n-0.034807 5.481228 0.000302\n-0.000540 0.000805 8.379631\nFe P H C O\n2 2 10 2 8\ndirect\n0.749477 0.506896 0.012013 Fe\n0.249478 0.006899 0.987996 Fe\n0.667586 0.005285 0.193083 P\n0.167487 0.505359 0.806922 P\n0.182522 0.622026 0.183939 H\n0.157785 0.663812 0.539475 H\n0.659170 0.162704 0.460835 H\n0.336350 -0.003533 0.410457 H\n0.600831 0.841658 0.795843 H\n0.161948 0.337311 0.543327 H\n0.682482 0.122008 0.816052 H\n0.836138 0.495802 0.589592 H\n0.101060 0.341632 0.204099 H\n0.661091 0.836179 0.456350 H\n0.571932 0.000086 0.400357 C\n0.071715 0.500480 0.599653 C\n0.518375 0.007322 0.799324 O\n0.521769 0.230831 0.110910 O\n0.018492 0.507256 0.200658 O\n0.021723 0.730852 0.889124 O\n0.018235 0.278023 0.889966 O\n0.494677 0.511599 0.818580 O\n0.994772 0.011525 0.181424 O\n0.518294 0.778011 0.110016 O\n",
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],
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"density_atomic": 0.11240041343486915,
"volume": 213.52234628484612,
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"formula_full": "Fe2 P2 H10 C2 O8",
"formula_reduced": "FePH5CO4",
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"spacegroup": 7
},
{
"id": "jvasp-54553",
"created_at": "2022-09-04T14:38:33.601582Z",
"updated_at": "2022-09-04T14:38:33.601600Z",
"structure_string": "Li2 Nb2 W2 O12\n1.0\n4.734553 -0.000000 -0.000000\n0.000000 4.734553 -0.000000\n-0.000000 0.000000 9.334051\nLi Nb W O\n2 2 2 12\ndirect\n0.500000 0.000000 0.421480 Li\n0.000000 0.500000 0.578519 Li\n0.500000 0.000000 0.091010 Nb\n0.000000 0.500000 0.908989 Nb\n0.000000 0.500000 0.272662 W\n0.500000 0.000000 0.727338 W\n0.304878 0.804877 0.918216 O\n0.804877 0.695122 0.081784 O\n0.195122 0.304878 0.081784 O\n0.714482 0.214483 0.230555 O\n0.285517 0.785517 0.230555 O\n0.701286 0.201287 0.604404 O\n0.298713 0.798713 0.604404 O\n0.695122 0.195122 0.918216 O\n0.798713 0.701286 0.395596 O\n0.214483 0.285517 0.769445 O\n0.785517 0.714482 0.769445 O\n0.201287 0.298713 0.395596 O\n",
"nsites": 18,
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"elements": [
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"formula_full": "Li2 Nb2 W2 O12",
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{
"id": "jvasp-18515",
"created_at": "2022-09-04T14:35:59.404972Z",
"updated_at": "2022-09-04T14:35:59.405002Z",
"structure_string": "Zr4 Co2 P2\n1.0\n0.000000 5.264393 0.004432\n3.658362 0.000000 0.000000\n0.000000 -2.584370 -6.970321\nZr Co P\n4 2 2\ndirect\n0.773804 0.750000 0.563255 Zr\n0.226195 0.250000 0.436745 Zr\n0.294152 0.750000 0.081555 Zr\n0.705847 0.250000 0.918445 Zr\n0.356494 0.750000 0.708078 Co\n0.643506 0.250000 0.291922 Co\n0.860408 0.750000 0.209230 P\n0.139591 0.250000 0.790771 P\n",
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"elements": [
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"volume": 134.19989501312608,
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{
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"created_at": "2022-09-04T14:36:32.752649Z",
"updated_at": "2022-09-04T14:36:32.752681Z",
"structure_string": "Cr3 S4\n1.0\n-0.000000 3.455890 0.000000\n6.041405 -0.000000 -0.167619\n-3.010243 -1.727945 -5.502302\nCr S\n3 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.735603 0.718780 0.471207 Cr\n0.264398 0.281220 0.528793 Cr\n0.633107 0.978130 0.266214 S\n0.366894 0.021871 0.733786 S\n0.123185 0.447983 0.246371 S\n0.876816 0.552017 0.753629 S\n",
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"volume": 116.62318530771158,
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"formula_full": "Cr3 S4",
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"formula_anonymous": "A3B4",
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"spacegroup": 12
},
{
"id": "jvasp-8213",
"created_at": "2022-09-04T14:38:06.444748Z",
"updated_at": "2022-09-04T14:38:06.444775Z",
"structure_string": "Cr3 S4\n1.0\n3.334826 0.000000 -0.906741\n-0.710527 5.403231 -2.613186\n-0.021889 -0.052052 6.505306\nCr S\n3 4\ndirect\n0.735601 0.718770 0.471200 Cr\n0.264399 0.281230 0.528800 Cr\n0.000000 0.000000 0.000000 Cr\n0.123187 0.447978 0.246374 S\n0.876813 0.552022 0.753626 S\n0.633104 0.978125 0.266208 S\n0.366896 0.021875 0.733792 S\n",
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"elements": [
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"formula_full": "Cr3 S4",
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},
{
"id": "jvasp-42476",
"created_at": "2022-09-04T14:36:52.414230Z",
"updated_at": "2022-09-04T14:36:52.414262Z",
"structure_string": "Cr6 S8\n1.0\n0.000000 6.045682 0.023595\n3.456824 0.000000 0.000000\n0.000000 -0.287277 -11.172783\nCr S\n6 8\ndirect\n-0.000007 0.000000 -0.000001 Cr\n0.500010 0.499999 0.500002 Cr\n0.516777 0.499999 0.235545 Cr\n0.016853 0.000000 0.735554 Cr\n0.983149 0.000000 0.264436 Cr\n0.483220 0.499999 0.764460 Cr\n0.675242 0.000000 0.123252 S\n0.175323 0.499999 0.623271 S\n0.154898 0.499999 0.133124 S\n0.654964 0.000000 0.633131 S\n0.345043 0.000000 0.366876 S\n0.845094 0.499999 0.866873 S\n0.824691 0.499999 0.376726 S\n0.324738 0.000000 0.876751 S\n",
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"formula_full": "Cr6 S8",
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},
{
"id": "jvasp-104706",
"created_at": "2022-09-04T14:36:55.567866Z",
"updated_at": "2022-09-04T14:36:55.567887Z",
"structure_string": "Os1 Ru1\n1.0\n2.744106 0.000000 0.000000\n-1.372053 2.376466 0.000000\n-0.000000 0.000000 4.334443\nOs Ru\n1 1\ndirect\n0.666668 0.333334 0.500000 Os\n0.333335 0.666668 -0.000000 Ru\n",
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"spacegroup": 187
},
{
"id": "jvasp-70706",
"created_at": "2022-09-04T14:36:08.038722Z",
"updated_at": "2022-09-04T14:36:08.038742Z",
"structure_string": "Be2 Pt1 W1\n1.0\n2.768793 0.000000 0.000000\n0.000000 2.768793 0.000000\n0.000000 0.000000 6.191231\nBe Pt W\n2 1 1\ndirect\n0.000000 0.000000 0.773913 Be\n0.000000 0.000000 0.226087 Be\n0.499999 0.499999 0.000000 Pt\n0.499999 0.499999 0.500000 W\n",
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},
{
"id": "jvasp-21001",
"created_at": "2022-09-04T14:37:42.136120Z",
"updated_at": "2022-09-04T14:37:42.136144Z",
"structure_string": "Ta6 Si7 Ni16\n1.0\n6.900336 -0.000000 3.983910\n2.300112 6.505699 3.983910\n-0.000000 -0.000000 7.967821\nTa Si Ni\n6 7 16\ndirect\n0.797872 0.202128 0.202128 Ta\n0.202128 0.202128 0.797872 Ta\n0.797872 0.202128 0.797872 Ta\n0.202128 0.797872 0.202128 Ta\n0.202128 0.797872 0.797872 Ta\n0.797872 0.797872 0.202128 Ta\n0.500000 0.500000 0.500000 Si\n0.500000 0.000000 0.500000 Si\n-0.000000 0.500000 0.000000 Si\n-0.000000 0.500000 0.500000 Si\n0.500000 0.500000 -0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.000000 -0.000000 Si\n0.833401 0.833401 0.499798 Ni\n0.166599 0.166599 0.166599 Ni\n0.616634 0.616634 0.616633 Ni\n0.383366 0.383366 0.849900 Ni\n0.383366 0.849900 0.383366 Ni\n0.616634 0.150100 0.616633 Ni\n0.150100 0.616634 0.616634 Ni\n0.616634 0.616634 0.150100 Ni\n0.833401 0.833401 0.833400 Ni\n0.166599 0.166599 0.500201 Ni\n0.166599 0.500201 0.166599 Ni\n0.500202 0.166599 0.166599 Ni\n0.833401 0.499799 0.833400 Ni\n0.499799 0.833401 0.833401 Ni\n0.849900 0.383366 0.383366 Ni\n0.383366 0.383366 0.383366 Ni\n",
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{
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"updated_at": "2022-09-04T14:38:51.455917Z",
"structure_string": "Mg1 C2\n1.0\n2.509075 0.382967 0.528782\n-0.608471 -5.202543 0.051718\n-0.757896 -0.436453 -2.451646\nMg C\n1 2\ndirect\n-0.078569 0.874937 -0.303118 Mg\n0.749737 0.366103 0.865174 C\n0.091648 0.383637 0.530315 C\n",
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},
{
"id": "jvasp-26866",
"created_at": "2022-09-04T14:37:59.036117Z",
"updated_at": "2022-09-04T14:37:59.036148Z",
"structure_string": "Ti12 Al8 Ni4 C4\n1.0\n7.025765 0.000000 4.056328\n2.341922 6.623955 4.056328\n0.000000 0.000000 8.112655\nTi Al Ni C\n12 8 4 4\ndirect\n0.937216 0.937218 0.312783 Ti\n0.062782 0.687218 0.687217 Ti\n0.312782 0.937218 0.937217 Ti\n0.687217 0.062783 0.687217 Ti\n0.687216 0.687218 0.062783 Ti\n0.062783 0.062783 0.687217 Ti\n0.062782 0.687218 0.062783 Ti\n0.312782 0.937218 0.312783 Ti\n0.937216 0.312783 0.937217 Ti\n0.937216 0.312783 0.312783 Ti\n0.312782 0.312783 0.937217 Ti\n0.687217 0.062783 0.062783 Ti\n0.708125 0.708127 0.708126 Al\n0.291873 0.291874 0.291874 Al\n0.708125 0.708127 0.375621 Al\n0.708125 0.375621 0.708126 Al\n0.375620 0.708127 0.708126 Al\n0.291873 0.624380 0.291874 Al\n0.624379 0.291874 0.291874 Al\n0.291873 0.291874 0.624379 Al\n-0.000000 0.500000 0.500000 Ni\n0.499999 0.500000 0.000000 Ni\n0.499999 0.500000 0.500000 Ni\n0.500000 -0.000000 0.500000 Ni\n0.500000 -0.000000 0.000000 C\n0.000000 0.000000 0.000000 C\n-0.000000 -0.000000 0.500000 C\n-0.000000 0.500000 0.000000 C\n",
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]
}