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"results": [
{
"id": "jvasp-45907",
"created_at": "2022-09-04T14:38:05.983683Z",
"updated_at": "2022-09-04T14:38:05.983714Z",
"structure_string": "Zn3 Ni7 O10\n1.0\n2.123017 -2.123017 -0.000000\n-2.123017 0.000000 -2.123017\n14.743700 14.743700 -12.620682\nZn Ni O\n3 7 10\ndirect\n0.999392 0.998784 0.998173 Zn\n0.100000 0.200000 0.300000 Zn\n0.200609 0.401217 0.601827 Zn\n0.299010 0.598020 0.897030 Ni\n0.900991 0.801981 0.702970 Ni\n0.500148 0.000294 0.500441 Ni\n0.600001 0.200000 0.800000 Ni\n0.699853 0.399707 0.099559 Ni\n0.399534 0.799070 0.198602 Ni\n0.800467 0.600932 0.401398 Ni\n0.949447 0.898893 0.848338 O\n0.349977 0.699955 0.049931 O\n0.049690 0.099378 0.149069 O\n0.749405 0.498809 0.248213 O\n0.450596 0.901192 0.351787 O\n0.150310 0.300622 0.450931 O\n0.850025 0.700047 0.550069 O\n0.551230 0.102457 0.653687 O\n0.250554 0.501108 0.751662 O\n0.648771 0.297542 0.946313 O\n",
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{
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"structure_string": "Li2 Mn3 Fe1 O8\n1.0\n4.975504 0.035632 2.907328\n1.685363 4.681502 2.907328\n0.050315 0.035632 5.762435\nLi Mn Fe O\n2 3 1 8\ndirect\n0.878782 0.878783 0.878787 Li\n0.503539 0.503539 0.503541 Li\n0.993390 0.501007 0.501010 Mn\n0.501007 0.993390 0.501010 Mn\n0.501007 0.501007 0.993394 Mn\n0.119168 0.119168 0.119168 Fe\n0.738561 0.738562 0.738565 O\n0.748864 0.748864 0.285272 O\n0.748864 0.285270 0.748867 O\n0.285270 0.748864 0.748867 O\n0.728440 0.249018 0.249020 O\n0.249018 0.728440 0.249020 O\n0.249018 0.249018 0.728442 O\n0.255059 0.255059 0.255060 O\n",
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{
"id": "jvasp-39814",
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"updated_at": "2022-09-04T14:37:55.636605Z",
"structure_string": "Yb2 Be26\n1.0\n0.000000 5.102681 5.102681\n5.102681 -0.000000 5.102681\n5.102681 5.102681 -0.000000\nYb Be\n2 26\ndirect\n0.249999 0.249999 0.249999 Yb\n0.750000 0.750000 0.750000 Yb\n0.210891 0.789110 0.564489 Be\n0.789108 0.435510 0.564491 Be\n0.435510 0.564491 0.789108 Be\n0.435509 0.789109 0.210892 Be\n0.789109 0.210892 0.435509 Be\n0.564489 0.210891 0.789110 Be\n0.564490 0.435511 0.210890 Be\n0.210890 0.564490 0.435511 Be\n0.789110 0.564489 0.210891 Be\n0.564491 0.789108 0.435510 Be\n0.210892 0.435509 0.789109 Be\n0.435511 0.210890 0.564490 Be\n0.710892 0.289109 0.935510 Be\n0.064489 0.710890 0.935512 Be\n0.935512 0.064489 0.710890 Be\n0.710890 0.064489 0.289111 Be\n0.289111 0.710890 0.064489 Be\n0.289109 0.935510 0.710892 Be\n0.064491 0.935510 0.289109 Be\n0.935510 0.289109 0.064491 Be\n0.289109 0.064491 0.935510 Be\n0.064489 0.289111 0.710890 Be\n0.710890 0.935512 0.064489 Be\n0.935510 0.710892 0.289109 Be\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 Be\n",
"nsites": 28,
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"elements": [
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},
{
"id": "jvasp-119720",
"created_at": "2022-09-04T14:38:52.288574Z",
"updated_at": "2022-09-04T14:38:52.288602Z",
"structure_string": "Li3 Mn5 O10\n1.0\n4.832032 0.005602 -1.007277\n-1.263590 4.623557 -1.804314\n0.051090 -0.035582 7.648920\nLi Mn O\n3 5 10\ndirect\n0.223755 0.927330 0.424302 Li\n0.500000 0.500000 0.500001 Li\n0.776243 0.072669 0.575697 Li\n0.107435 0.695817 0.692384 Mn\n-0.000001 0.500000 -0.000001 Mn\n0.692441 0.883796 0.895288 Mn\n0.307558 0.116206 0.104714 Mn\n0.892566 0.304185 0.307617 Mn\n0.658509 0.264845 0.055137 O\n0.779355 0.530195 0.762408 O\n0.545096 0.126302 0.334856 O\n0.454906 0.873701 0.665144 O\n0.036429 0.069258 0.855336 O\n0.341491 0.735154 0.944862 O\n0.119025 0.317433 0.539086 O\n0.880975 0.682566 0.460913 O\n0.220644 0.469804 0.237593 O\n0.963571 0.930744 0.144666 O\n",
"nsites": 18,
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],
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"density_atomic": 0.10537289537453688,
"volume": 170.82191711654968,
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"formula_full": "Li3 Mn5 O10",
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"formula_anonymous": "A3B5C10",
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"spacegroup": 2
},
{
"id": "jvasp-112753",
"created_at": "2022-09-04T14:38:43.370194Z",
"updated_at": "2022-09-04T14:38:43.370231Z",
"structure_string": "Mg8 Fe2 O10\n1.0\n2.982015 0.000092 -0.000241\n-0.000507 12.337891 -1.615350\n0.000432 -0.045351 5.165055\nMg Fe O\n8 2 10\ndirect\n-0.000002 0.202894 0.401009 Mg\n0.499996 0.202890 0.900999 Mg\n-0.000001 0.797108 0.598989 Mg\n0.499996 0.797106 0.098989 Mg\n0.500001 0.401001 0.300352 Mg\n0.000002 0.401000 0.800343 Mg\n0.500001 0.598998 0.699658 Mg\n0.000002 0.599001 0.199670 Mg\n0.000004 -0.000001 0.000014 Fe\n0.499988 0.000000 0.499971 Fe\n0.499999 0.302050 0.600721 O\n0.000002 0.500000 0.500007 O\n0.500002 0.500001 0.000008 O\n0.499999 0.893018 0.797610 O\n-0.000007 0.893013 0.297607 O\n0.499999 0.106987 0.202380 O\n-0.000006 0.106980 0.702379 O\n0.499999 0.697951 0.399284 O\n-0.000000 0.697951 0.899286 O\n0.000000 0.302050 0.100716 O\n",
"nsites": 20,
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"elements": [
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],
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"formula_full": "Mg8 Fe2 O10",
"formula_reduced": "Mg4FeO5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 1.18493192,
"spacegroup": 166
},
{
"id": "jvasp-17291",
"created_at": "2022-09-04T14:37:55.446425Z",
"updated_at": "2022-09-04T14:37:55.446444Z",
"structure_string": "Cu1 O1\n1.0\n2.593052 0.000000 1.497099\n0.864351 2.444753 1.497099\n-0.000000 -0.000000 2.994199\nCu O\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.499999 0.500001 O\n",
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"elements": [
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"spacegroup": 225
},
{
"id": "jvasp-101928",
"created_at": "2022-09-04T14:36:58.846737Z",
"updated_at": "2022-09-04T14:36:58.846766Z",
"structure_string": "Mg2 H4 C6 O8\n1.0\n4.349340 -0.122238 -1.311284\n-0.408976 5.762268 0.142442\n-0.216346 0.294734 7.655934\nMg H C O\n2 4 6 8\ndirect\n0.932487 0.160898 0.566865 Mg\n0.030616 0.229395 0.008079 Mg\n0.345899 0.603342 0.544064 H\n0.361719 0.786564 0.294557 H\n0.747528 0.663731 0.681504 H\n0.313726 0.704231 0.068283 H\n0.480459 0.716746 0.206957 C\n0.505451 0.653561 0.679880 C\n0.757864 0.886046 0.208413 C\n0.567209 0.475120 0.287254 C\n0.451976 0.473118 0.820152 C\n0.413827 0.894017 0.701004 C\n0.171655 0.377882 0.797249 O\n0.677564 0.420564 0.956699 O\n0.826231 0.454430 0.411029 O\n0.173559 0.909804 0.748026 O\n0.815769 0.931186 0.056310 O\n0.561182 0.074211 0.650885 O\n0.921388 0.974074 0.358643 O\n0.365022 0.303934 0.233101 O\n",
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},
{
"id": "jvasp-118497",
"created_at": "2022-09-04T14:38:45.112508Z",
"updated_at": "2022-09-04T14:38:45.112524Z",
"structure_string": "Si1 H1 O2\n1.0\n1.358175 0.784143 5.941672\n-1.358175 0.784143 5.941672\n-0.000000 -1.568286 5.941672\nSi H O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Si\n0.499998 0.499998 0.500004 H\n0.282761 0.282761 0.282765 O\n0.717235 0.717235 0.717244 O\n",
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},
{
"id": "jvasp-51711",
"created_at": "2022-09-04T14:38:15.062141Z",
"updated_at": "2022-09-04T14:38:15.062167Z",
"structure_string": "Sr1 Mg2 Fe1 H8\n1.0\n2.241091 -3.881685 0.000000\n2.241091 3.881685 0.000000\n-0.000000 -0.000000 6.547043\nSr Mg Fe H\n1 2 1 8\ndirect\n0.000000 0.000000 0.500000 Sr\n0.666667 0.333332 0.877000 Mg\n0.333332 0.666667 0.123000 Mg\n0.000000 0.000000 0.000000 Fe\n0.838247 0.161753 0.144690 H\n0.323506 0.161753 0.144690 H\n0.838246 0.676494 0.144690 H\n0.161753 0.838247 0.855309 H\n0.676494 0.838246 0.855309 H\n0.161753 0.323506 0.855309 H\n0.666667 0.333332 0.585853 H\n0.333332 0.666667 0.414147 H\n",
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{
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"created_at": "2022-09-04T14:36:01.398085Z",
"updated_at": "2022-09-04T14:36:01.398117Z",
"structure_string": "Sr1 Mg2 Fe1 H8\n1.0\n2.241091 -3.881685 -0.000000\n2.241091 3.881685 0.000000\n0.000000 -0.000000 6.547043\nSr Mg Fe H\n1 2 1 8\ndirect\n0.000000 0.000000 0.500000 Sr\n0.666667 0.333332 0.877000 Mg\n0.333332 0.666667 0.123000 Mg\n0.000000 0.000000 0.000000 Fe\n0.838247 0.161753 0.144690 H\n0.323506 0.161753 0.144690 H\n0.838246 0.676494 0.144690 H\n0.161753 0.838247 0.855309 H\n0.676494 0.838246 0.855309 H\n0.161753 0.323506 0.855309 H\n0.666667 0.333332 0.585853 H\n0.333332 0.666667 0.414147 H\n",
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{
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"created_at": "2022-09-04T14:37:02.656692Z",
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"structure_string": "Al4 Ni2 O8\n1.0\n5.733221 0.043304 0.012718\n2.904113 4.943463 0.012718\n2.889496 1.668251 4.718526\nAl Ni O\n4 2 8\ndirect\n0.131915 0.131915 0.118085 Al\n0.500000 0.499999 0.000001 Al\n0.500000 0.499999 0.500001 Al\n0.868085 0.868083 0.881917 Al\n0.500000 -0.000001 0.500001 Ni\n0.000000 0.499999 0.500001 Ni\n0.266166 0.266165 0.230935 O\n0.269758 0.738134 0.246055 O\n0.266166 0.266165 0.736734 O\n0.738135 0.269757 0.246055 O\n0.261865 0.730241 0.753947 O\n0.730243 0.261863 0.753947 O\n0.733834 0.733833 0.263267 O\n0.733834 0.733833 0.769067 O\n",
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{
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"updated_at": "2022-09-04T14:38:44.666170Z",
"structure_string": "H9 C13 S1 N1\n1.0\n3.576739 0.399095 -0.778507\n-1.124506 5.629725 0.228447\n-0.557361 0.301893 11.188456\nH C S N\n9 13 1 1\ndirect\n0.968465 0.085995 0.845197 H\n0.927548 0.127794 0.411808 H\n0.250964 0.279473 0.014523 H\n0.136553 0.800371 0.583768 H\n0.354521 0.859505 0.222654 H\n0.398511 0.803890 0.807434 H\n0.522729 0.791139 0.449293 H\n0.708564 0.082838 0.620381 H\n0.747525 0.191075 0.185985 H\n0.690499 0.322736 0.242695 C\n0.862866 0.241545 0.660196 C\n0.790654 0.285770 0.371314 C\n0.008088 0.243099 0.787633 C\n0.496580 0.602163 0.054346 C\n0.548240 0.534497 0.188028 C\n0.095708 0.642588 0.640723 C\n0.748132 0.457342 0.448215 C\n0.199851 0.446198 0.843178 C\n0.483486 0.700481 0.264703 C\n0.578831 0.661220 0.391698 C\n0.246632 0.646590 0.767384 C\n0.899855 0.442884 0.583687 C\n0.665712 0.871061 0.017263 S\n0.322786 0.436655 0.974021 N\n",
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}
]
}