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{
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"results": [
{
"id": "mp-1275879",
"created_at": "2022-09-04T14:44:57.794825Z",
"structure_string": "Li6 Ti2 V4 O12\n1.0\n5.973043 -0.009912 -0.002875\n1.482299 -6.493646 0.116823\n2.926545 1.416392 -5.894625\nLi Ti V O\n6 2 4 12\ndirect\n0.746774 0.334806 0.839561 Li\n0.248157 0.335068 0.838818 Li\n0.753122 0.995565 0.501629 Li\n0.252725 0.995409 0.501452 Li\n0.253388 0.669654 0.161039 Li\n0.753543 0.669560 0.161111 Li\n0.995717 0.340722 0.342674 Ti\n0.496248 0.340579 0.341652 Ti\n0.001529 0.667343 0.666058 V\n0.003899 0.991866 0.993221 V\n0.501803 0.667622 0.666272 V\n0.503915 0.991550 0.993131 V\n0.118769 0.019435 0.240381 O\n0.619101 0.019119 0.240291 O\n0.883934 0.649090 0.408926 O\n0.384062 0.648863 0.409247 O\n0.626026 0.673097 0.915839 O\n0.126136 0.673482 0.915477 O\n0.875506 0.002751 0.760745 O\n0.375402 0.002613 0.760850 O\n0.139021 0.330936 0.561284 O\n0.638645 0.331347 0.561583 O\n0.363658 0.324959 0.108823 O\n0.863273 0.324972 0.108929 O\n",
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"formula_full": "Li6 Ti2 V4 O12",
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"spacegroup": 8
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{
"id": "mp-1179756",
"created_at": "2022-09-04T14:44:57.796232Z",
"structure_string": "Rb2 Sb6 S10 O2\n1.0\n9.407985 0.192119 -1.577901\n-1.619755 8.985057 -0.058043\n0.453173 -0.284669 7.748110\nRb Sb S O\n2 6 10 2\ndirect\n0.842876 0.884812 0.846162 Rb\n0.157124 0.115188 0.153838 Rb\n0.598918 0.342169 0.648004 Sb\n0.401082 0.657831 0.351996 Sb\n0.840208 0.509888 0.329595 Sb\n0.159792 0.490112 0.670405 Sb\n0.625575 0.087408 0.272051 Sb\n0.374425 0.912592 0.727949 Sb\n0.690817 0.106908 0.594489 S\n0.309183 0.893092 0.405511 S\n0.838162 0.513316 0.651836 S\n0.161838 0.486684 0.348164 S\n0.543881 0.362980 0.332691 S\n0.456119 0.637020 0.667309 S\n0.833394 0.179472 0.160381 S\n0.166606 0.820528 0.839619 S\n0.864008 0.785267 0.351775 S\n0.135992 0.214733 0.648225 S\n0.058846 0.160834 0.803911 O\n0.941154 0.839166 0.196089 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "O-Rb-S-Sb",
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"density_atomic": 0.03017020916721634,
"volume": 662.9055797774339,
"volume_molar": 19.960553560045586,
"formula_full": "Rb2 Sb6 S10 O2",
"formula_reduced": "RbSb3S5O",
"formula_anonymous": "ABC3D5",
"energy": -86.72008395999998,
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"updated_at": "2021-11-28T01:36:42.940000Z",
"spacegroup": 2
},
{
"id": "mp-1030319",
"created_at": "2022-09-04T14:44:57.799261Z",
"structure_string": "Te8 Mo4\n1.0\n1.779355 -3.081934 0.000000\n1.779355 3.081934 0.000000\n0.000000 0.000000 40.693290\nTe Mo\n8 4\ndirect\n0.333333 0.666667 0.861247 Te\n0.333333 0.666667 0.238377 Te\n0.666667 0.333333 0.672682 Te\n0.666667 0.333333 0.049812 Te\n0.666667 0.333333 0.761623 Te\n0.666667 0.333333 0.138753 Te\n0.333333 0.666667 0.950188 Te\n0.333333 0.666667 0.327318 Te\n0.333333 0.666667 0.717153 Mo\n0.333333 0.666667 0.094283 Mo\n0.666667 0.333333 0.905717 Mo\n0.666667 0.333333 0.282847 Mo\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Te",
"Mo"
],
"chemical_system": "Mo-Te",
"density": 5.225774405192369,
"density_atomic": 0.0268870100748555,
"volume": 446.31217701749205,
"volume_molar": 22.397956274178117,
"formula_full": "Te8 Mo4",
"formula_reduced": "Te2Mo",
"formula_anonymous": "AB2",
"energy": -75.20950652,
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"updated_at": "2021-11-28T01:36:44.632000Z",
"spacegroup": 164
},
{
"id": "mp-572292",
"created_at": "2022-09-04T14:44:57.799561Z",
"structure_string": "Fe4 Co4 P4 O16 F4\n1.0\n3.253164 6.565697 0.000000\n-3.253164 6.565697 0.000000\n0.000000 4.724285 8.743015\nFe Co P O F\n4 4 4 16 4\ndirect\n0.498792 0.082425 0.645970 Fe\n0.793896 0.580323 0.502111 Fe\n0.082425 0.498792 0.145970 Fe\n0.580323 0.793896 0.002111 Fe\n0.173520 0.651394 0.627709 Co\n0.897655 0.107710 0.780044 Co\n0.107710 0.897655 0.280044 Co\n0.651394 0.173520 0.127709 Co\n0.078655 0.274889 0.945109 P\n0.274889 0.078655 0.445109 P\n0.621409 0.428315 0.332459 P\n0.428315 0.621409 0.832459 P\n0.497892 0.788614 0.828053 O\n0.913959 0.216853 0.937169 O\n0.628959 0.452636 0.724610 O\n0.199688 0.769868 0.775309 O\n0.314589 0.233148 0.281961 O\n0.935886 0.505306 0.003091 O\n0.769868 0.199688 0.275309 O\n0.389754 0.478310 0.999146 O\n0.076111 0.233313 0.561009 O\n0.478310 0.389754 0.499146 O\n0.452636 0.628959 0.224610 O\n0.216853 0.913959 0.437169 O\n0.233313 0.076111 0.061009 O\n0.788614 0.497892 0.328053 O\n0.505306 0.935886 0.503091 O\n0.233148 0.314589 0.781961 O\n0.703675 0.984291 0.990058 F\n0.797036 0.961131 0.699490 F\n0.984291 0.703675 0.490058 F\n0.961131 0.797036 0.199490 F\n",
"nsites": 32,
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"elements": [
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"Co",
"P",
"O",
"F"
],
"chemical_system": "Co-F-Fe-O-P",
"density": 4.068068951653687,
"density_atomic": 0.08567852175919961,
"volume": 373.48917024894916,
"volume_molar": 7.0287636111711755,
"formula_full": "Fe4 Co4 P4 O16 F4",
"formula_reduced": "FeCoPO4F",
"formula_anonymous": "ABCDE4",
"energy": -243.37265587,
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"updated_at": "2021-11-28T01:36:46.892000Z",
"spacegroup": 9
},
{
"id": "mp-1520691",
"created_at": "2022-09-04T14:44:57.804832Z",
"structure_string": "Eu2 Hf1 Zr1 O6\n1.0\n0.000000 -4.161505 -4.161505\n4.161505 -0.000000 -4.161505\n4.161505 -4.161505 -0.000000\nEu Hf Zr O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n-0.000000 0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 Zr\n0.751900 0.248100 0.248100 O\n0.248100 0.751900 0.751900 O\n0.751900 0.248100 0.751900 O\n0.248100 0.751900 0.248100 O\n0.751900 0.751900 0.248100 O\n0.248100 0.248100 0.751900 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Eu",
"Hf",
"Zr",
"O"
],
"chemical_system": "Eu-Hf-O-Zr",
"density": 7.71450721482551,
"density_atomic": 0.06937751532434462,
"volume": 144.13891810984174,
"volume_molar": 8.680248538515801,
"formula_full": "Eu2 Hf1 Zr1 O6",
"formula_reduced": "Eu2HfZrO6",
"formula_anonymous": "ABC2D6",
"energy": -105.10259598000002,
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"updated_at": "2021-11-28T01:36:48.185000Z",
"spacegroup": 225
},
{
"id": "mp-1175953",
"created_at": "2022-09-04T14:44:57.859038Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.911096 0.000000 0.000000\n1.450502 6.272843 0.000000\n1.912762 0.108594 7.640744\nLi Mn Co O\n9 2 5 16\ndirect\n0.074997 0.133731 0.621762 Li\n0.811910 0.621382 0.127137 Li\n0.548611 0.129893 0.619857 Li\n0.940682 0.862471 0.385004 Li\n0.689591 0.384654 0.867676 Li\n0.434954 0.861641 0.385643 Li\n0.314073 0.622808 0.131074 Li\n0.180505 0.384298 0.860771 Li\n0.246853 0.502669 0.502397 Li\n0.004666 0.998587 0.998835 Mn\n0.620882 0.252981 0.254976 Mn\n0.746021 0.499854 0.502276 Co\n0.505670 0.998913 0.000209 Co\n0.370071 0.750584 0.743921 Co\n0.125349 0.252355 0.258067 Co\n0.881458 0.746908 0.745313 Co\n0.275001 0.052394 0.819588 O\n0.016719 0.537696 0.316757 O\n0.795412 0.042205 0.834992 O\n0.135828 0.813830 0.575115 O\n0.898873 0.293084 0.065144 O\n0.641323 0.796156 0.567496 O\n0.534842 0.543603 0.305584 O\n0.417938 0.289948 0.083892 O\n0.830382 0.204367 0.420156 O\n0.602214 0.713584 0.927870 O\n0.359592 0.183308 0.422854 O\n0.737272 0.949776 0.181192 O\n0.479577 0.456095 0.683940 O\n0.209580 0.961299 0.167917 O\n0.112299 0.701828 0.937104 O\n0.956859 0.457097 0.685480 O\n",
"nsites": 32,
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],
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"density": 4.237602295078532,
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"volume": 283.31402860430137,
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"formula_full": "Li9 Mn2 Co5 O16",
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"energy": -208.71536437,
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{
"id": "mp-1207903",
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"structure_string": "V6 Pb10 O24 F2\n1.0\n5.149963 -8.919997 0.000000\n5.149963 8.919997 0.000000\n0.000000 0.000000 7.546540\nV Pb O F\n6 10 24 2\ndirect\n0.399152 0.028251 0.750000 V\n0.600848 0.971749 0.250000 V\n0.971749 0.370900 0.750000 V\n0.028251 0.629100 0.250000 V\n0.629100 0.600848 0.750000 V\n0.370900 0.399152 0.250000 V\n0.333333 0.666667 0.507168 Pb\n0.666667 0.333333 0.492832 Pb\n0.666667 0.333333 0.007168 Pb\n0.333333 0.666667 0.992832 Pb\n0.246582 0.242610 0.750000 Pb\n0.753418 0.757390 0.250000 Pb\n0.757390 0.003973 0.750000 Pb\n0.242610 0.996027 0.250000 Pb\n0.996027 0.753418 0.750000 Pb\n0.003973 0.246582 0.250000 Pb\n0.166889 0.490693 0.750000 O\n0.833111 0.509307 0.250000 O\n0.509307 0.676196 0.750000 O\n0.490693 0.323804 0.250000 O\n0.323804 0.833111 0.750000 O\n0.676196 0.166889 0.250000 O\n0.596439 0.123037 0.750000 O\n0.403561 0.876963 0.250000 O\n0.876963 0.473402 0.750000 O\n0.123037 0.526598 0.250000 O\n0.526598 0.403561 0.750000 O\n0.473402 0.596439 0.250000 O\n0.341045 0.088772 0.567528 O\n0.658955 0.911228 0.432472 O\n0.911228 0.252273 0.567528 O\n0.658955 0.911228 0.067528 O\n0.088772 0.747727 0.432472 O\n0.341045 0.088772 0.932472 O\n0.747727 0.658955 0.567528 O\n0.088772 0.747727 0.067528 O\n0.252273 0.341045 0.432472 O\n0.911228 0.252273 0.932472 O\n0.252273 0.341045 0.067528 O\n0.747727 0.658955 0.932472 O\n0.000000 0.000000 0.750000 F\n0.000000 0.000000 0.250000 F\n",
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{
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"structure_string": "As4 S4 Cl4 O4 F32\n1.0\n9.090528 0.000000 0.000000\n0.000000 8.491977 0.000000\n0.000000 7.483853 9.819742\nAs S Cl O F\n4 4 4 4 32\ndirect\n0.186413 0.194790 0.559387 As\n0.686413 0.805210 0.940613 As\n0.313587 0.194790 0.059387 As\n0.813587 0.805210 0.440613 As\n0.178420 0.629292 0.122326 S\n0.678420 0.370708 0.377674 S\n0.321580 0.629292 0.622326 S\n0.821580 0.370708 0.877674 S\n0.204180 0.851934 0.936080 Cl\n0.704180 0.148066 0.563920 Cl\n0.295820 0.851934 0.436080 Cl\n0.795820 0.148066 0.063920 Cl\n0.803088 0.480756 0.303517 O\n0.303088 0.519244 0.196483 O\n0.696912 0.480756 0.803517 O\n0.196912 0.519244 0.696483 O\n0.091886 0.705782 0.188446 F\n0.231922 0.448490 0.472965 F\n0.555787 0.495221 0.377453 F\n0.851822 0.836066 0.003287 F\n0.649364 0.061096 0.851035 F\n0.589214 0.746709 0.084266 F\n0.025695 0.222814 0.626234 F\n0.286726 0.137483 0.704906 F\n0.089214 0.253291 0.415734 F\n0.351822 0.163934 0.496713 F\n0.055787 0.504779 0.122547 F\n0.786726 0.862517 0.795094 F\n0.731922 0.551510 0.027035 F\n0.525695 0.777186 0.873766 F\n0.591886 0.294218 0.311554 F\n0.149364 0.938904 0.648965 F\n0.850636 0.061096 0.351035 F\n0.408114 0.705782 0.688446 F\n0.474305 0.222814 0.126234 F\n0.268078 0.448490 0.972965 F\n0.213274 0.137483 0.204906 F\n0.944213 0.495221 0.877453 F\n0.648178 0.836066 0.503287 F\n0.910786 0.746709 0.584266 F\n0.713274 0.862517 0.295094 F\n0.974305 0.777186 0.373766 F\n0.410786 0.253291 0.915734 F\n0.350636 0.938904 0.148965 F\n0.148178 0.163934 0.996713 F\n0.444213 0.504779 0.622547 F\n0.768078 0.551510 0.527035 F\n0.908114 0.294218 0.811554 F\n",
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{
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{
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{
"id": "mp-711",
"created_at": "2022-09-04T14:44:57.878354Z",
"structure_string": "Ce2 Ga12\n1.0\n6.014637 0.000000 0.000000\n0.000000 6.014637 0.000000\n0.000000 0.000000 7.725658\nCe Ga\n2 12\ndirect\n0.000000 0.500000 0.000000 Ce\n0.500000 0.000000 0.000000 Ce\n0.683733 0.816267 0.351754 Ga\n0.316267 0.183733 0.351754 Ga\n0.000000 0.000000 0.161203 Ga\n0.000000 0.000000 0.838797 Ga\n0.500000 0.500000 0.838797 Ga\n0.500000 0.500000 0.161203 Ga\n0.183733 0.316267 0.648246 Ga\n0.683733 0.183733 0.648246 Ga\n0.316267 0.816267 0.648246 Ga\n0.183733 0.683733 0.351754 Ga\n0.816267 0.316267 0.351754 Ga\n0.816267 0.683733 0.648246 Ga\n",
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"volume": 279.48230863238854,
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"formula_full": "Ce2 Ga12",
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{
"id": "mp-1180189",
"created_at": "2022-09-04T14:44:57.881241Z",
"structure_string": "Na1 Al3 Cr2 O14\n1.0\n6.167215 -3.535681 0.000000\n6.167215 3.535681 0.000000\n4.140200 0.000000 5.778783\nNa Al Cr O\n1 3 2 14\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.687657 0.687657 0.687657 Cr\n0.312343 0.312343 0.312343 Cr\n0.596064 0.596064 0.596064 O\n0.403936 0.403936 0.403936 O\n0.852162 0.466106 0.852162 O\n0.852162 0.852162 0.466106 O\n0.466106 0.852162 0.852162 O\n0.147838 0.533894 0.147838 O\n0.147838 0.147838 0.533894 O\n0.533894 0.147838 0.147838 O\n0.742455 0.084504 0.742455 O\n0.742455 0.742455 0.084504 O\n0.084504 0.742455 0.742455 O\n0.257545 0.915496 0.257545 O\n0.257545 0.257545 0.915496 O\n0.915496 0.257545 0.257545 O\n",
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]
}