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{
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"results": [
{
"id": "mp-1199106",
"created_at": "2022-09-04T14:41:28.590858Z",
"structure_string": "Tm20 Pt16\n1.0\n7.369142 0.000000 0.000000\n0.000000 7.474968 0.000000\n0.000000 0.000000 14.706601\nTm Pt\n20 16\ndirect\n0.625395 0.163690 0.618461 Tm\n0.125395 0.336310 0.881539 Tm\n0.374605 0.836310 0.118461 Tm\n0.874605 0.663690 0.381539 Tm\n0.374605 0.836310 0.381539 Tm\n0.874605 0.663690 0.118461 Tm\n0.625395 0.163690 0.881539 Tm\n0.125395 0.336310 0.618461 Tm\n0.471187 0.674236 0.599183 Tm\n0.971187 0.825764 0.900817 Tm\n0.528813 0.325764 0.099183 Tm\n0.028813 0.174236 0.400817 Tm\n0.528813 0.325764 0.400817 Tm\n0.028813 0.174236 0.099183 Tm\n0.471187 0.674236 0.900817 Tm\n0.971187 0.825764 0.599183 Tm\n0.791165 0.504953 0.750000 Tm\n0.291165 0.995047 0.750000 Tm\n0.208835 0.495047 0.250000 Tm\n0.708835 0.004953 0.250000 Tm\n0.711822 0.974690 0.455728 Pt\n0.211822 0.525310 0.044272 Pt\n0.288178 0.025310 0.955728 Pt\n0.788178 0.474690 0.544272 Pt\n0.288178 0.025310 0.544272 Pt\n0.788178 0.474690 0.955728 Pt\n0.711822 0.974690 0.044272 Pt\n0.211822 0.525310 0.455728 Pt\n0.423716 0.377320 0.750000 Pt\n0.923716 0.122680 0.750000 Pt\n0.576284 0.622680 0.250000 Pt\n0.076284 0.877320 0.250000 Pt\n0.659437 0.858284 0.750000 Pt\n0.159437 0.641716 0.750000 Pt\n0.340563 0.141716 0.250000 Pt\n0.840563 0.358284 0.250000 Pt\n",
"nsites": 36,
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"elements": [
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"volume": 810.0998895189109,
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"formula_full": "Tm20 Pt16",
"formula_reduced": "Tm5Pt4",
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"updated_at": "2021-11-28T01:35:20.378000Z",
"spacegroup": 62
},
{
"id": "mp-1022589",
"created_at": "2022-09-04T14:41:29.286227Z",
"structure_string": "Mg12 Zn2 Cd2\n1.0\n5.006838 0.000000 0.000000\n0.000000 6.369141 0.000000\n0.000000 0.000000 10.685660\nMg Zn Cd\n12 2 2\ndirect\n0.500000 0.249768 0.584113 Mg\n0.500000 0.750232 0.584113 Mg\n0.000000 0.253842 0.414735 Mg\n0.000000 0.746158 0.414735 Mg\n0.000000 0.000000 0.669601 Mg\n0.000000 0.000000 0.167009 Mg\n0.500000 0.749768 0.084113 Mg\n0.500000 0.250232 0.084113 Mg\n0.000000 0.753842 0.914735 Mg\n0.000000 0.246158 0.914735 Mg\n0.000000 0.500000 0.169601 Mg\n0.000000 0.500000 0.667009 Mg\n0.500000 0.000000 0.832577 Zn\n0.500000 0.500000 0.332577 Zn\n0.500000 0.000000 0.333120 Cd\n0.500000 0.500000 0.833120 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"Cd"
],
"chemical_system": "Cd-Mg-Zn",
"density": 3.1543432436793934,
"density_atomic": 0.046954176487827876,
"volume": 340.7577599438411,
"volume_molar": 12.825569971525631,
"formula_full": "Mg12 Zn2 Cd2",
"formula_reduced": "Mg6ZnCd",
"formula_anonymous": "ABC6",
"energy": -23.98567532,
"energy_per_atom": -1.4991047075,
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"updated_at": "2021-11-28T01:35:21.920000Z",
"spacegroup": 38
},
{
"id": "mp-1102938",
"created_at": "2022-09-04T14:41:29.287043Z",
"structure_string": "Mn2 Tl2 F8\n1.0\n2.785590 6.924149 0.000000\n-2.785590 6.924149 0.000000\n0.000000 2.142930 5.064481\nMn Tl F\n2 2 8\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.235326 0.764674 0.750000 Tl\n0.764674 0.235326 0.250000 Tl\n0.766416 0.451400 0.671229 F\n0.548600 0.233584 0.828771 F\n0.233584 0.548600 0.328771 F\n0.451400 0.766416 0.171229 F\n0.279716 0.145195 0.755947 F\n0.854805 0.720284 0.744053 F\n0.720284 0.854805 0.244053 F\n0.145195 0.279716 0.255947 F\n",
"nsites": 12,
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"elements": [
"Mn",
"Tl",
"F"
],
"chemical_system": "F-Mn-Tl",
"density": 5.700113176339783,
"density_atomic": 0.06142323766216106,
"volume": 195.36580057863728,
"volume_molar": 9.804336256455361,
"formula_full": "Mn2 Tl2 F8",
"formula_reduced": "MnTlF4",
"formula_anonymous": "ABC4",
"energy": -69.37545581,
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"updated_at": "2021-11-28T01:35:23.138000Z",
"spacegroup": 15
},
{
"id": "mp-1201829",
"created_at": "2022-09-04T14:41:29.169988Z",
"structure_string": "Mn8 As8 O40\n1.0\n0.042987 0.000000 6.696545\n7.254856 0.000000 -0.866751\n0.000000 15.488360 0.000000\nMn As O\n8 8 40\ndirect\n0.352258 0.600388 0.550595 Mn\n0.647742 0.399612 0.050595 Mn\n0.091074 0.892359 0.451704 Mn\n0.908926 0.107641 0.951704 Mn\n0.841888 0.147674 0.569435 Mn\n0.158112 0.852326 0.069435 Mn\n0.604075 0.341999 0.431765 Mn\n0.395925 0.658001 0.931765 Mn\n0.839654 0.585606 0.588434 As\n0.160346 0.414394 0.088434 As\n0.605124 0.906565 0.411509 As\n0.394876 0.093435 0.911509 As\n0.344814 0.172330 0.613708 As\n0.655186 0.827670 0.113708 As\n0.097700 0.316456 0.388035 As\n0.902300 0.683544 0.888035 As\n0.763917 0.733262 0.664775 O\n0.236083 0.266738 0.164775 O\n0.691350 0.757510 0.338250 O\n0.308650 0.242490 0.838250 O\n0.057792 0.674502 0.532505 O\n0.942208 0.325498 0.032505 O\n0.384214 0.816687 0.463242 O\n0.615786 0.183313 0.963242 O\n0.645237 0.555558 0.510231 O\n0.354763 0.444442 0.010231 O\n0.797346 0.936880 0.491063 O\n0.202654 0.063120 0.991063 O\n0.881537 0.377114 0.632538 O\n0.118463 0.622886 0.132538 O\n0.565671 0.115449 0.366906 O\n0.434329 0.884551 0.866906 O\n0.318846 0.395696 0.636924 O\n0.681154 0.604304 0.136924 O\n0.123732 0.087688 0.368498 O\n0.876268 0.912312 0.868498 O\n0.126901 0.087571 0.551348 O\n0.873099 0.912429 0.051348 O\n0.308429 0.401798 0.452373 O\n0.691571 0.598202 0.952373 O\n0.557709 0.179035 0.541754 O\n0.442291 0.820965 0.041754 O\n0.883137 0.310591 0.459226 O\n0.116863 0.689409 0.959226 O\n0.379776 0.021392 0.692767 O\n0.620224 0.978607 0.192767 O\n0.059798 0.452135 0.303954 O\n0.940202 0.547865 0.803954 O\n0.427815 0.736135 0.645119 O\n0.572185 0.263865 0.145119 O\n0.011366 0.748131 0.341278 O\n0.988634 0.251869 0.841278 O\n0.810872 0.033675 0.665915 O\n0.189128 0.966325 0.165915 O\n0.623181 0.456722 0.335149 O\n0.376819 0.543278 0.835149 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Mn",
"As",
"O"
],
"chemical_system": "As-Mn-O",
"density": 3.702063334232574,
"density_atomic": 0.07436525327192549,
"volume": 753.0398611731916,
"volume_molar": 8.098057217635391,
"formula_full": "Mn8 As8 O40",
"formula_reduced": "MnAsO5",
"formula_anonymous": "ABC5",
"energy": -380.77685472,
"energy_per_atom": -6.799586691428572,
"energy_above_hull": null,
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"energy_uncorrected": -339.95285472,
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"updated_at": "2021-11-28T01:35:18.966000Z",
"spacegroup": 4
},
{
"id": "mp-555462",
"created_at": "2022-09-04T14:41:29.169976Z",
"structure_string": "Al4 H12 O12\n1.0\n5.059721 0.000000 0.000000\n0.938940 6.214802 0.000000\n1.114405 0.651660 6.918695\nAl H O\n4 12 12\ndirect\n0.019243 0.665077 0.336260 Al\n0.530261 0.835246 0.165803 Al\n0.980757 0.334923 0.663740 Al\n0.469739 0.164754 0.834197 Al\n0.880347 0.921062 0.878714 H\n0.360026 0.520023 0.113261 H\n0.119653 0.078938 0.121286 H\n0.219158 0.267465 0.321933 H\n0.234977 0.971687 0.621921 H\n0.639974 0.479977 0.886739 H\n0.404378 0.694085 0.498963 H\n0.780842 0.732535 0.678067 H\n0.765023 0.028313 0.378079 H\n0.206220 0.540744 0.873334 H\n0.595622 0.305915 0.501037 H\n0.793780 0.459256 0.126666 H\n0.699391 0.199127 0.583355 O\n0.178161 0.378348 0.413975 O\n0.754148 0.571173 0.217115 O\n0.821839 0.621652 0.586025 O\n0.270997 0.668392 0.094533 O\n0.300609 0.800873 0.416645 O\n0.729003 0.331608 0.905467 O\n0.812509 0.937241 0.268576 O\n0.187491 0.062759 0.731424 O\n0.310820 0.102790 0.101395 O\n0.689180 0.897210 0.898605 O\n0.245852 0.428827 0.782885 O\n",
"nsites": 28,
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"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 2.3814718499718923,
"density_atomic": 0.12870042432942452,
"volume": 217.55950025720634,
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"formula_full": "Al4 H12 O12",
"formula_reduced": "Al(HO)3",
"formula_anonymous": "AB3C3",
"energy": -171.72843166,
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"updated_at": "2021-11-28T01:35:20.296000Z",
"spacegroup": 2
},
{
"id": "mp-1216900",
"created_at": "2022-09-04T14:41:28.358057Z",
"structure_string": "Tl1 V2 Cr3 S8\n1.0\n1.741534 8.805766 0.000000\n-1.741534 8.805766 0.000000\n0.000000 2.031572 8.485607\nTl V Cr S\n1 2 3 8\ndirect\n0.002179 0.002179 0.996213 Tl\n0.850721 0.850721 0.480208 V\n0.492093 0.492093 0.497166 V\n0.793632 0.793632 0.836240 Cr\n0.203297 0.203297 0.167031 Cr\n0.158641 0.158641 0.521816 Cr\n0.586515 0.586515 0.664232 S\n0.412728 0.412728 0.317472 S\n0.263427 0.263427 0.655547 S\n0.739045 0.739045 0.347418 S\n0.669873 0.669873 0.013372 S\n0.327932 0.327932 0.989105 S\n0.926363 0.926363 0.666619 S\n0.073553 0.073553 0.347561 S\n",
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"Cr",
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"volume": 260.2627461658311,
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"formula_full": "Tl1 V2 Cr3 S8",
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{
"id": "mp-1223252",
"created_at": "2022-09-04T14:41:29.195307Z",
"structure_string": "La2 Al1 Ge1\n1.0\n2.292587 -5.828695 0.000000\n2.292587 5.828695 0.000000\n0.000000 0.000000 4.185540\nLa Al Ge\n2 1 1\ndirect\n0.358872 0.641128 0.000000 La\n0.644524 0.355476 0.500000 La\n0.067053 0.932947 0.000000 Al\n0.929551 0.070449 0.500000 Ge\n",
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{
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},
{
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"structure_string": "K2 Ca2 P6 O18\n1.0\n3.460881 -5.994421 0.000000\n3.460881 5.994421 0.000000\n0.000000 0.000000 10.497721\nK Ca P O\n2 2 6 18\ndirect\n0.666667 0.333333 0.500000 K\n0.666667 0.333333 0.000000 K\n0.333333 0.666667 0.500000 Ca\n0.333333 0.666667 0.000000 Ca\n0.732012 0.771326 0.250000 P\n0.228674 0.960686 0.250000 P\n0.039314 0.267988 0.250000 P\n0.039314 0.771326 0.750000 P\n0.228674 0.267988 0.750000 P\n0.732012 0.960686 0.750000 P\n0.053438 0.385542 0.372731 O\n0.614458 0.946562 0.627269 O\n0.614458 0.667896 0.372731 O\n0.332104 0.946562 0.372731 O\n0.614458 0.667896 0.127269 O\n0.332104 0.946562 0.127269 O\n0.053438 0.385542 0.127269 O\n0.332104 0.385542 0.872731 O\n0.053438 0.667896 0.872731 O\n0.053438 0.667896 0.627269 O\n0.807252 0.774080 0.750000 O\n0.966827 0.192748 0.750000 O\n0.225920 0.033173 0.750000 O\n0.225920 0.192748 0.250000 O\n0.966827 0.774080 0.250000 O\n0.807252 0.033173 0.250000 O\n0.614458 0.946562 0.872731 O\n0.332104 0.385542 0.627269 O\n",
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{
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{
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}