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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=12155",
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"results": [
{
"id": "mp-1305060",
"created_at": "2022-09-04T14:45:17.622468Z",
"structure_string": "Mn10 O6 F10\n1.0\n3.144207 -5.518166 0.046964\n3.170391 1.971421 -10.493187\n6.403070 0.021699 -0.000561\nMn O F\n10 6 10\ndirect\n0.554183 0.188858 0.365126 Mn\n0.061548 0.681576 0.371819 Mn\n0.464653 0.488362 0.986212 Mn\n0.581036 0.691697 0.387336 Mn\n0.069549 0.687247 0.892078 Mn\n0.964391 0.987651 0.984405 Mn\n0.823018 0.443816 0.374647 Mn\n0.325961 0.943093 0.386341 Mn\n0.074157 0.191146 0.374800 Mn\n0.564630 0.191488 0.882852 Mn\n0.638494 0.056671 0.144942 O\n0.161283 0.568783 0.136073 O\n0.430982 0.296449 0.127889 O\n0.906968 0.789779 0.152897 O\n0.195890 0.053813 0.586834 O\n0.682848 0.575162 0.587736 O\n0.180770 0.055397 0.124444 F\n0.687808 0.567727 0.114142 F\n0.924242 0.308172 0.613063 F\n0.426635 0.809380 0.621459 F\n0.916628 0.305862 0.175426 F\n0.435934 0.809439 0.199100 F\n0.696566 0.092596 0.609035 F\n0.230095 0.596220 0.593844 F\n0.483503 0.305555 0.606620 F\n0.010240 0.811407 0.595556 F\n",
"nsites": 26,
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"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 3.7402484043339066,
"density_atomic": 0.07010525323799524,
"volume": 370.8709233491317,
"volume_molar": 8.590141939229392,
"formula_full": "Mn10 O6 F10",
"formula_reduced": "Mn5O3F5",
"formula_anonymous": "A3B5C5",
"energy": -204.68547794,
"energy_per_atom": -7.8725183823076925,
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"energy_uncorrected": -179.26347794,
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"is_magnetic": true,
"total_magnetization": 2.61e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.002000Z",
"spacegroup": 1
},
{
"id": "mp-1247643",
"created_at": "2022-09-04T14:45:17.669450Z",
"structure_string": "Sr4 Ca28 Mn28 Al4 O86\n1.0\n10.957386 0.000988 -0.153896\n0.002682 15.336222 -0.029950\n-0.150002 -0.020404 10.885356\nSr Ca Mn Al O\n4 28 28 4 86\ndirect\n0.999210 0.118089 0.502324 Sr\n0.505217 0.364139 0.996585 Sr\n0.243691 0.373330 0.250989 Sr\n0.255111 0.126911 0.234200 Sr\n0.005927 0.113495 0.007544 Ca\n0.008279 0.624268 0.505017 Ca\n0.012447 0.621105 0.995168 Ca\n0.536463 0.125119 0.494944 Ca\n0.531414 0.124223 0.998869 Ca\n0.528500 0.636193 0.486764 Ca\n0.540952 0.631246 0.989170 Ca\n0.513453 0.360504 0.490130 Ca\n0.500477 0.888796 0.987205 Ca\n0.480723 0.877449 0.517938 Ca\n0.963523 0.381563 0.007003 Ca\n0.959779 0.385786 0.501602 Ca\n0.969768 0.881539 0.000275 Ca\n0.970422 0.871655 0.506512 Ca\n0.231638 0.392991 0.762358 Ca\n0.235791 0.891038 0.258968 Ca\n0.226738 0.873370 0.746040 Ca\n0.743214 0.361341 0.247893 Ca\n0.749566 0.362582 0.753257 Ca\n0.755195 0.884947 0.253105 Ca\n0.726134 0.879926 0.741406 Ca\n0.263901 0.114927 0.765585 Ca\n0.233163 0.618976 0.265509 Ca\n0.228742 0.636485 0.725772 Ca\n0.762552 0.120353 0.256431 Ca\n0.777897 0.121544 0.757147 Ca\n0.784272 0.623530 0.253847 Ca\n0.776858 0.625543 0.757825 Ca\n0.003553 0.001932 0.251815 Mn\n0.999806 0.996148 0.752724 Mn\n0.995578 0.493124 0.255130 Mn\n0.992918 0.497411 0.753668 Mn\n0.495385 0.004167 0.747148 Mn\n0.512657 0.491723 0.236409 Mn\n0.504296 0.488823 0.729784 Mn\n0.253708 0.996823 0.001367 Mn\n0.240561 0.502135 0.015954 Mn\n0.242065 0.496295 0.516160 Mn\n0.751462 0.999810 0.996837 Mn\n0.744803 0.997886 0.499975 Mn\n0.748480 0.503252 0.998770 Mn\n0.742017 0.503999 0.497560 Mn\n0.255121 0.243199 0.485117 Mn\n0.268945 0.736086 0.970981 Mn\n0.249524 0.754328 0.487850 Mn\n0.762435 0.245141 0.005128 Mn\n0.752579 0.248920 0.504718 Mn\n0.751050 0.752618 0.997721 Mn\n0.750643 0.748275 0.503464 Mn\n0.008294 0.250203 0.764522 Mn\n0.995733 0.753232 0.258580 Mn\n0.992268 0.752306 0.750287 Mn\n0.501650 0.241955 0.247475 Mn\n0.510813 0.242237 0.752816 Mn\n0.518905 0.765865 0.258739 Mn\n0.499283 0.750496 0.744935 Mn\n0.514209 0.998220 0.231558 Al\n0.227189 0.996761 0.519850 Al\n0.274995 0.251387 0.972682 Al\n0.982470 0.248784 0.272163 Al\n0.100988 0.764897 0.612165 O\n0.618729 0.258861 0.118624 O\n0.615478 0.265887 0.613581 O\n0.589722 0.766628 0.098540 O\n0.596088 0.759966 0.598112 O\n0.403902 0.227330 0.396117 O\n0.408584 0.225085 0.889748 O\n0.401104 0.710129 0.349410 O\n0.395726 0.692774 0.864544 O\n0.882465 0.237176 0.396834 O\n0.904411 0.233074 0.907717 O\n0.893417 0.732844 0.406960 O\n0.892948 0.731832 0.900313 O\n0.133510 0.242058 0.353642 O\n0.177841 0.250773 0.813751 O\n0.158091 0.749419 0.328864 O\n0.131032 0.732760 0.861444 O\n0.642937 0.228187 0.360990 O\n0.659991 0.230398 0.862508 O\n0.653897 0.721229 0.351340 O\n0.640786 0.724893 0.851196 O\n0.362257 0.261346 0.134651 O\n0.355177 0.758228 0.636617 O\n0.877902 0.270293 0.141755 O\n0.875047 0.271678 0.637194 O\n0.860284 0.775589 0.140827 O\n0.846451 0.771744 0.650539 O\n0.357149 0.505118 0.162423 O\n0.347169 0.512573 0.665418 O\n0.362130 0.988658 0.147227 O\n0.351603 0.983756 0.637911 O\n0.849148 0.480966 0.153032 O\n0.843994 0.477540 0.648846 O\n0.864250 0.979929 0.134348 O\n0.854897 0.980212 0.643373 O\n0.151962 0.016203 0.366804 O\n0.149257 0.003937 0.853289 O\n0.153545 0.499255 0.363034 O\n0.152287 0.522355 0.862672 O\n0.628527 0.019657 0.361624 O\n0.640902 0.026037 0.854540 O\n0.631224 0.532770 0.347873 O\n0.625226 0.523717 0.845082 O\n0.397197 0.021829 0.896321 O\n0.879100 0.009664 0.382441 O\n0.892499 0.016049 0.891812 O\n0.891702 0.518759 0.400004 O\n0.890807 0.517077 0.898647 O\n0.095158 0.476476 0.116672 O\n0.094727 0.477779 0.617216 O\n0.114080 0.980196 0.106332 O\n0.097615 0.975000 0.611568 O\n0.598082 0.499726 0.088147 O\n0.583849 0.495585 0.577381 O\n0.618379 0.980971 0.107661 O\n0.600160 0.985522 0.607033 O\n-0.000003 0.371859 0.288203 O\n0.007852 0.375127 0.795886 O\n0.009289 0.877621 0.283948 O\n0.005373 0.873995 0.791578 O\n0.502909 0.372135 0.281448 O\n0.474028 0.369380 0.765911 O\n0.482976 0.887059 0.292445 O\n0.505031 0.880355 0.777347 O\n0.491025 0.119111 0.219567 O\n0.476565 0.128130 0.697842 O\n0.994180 0.128521 0.224007 O\n0.002884 0.124859 0.728972 O\n0.005279 0.626993 0.220477 O\n0.990283 0.624261 0.716195 O\n0.207516 0.149961 0.016215 O\n0.236967 0.126926 0.541150 O\n0.234354 0.629594 0.050232 O\n0.233525 0.624573 0.505995 O\n0.753187 0.122019 0.041504 O\n0.751841 0.124289 0.540054 O\n0.748667 0.629610 0.037849 O\n0.742429 0.625724 0.544502 O\n0.286695 0.366627 0.514765 O\n0.265593 0.375692 0.978966 O\n0.268106 0.880936 0.468172 O\n0.289078 0.854531 0.981473 O\n0.740213 0.377977 0.462908 O\n0.748576 0.374568 0.968984 O\n0.747302 0.871993 0.465633 O\n0.748942 0.876302 0.955539 O\n",
"nsites": 150,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Mn",
"Al",
"O"
],
"chemical_system": "Al-Ca-Mn-O-Sr",
"density": 4.081102568521628,
"density_atomic": 0.08201795388730035,
"volume": 1828.8678623477094,
"volume_molar": 7.342466465665473,
"formula_full": "Sr4 Ca28 Mn28 Al4 O86",
"formula_reduced": "Sr2Ca14Mn14Al2O43",
"formula_anonymous": "A2B2C14D14E43",
"energy": -1150.34790483,
"energy_per_atom": -7.6689860322,
"energy_above_hull": null,
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"energy_uncorrected": -1044.56190483,
"band_gap": 0.0616000000000003,
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"updated_at": "2021-11-28T01:36:58.494000Z",
"spacegroup": 1
},
{
"id": "mp-1217757",
"created_at": "2022-09-04T14:45:17.909606Z",
"structure_string": "Tb18 Ga10 S42\n1.0\n7.775950 -8.455248 0.000000\n7.775950 8.455248 0.000000\n-1.417939 0.000000 11.399389\nTb Ga S\n18 10 42\ndirect\n0.258021 0.119792 0.884584 Tb\n0.919111 0.775471 0.542603 Tb\n0.598376 0.450969 0.223038 Tb\n0.450969 0.223038 0.598376 Tb\n0.119792 0.884584 0.258021 Tb\n0.775471 0.542603 0.919110 Tb\n0.542603 0.919111 0.775471 Tb\n0.223038 0.598376 0.450969 Tb\n0.884584 0.258021 0.119792 Tb\n0.416451 0.558823 0.789655 Tb\n0.071496 0.216229 0.448905 Tb\n0.750949 0.893388 0.125849 Tb\n0.216229 0.448905 0.071496 Tb\n0.893388 0.125849 0.750949 Tb\n0.558823 0.789655 0.416451 Tb\n0.125849 0.750949 0.893388 Tb\n0.789655 0.416451 0.558823 Tb\n0.448905 0.071496 0.216229 Tb\n0.946351 0.609426 0.277135 Ga\n0.609426 0.277136 0.946351 Ga\n0.277135 0.946351 0.609426 Ga\n0.445783 0.775270 0.111763 Ga\n0.111763 0.445783 0.775270 Ga\n0.775270 0.111763 0.445783 Ga\n0.142962 0.142962 0.142962 Ga\n0.841846 0.841846 0.841846 Ga\n0.342442 0.342442 0.342442 Ga\n0.642770 0.642770 0.642770 Ga\n0.984459 0.551993 0.461363 S\n0.642670 0.218732 0.129841 S\n0.305723 0.892850 0.797152 S\n0.892850 0.797152 0.305723 S\n0.551993 0.461363 0.984459 S\n0.218732 0.129841 0.642670 S\n0.129841 0.642670 0.218732 S\n0.797152 0.305723 0.892850 S\n0.461363 0.984459 0.551993 S\n0.524471 0.936372 0.032549 S\n0.187657 0.610959 0.700611 S\n0.845005 0.278598 0.367904 S\n0.610959 0.700611 0.187657 S\n0.278598 0.367904 0.845005 S\n0.936372 0.032549 0.524471 S\n0.367904 0.845005 0.278598 S\n0.032549 0.524471 0.936372 S\n0.700611 0.187657 0.610959 S\n0.821575 0.486714 0.153145 S\n0.486714 0.153145 0.821575 S\n0.153145 0.821575 0.486714 S\n0.653345 0.986966 0.321069 S\n0.321069 0.653345 0.986966 S\n0.986966 0.321069 0.653345 S\n0.691197 0.593911 0.440084 S\n0.337069 0.242579 0.103659 S\n0.008127 0.906445 0.761446 S\n0.906445 0.761446 0.008127 S\n0.593911 0.440084 0.691197 S\n0.242579 0.103659 0.337069 S\n0.103659 0.337069 0.242579 S\n0.761446 0.008127 0.906445 S\n0.440084 0.691197 0.593911 S\n0.619214 0.712553 0.851962 S\n0.275563 0.378481 0.522614 S\n0.958999 0.055466 0.210068 S\n0.378481 0.522614 0.275563 S\n0.055466 0.210068 0.958999 S\n0.712553 0.851962 0.619214 S\n0.210068 0.958999 0.055466 S\n0.851962 0.619214 0.712553 S\n0.522614 0.275563 0.378481 S\n",
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"elements": [
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"Ga",
"S"
],
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"density_atomic": 0.046698901047551755,
"volume": 1498.9646100819718,
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"formula_full": "Tb18 Ga10 S42",
"formula_reduced": "Tb9Ga5S21",
"formula_anonymous": "A5B9C21",
"energy": -417.09586593,
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"updated_at": "2021-11-28T01:37:06.437000Z",
"spacegroup": 146
},
{
"id": "mp-510099",
"created_at": "2022-09-04T14:45:17.995384Z",
"structure_string": "In6 Au20\n1.0\n5.453674 -9.446040 0.000000\n5.453674 9.446040 0.000000\n0.000000 0.000000 4.796782\nIn Au\n6 20\ndirect\n0.638620 0.744006 0.250000 In\n0.255994 0.894614 0.250000 In\n0.105386 0.361380 0.250000 In\n0.361380 0.255994 0.750000 In\n0.744006 0.105386 0.750000 In\n0.894614 0.638620 0.750000 In\n0.877495 0.058141 0.250000 Au\n0.941859 0.819354 0.250000 Au\n0.180646 0.122505 0.250000 Au\n0.122505 0.941859 0.750000 Au\n0.058141 0.180646 0.750000 Au\n0.819354 0.877495 0.750000 Au\n0.564514 0.974235 0.250000 Au\n0.025765 0.590279 0.250000 Au\n0.409721 0.435486 0.250000 Au\n0.435486 0.025765 0.750000 Au\n0.974235 0.409721 0.750000 Au\n0.590279 0.564514 0.750000 Au\n0.795986 0.284446 0.250000 Au\n0.715554 0.511540 0.250000 Au\n0.488460 0.204014 0.250000 Au\n0.204014 0.715554 0.750000 Au\n0.284446 0.488460 0.750000 Au\n0.511540 0.795986 0.750000 Au\n0.666667 0.333333 0.750000 Au\n0.333333 0.666667 0.250000 Au\n",
"nsites": 26,
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"elements": [
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],
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"volume": 494.2184238611909,
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"formula_full": "In6 Au20",
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"updated_at": "2021-11-28T01:36:59.299000Z",
"spacegroup": 176
},
{
"id": "mp-22018",
"created_at": "2022-09-04T14:45:18.054729Z",
"structure_string": "Hf1 Mn6 Ge6\n1.0\n2.507194 -4.342587 0.000000\n2.507194 4.342587 0.000000\n0.000000 0.000000 8.079167\nHf Mn Ge\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.500000 0.752415 Mn\n0.000000 0.500000 0.247585 Mn\n0.500000 0.500000 0.247585 Mn\n0.500000 0.000000 0.247585 Mn\n0.500000 0.500000 0.752415 Mn\n0.500000 0.000000 0.752415 Mn\n0.000000 0.000000 0.657054 Ge\n0.333333 0.666667 0.000000 Ge\n0.666667 0.333333 0.500000 Ge\n0.333333 0.666667 0.500000 Ge\n0.000000 0.000000 0.342946 Ge\n0.666667 0.333333 0.000000 Ge\n",
"nsites": 13,
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],
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"density": 8.90981823823194,
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"volume": 175.9272235037424,
"volume_molar": 8.149680795811669,
"formula_full": "Hf1 Mn6 Ge6",
"formula_reduced": "Hf(MnGe)6",
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"energy": -96.26766763,
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"updated_at": "2021-11-28T01:37:02.203000Z",
"spacegroup": 191
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{
"id": "mp-1111672",
"created_at": "2022-09-04T14:45:18.055965Z",
"structure_string": "K2 Li1 In1 Cl6\n1.0\n0.000000 5.115235 5.115235\n5.115235 0.000000 5.115235\n5.115235 5.115235 0.000000\nK Li In Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 In\n0.751796 0.248204 0.248204 Cl\n0.248204 0.248204 0.751795 Cl\n0.248204 0.751795 0.751795 Cl\n0.248204 0.751796 0.248204 Cl\n0.751796 0.248204 0.751796 Cl\n0.751796 0.751796 0.248204 Cl\n",
"nsites": 10,
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"elements": [
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"Li",
"In",
"Cl"
],
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"density": 2.559935463949262,
"density_atomic": 0.03735710669581457,
"volume": 267.6866835921312,
"volume_molar": 16.120468881693963,
"formula_full": "K2 Li1 In1 Cl6",
"formula_reduced": "K2LiInCl6",
"formula_anonymous": "ABC2D6",
"energy": -37.53068653,
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"spacegroup": 225
},
{
"id": "mp-1187416",
"created_at": "2022-09-04T14:45:18.183052Z",
"structure_string": "Th1 B1 O3\n1.0\n3.682134 0.000000 0.000000\n0.000000 3.682134 0.000000\n0.000000 0.000000 3.682134\nTh B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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"B",
"O"
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