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{
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"results": [
{
"id": "mp-1027132",
"created_at": "2022-09-04T14:39:36.050523Z",
"structure_string": "Te4 Mo3 W1 S4\n1.0\n1.681692 -2.912776 0.000000\n1.681692 2.912776 0.000000\n0.000000 0.000000 38.317316\nTe Mo W S\n4 3 1 4\ndirect\n0.333333 0.666667 0.331395 Te\n0.333333 0.666667 0.706792 Te\n0.333333 0.666667 0.232179 Te\n0.333333 0.666667 0.608260 Te\n0.333333 0.666667 0.093924 Mo\n0.333333 0.666667 0.469665 Mo\n0.666667 0.333333 0.657538 Mo\n0.666667 0.333333 0.281799 W\n0.666667 0.333333 0.054439 S\n0.666667 0.333333 0.430229 S\n0.666667 0.333333 0.133428 S\n0.666667 0.333333 0.509100 S\n",
"nsites": 12,
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"updated_at": "2021-11-28T01:34:32.493000Z",
"spacegroup": 156
},
{
"id": "mp-1206490",
"created_at": "2022-09-04T14:39:36.053296Z",
"structure_string": "Nb4 B4 Mo2\n1.0\n6.130380 0.000000 0.000000\n0.000000 6.130380 0.000000\n0.000000 0.000000 3.303194\nNb B Mo\n4 4 2\ndirect\n0.678556 0.178556 0.500000 Nb\n0.321444 0.821444 0.500000 Nb\n0.178556 0.321444 0.500000 Nb\n0.821444 0.678556 0.500000 Nb\n0.108571 0.608571 0.000000 B\n0.891429 0.391429 0.000000 B\n0.608571 0.891429 0.000000 B\n0.391429 0.108571 0.000000 B\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.000000 Mo\n",
"nsites": 10,
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"elements": [
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"B",
"Mo"
],
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"density": 8.116142554451036,
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"volume": 124.1391800157884,
"volume_molar": 7.4758361588605675,
"formula_full": "Nb4 B4 Mo2",
"formula_reduced": "Nb2B2Mo",
"formula_anonymous": "AB2C2",
"energy": -95.23091422,
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"updated_at": "2021-11-28T01:34:45.035000Z",
"spacegroup": 127
},
{
"id": "mp-1112669",
"created_at": "2022-09-04T14:39:36.056436Z",
"structure_string": "Cs2 Li1 Tb1 Cl6\n1.0\n0.000000 5.323155 5.323155\n5.323155 0.000000 5.323155\n5.323155 5.323155 0.000000\nCs Li Tb Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Tb\n0.750059 0.249941 0.249941 Cl\n0.249941 0.249941 0.750059 Cl\n0.249941 0.750059 0.750059 Cl\n0.249941 0.750059 0.249941 Cl\n0.750059 0.249941 0.750059 Cl\n0.750059 0.750059 0.249941 Cl\n",
"nsites": 10,
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"elements": [
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"Li",
"Tb",
"Cl"
],
"chemical_system": "Cl-Cs-Li-Tb",
"density": 3.547023765466713,
"density_atomic": 0.033148407403877686,
"volume": 301.6736182272879,
"volume_molar": 18.167209925432292,
"formula_full": "Cs2 Li1 Tb1 Cl6",
"formula_reduced": "Cs2LiTbCl6",
"formula_anonymous": "ABC2D6",
"energy": -44.32450955,
"energy_per_atom": -4.432450955,
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"updated_at": "2021-11-28T01:34:24.071000Z",
"spacegroup": 225
},
{
"id": "mp-1175082",
"created_at": "2022-09-04T14:39:36.057403Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.959863 0.000000 0.000000\n0.138446 5.057362 0.000000\n1.227278 2.171101 14.383129\nLi Mn Co O\n7 2 3 12\ndirect\n0.085367 0.415674 0.834934 Li\n0.756817 0.739435 0.491320 Li\n0.406389 0.081958 0.176999 Li\n0.582229 0.922476 0.831813 Li\n0.265965 0.255551 0.489616 Li\n0.905721 0.586438 0.175670 Li\n0.333132 0.667306 0.332954 Li\n0.996266 0.000151 0.002765 Mn\n0.169485 0.831603 0.664363 Mn\n0.670134 0.332549 0.663609 Co\n0.495418 0.500413 0.002529 Co\n0.833081 0.166985 0.333328 Co\n0.568667 0.219254 0.923379 O\n0.206223 0.549827 0.587699 O\n0.871980 0.912545 0.259134 O\n0.076105 0.711882 0.926253 O\n0.698162 0.005938 0.590706 O\n0.360744 0.357022 0.259728 O\n0.640461 0.653983 0.740216 O\n0.303862 0.978942 0.406518 O\n0.919490 0.292080 0.076347 O\n0.131262 0.114530 0.741382 O\n0.794864 0.421246 0.408310 O\n0.428176 0.782211 0.080428 O\n",
"nsites": 24,
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"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.066503675521027,
"density_atomic": 0.11147108165053939,
"volume": 215.30247706072984,
"volume_molar": 5.402424261818275,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -156.08461657,
"energy_per_atom": -6.503525690416667,
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"updated_at": "2021-11-28T01:34:36.840000Z",
"spacegroup": 1
},
{
"id": "mp-1185568",
"created_at": "2022-09-04T14:39:36.060041Z",
"structure_string": "Mg149 Pt1\n1.0\n13.798992 -7.966855 -0.000000\n0.000000 15.933710 0.000000\n0.000000 0.000000 15.644065\nMg Pt\n149 1\ndirect\n0.601796 0.000152 -0.000000 Mg\n0.398358 0.000152 -0.000000 Mg\n0.191691 0.002016 -0.000000 Mg\n0.810326 0.002016 -0.000000 Mg\n0.191691 0.189674 -0.000000 Mg\n0.997984 0.189675 -0.000000 Mg\n0.801144 0.198855 -0.000000 Mg\n0.397712 0.198856 -0.000000 Mg\n0.599796 0.199593 0.000000 Mg\n0.198262 0.396524 -0.000000 Mg\n0.999848 0.398204 0.000000 Mg\n0.398358 0.398205 0.000000 Mg\n0.800407 0.400204 -0.000000 Mg\n0.599796 0.400204 0.000000 Mg\n0.400189 0.599811 0.000000 Mg\n0.199622 0.599811 0.000000 Mg\n0.999848 0.601642 0.000000 Mg\n0.601796 0.601642 -0.000000 Mg\n0.801144 0.602288 -0.000000 Mg\n0.400189 0.800379 0.000000 Mg\n0.603476 0.801739 -0.000000 Mg\n0.198262 0.801739 -0.000000 Mg\n0.997984 0.808309 -0.000000 Mg\n0.810326 0.808309 -0.000000 Mg\n0.063566 0.127132 0.158429 Mg\n0.872867 0.936434 0.158429 Mg\n0.063566 0.936435 0.158429 Mg\n0.264830 0.330647 0.165365 Mg\n0.065817 0.330647 0.165365 Mg\n0.669353 0.735170 0.165365 Mg\n0.065817 0.735170 0.165365 Mg\n0.669353 0.934183 0.165365 Mg\n0.264830 0.934183 0.165365 Mg\n0.066581 0.533291 0.166073 Mg\n0.466709 0.533291 0.166073 Mg\n0.466709 0.933419 0.166073 Mg\n0.266212 0.532423 0.166056 Mg\n0.266212 0.733788 0.166056 Mg\n0.467577 0.733788 0.166056 Mg\n0.467176 0.133599 0.166608 Mg\n0.666424 0.133599 0.166608 Mg\n0.866400 0.333576 0.166608 Mg\n0.467176 0.333576 0.166608 Mg\n0.866400 0.532823 0.166608 Mg\n0.666424 0.532824 0.166608 Mg\n0.666667 0.333333 0.166712 Mg\n0.865726 0.134275 0.167486 Mg\n0.268549 0.134275 0.167486 Mg\n0.865726 0.731451 0.167486 Mg\n0.000000 0.000000 0.331026 Mg\n0.000364 0.199106 0.331750 Mg\n0.198741 0.199107 0.331750 Mg\n0.000364 0.801258 0.331750 Mg\n0.800894 0.801258 0.331750 Mg\n0.800894 0.999636 0.331750 Mg\n0.198741 0.999636 0.331750 Mg\n0.600381 0.999809 0.332723 Mg\n0.399429 0.999809 0.332723 Mg\n0.000190 0.399619 0.332723 Mg\n0.399429 0.399619 0.332723 Mg\n0.000190 0.600572 0.332723 Mg\n0.600381 0.600572 0.332723 Mg\n0.199853 0.399704 0.332792 Mg\n0.199853 0.800148 0.332792 Mg\n0.600296 0.800148 0.332792 Mg\n0.200024 0.600012 0.333108 Mg\n0.399989 0.600012 0.333108 Mg\n0.399989 0.799976 0.333108 Mg\n0.599881 0.199761 0.333407 Mg\n0.599881 0.400119 0.333407 Mg\n0.800239 0.400119 0.333407 Mg\n0.399831 0.199916 0.333599 Mg\n0.800084 0.199916 0.333599 Mg\n0.800084 0.600168 0.333599 Mg\n0.066518 0.133037 0.500000 Mg\n0.866918 0.133081 0.500000 Mg\n0.266162 0.133082 0.500000 Mg\n0.466669 0.133212 0.500000 Mg\n0.666543 0.133212 0.500000 Mg\n0.266427 0.332793 0.500000 Mg\n0.066365 0.332793 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.466669 0.333457 0.500000 Mg\n0.866788 0.333458 0.500000 Mg\n0.266491 0.532982 0.500000 Mg\n0.466748 0.533252 0.500000 Mg\n0.066503 0.533252 0.500000 Mg\n0.666543 0.533330 0.500000 Mg\n0.866788 0.533330 0.500000 Mg\n0.266491 0.733509 0.500000 Mg\n0.467018 0.733509 0.500000 Mg\n0.066365 0.733573 0.500000 Mg\n0.667207 0.733573 0.500000 Mg\n0.866918 0.733838 0.500000 Mg\n0.466748 0.933497 0.500000 Mg\n0.066518 0.933482 0.500000 Mg\n0.866963 0.933482 0.500000 Mg\n0.266427 0.933635 0.500000 Mg\n0.667207 0.933635 0.500000 Mg\n0.399831 0.199916 0.666401 Mg\n0.800084 0.199916 0.666401 Mg\n0.800084 0.600168 0.666401 Mg\n0.599881 0.199761 0.666592 Mg\n0.599881 0.400119 0.666592 Mg\n0.800239 0.400119 0.666592 Mg\n0.200024 0.600012 0.666891 Mg\n0.399989 0.600012 0.666891 Mg\n0.399989 0.799976 0.666891 Mg\n0.199853 0.399704 0.667207 Mg\n0.199853 0.800148 0.667207 Mg\n0.600296 0.800148 0.667207 Mg\n0.600381 0.999809 0.667277 Mg\n0.399429 0.999809 0.667277 Mg\n0.000190 0.399619 0.667277 Mg\n0.399429 0.399619 0.667277 Mg\n0.000190 0.600572 0.667277 Mg\n0.600381 0.600572 0.667277 Mg\n0.000364 0.199106 0.668250 Mg\n0.198741 0.199107 0.668250 Mg\n0.000364 0.801258 0.668250 Mg\n0.800894 0.801258 0.668250 Mg\n0.800894 0.999636 0.668250 Mg\n0.198741 0.999636 0.668250 Mg\n0.000000 0.000000 0.668974 Mg\n0.865726 0.134275 0.832514 Mg\n0.268549 0.134275 0.832514 Mg\n0.865726 0.731451 0.832514 Mg\n0.666667 0.333333 0.833289 Mg\n0.467176 0.133599 0.833392 Mg\n0.666424 0.133599 0.833392 Mg\n0.866400 0.333576 0.833392 Mg\n0.467176 0.333576 0.833392 Mg\n0.866400 0.532823 0.833392 Mg\n0.666424 0.532824 0.833392 Mg\n0.266212 0.532423 0.833943 Mg\n0.266212 0.733788 0.833943 Mg\n0.467577 0.733788 0.833943 Mg\n0.066581 0.533291 0.833926 Mg\n0.466709 0.533291 0.833926 Mg\n0.466709 0.933419 0.833926 Mg\n0.264830 0.330647 0.834634 Mg\n0.065817 0.330647 0.834634 Mg\n0.669353 0.735170 0.834634 Mg\n0.065817 0.735170 0.834634 Mg\n0.669353 0.934183 0.834634 Mg\n0.264830 0.934183 0.834634 Mg\n0.063566 0.127132 0.841571 Mg\n0.872867 0.936434 0.841571 Mg\n0.063566 0.936435 0.841571 Mg\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 150,
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"elements": [
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],
"chemical_system": "Mg-Pt",
"density": 1.8424842369542345,
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"volume": 3439.6470679109793,
"volume_molar": 13.8093592051208,
"formula_full": "Mg149 Pt1",
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"updated_at": "2021-11-28T01:34:34.340000Z",
"spacegroup": 187
},
{
"id": "mp-1188414",
"created_at": "2022-09-04T14:39:36.065693Z",
"structure_string": "Sr4 Tc4 O12\n1.0\n5.621774 0.000000 0.000000\n0.000000 5.656954 0.000000\n0.000000 0.000000 7.956432\nSr Tc O\n4 4 12\ndirect\n0.495514 0.002337 0.750000 Sr\n0.995514 0.497663 0.750000 Sr\n0.504486 0.997663 0.250000 Sr\n0.004486 0.502337 0.250000 Sr\n0.500000 0.500000 0.500000 Tc\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.000000 Tc\n0.000000 0.000000 0.500000 Tc\n0.002306 0.952670 0.750000 O\n0.502306 0.547330 0.750000 O\n0.997694 0.047330 0.250000 O\n0.497694 0.452670 0.250000 O\n0.740580 0.239589 0.524987 O\n0.240580 0.260411 0.975013 O\n0.259420 0.760411 0.024987 O\n0.759420 0.739589 0.475013 O\n0.259420 0.760411 0.475013 O\n0.759420 0.739589 0.024987 O\n0.740580 0.239589 0.975013 O\n0.240580 0.260411 0.524987 O\n",
"nsites": 20,
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"elements": [
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"Tc",
"O"
],
"chemical_system": "O-Sr-Tc",
"density": 6.132553941625715,
"density_atomic": 0.07904157952489464,
"volume": 253.03138070135446,
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"formula_full": "Sr4 Tc4 O12",
"formula_reduced": "SrTcO3",
"formula_anonymous": "ABC3",
"energy": -156.68717099,
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"updated_at": "2021-11-28T01:34:24.218000Z",
"spacegroup": 62
},
{
"id": "mp-1187068",
"created_at": "2022-09-04T14:39:36.066121Z",
"structure_string": "Sr2 Ga1 Hg1\n1.0\n0.000000 3.949833 3.949833\n3.949833 0.000000 3.949833\n3.949833 3.949833 0.000000\nSr Ga Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Hg\n",
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],
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"density": 6.003192533767843,
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{
"id": "mp-1378836",
"created_at": "2022-09-04T14:39:36.067344Z",
"structure_string": "Zn2 Cu2 P4 O14\n1.0\n6.285623 0.000000 0.000000\n1.043431 6.206288 0.000000\n2.544766 1.074328 6.489596\nZn Cu P O\n2 2 4 14\ndirect\n0.716848 0.110110 0.834562 Zn\n0.283152 0.889890 0.165438 Zn\n0.902604 0.329178 0.219384 Cu\n0.097396 0.670822 0.780616 Cu\n0.776194 0.834439 0.248843 P\n0.223806 0.165561 0.751157 P\n0.364087 0.382604 0.308832 P\n0.635913 0.617396 0.691168 P\n0.387997 0.235640 0.523190 O\n0.612003 0.764360 0.476810 O\n0.936303 0.000059 0.246125 O\n0.063697 0.999941 0.753875 O\n0.735207 0.388303 0.640972 O\n0.264793 0.611697 0.359028 O\n0.387377 0.629938 0.838190 O\n0.612623 0.370062 0.161810 O\n0.388026 0.057123 0.868683 O\n0.611974 0.942877 0.131317 O\n0.070104 0.360259 0.839443 O\n0.929896 0.639741 0.160557 O\n0.790592 0.737738 0.750155 O\n0.209408 0.262262 0.249845 O\n",
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"Cu",
"P",
"O"
],
"chemical_system": "Cu-O-P-Zn",
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"formula_full": "Zn2 Cu2 P4 O14",
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"formula_anonymous": "ABC2D7",
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},
{
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