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{
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"results": [
{
"id": "mp-1380034",
"created_at": "2022-09-04T14:46:25.665896Z",
"structure_string": "Mg4 Mn4 As4 O20\n1.0\n6.066877 0.000000 0.000000\n0.000000 8.043886 0.000000\n0.000000 0.000000 8.617760\nMg Mn As O\n4 4 4 20\ndirect\n0.098069 0.841276 0.683411 Mg\n0.401931 0.158724 0.183411 Mg\n0.901931 0.341276 0.816589 Mg\n0.598069 0.658724 0.316589 Mg\n0.259586 0.751476 0.003619 Mn\n0.240414 0.248524 0.503619 Mn\n0.740414 0.251476 0.496381 Mn\n0.759586 0.748524 0.996381 Mn\n0.474091 0.098238 0.826479 As\n0.025909 0.901762 0.326479 As\n0.525909 0.598238 0.673521 As\n0.974091 0.401762 0.173521 As\n0.514634 0.909171 0.920893 O\n0.985366 0.090829 0.420893 O\n0.485366 0.409171 0.579107 O\n0.014634 0.590829 0.079107 O\n0.409027 0.238932 0.965173 O\n0.090973 0.761068 0.465173 O\n0.590973 0.738932 0.534827 O\n0.909027 0.261068 0.034827 O\n0.713917 0.149913 0.730019 O\n0.786083 0.850087 0.230019 O\n0.286083 0.649913 0.769981 O\n0.213917 0.350087 0.269981 O\n0.259658 0.070470 0.695394 O\n0.240342 0.929530 0.195394 O\n0.740342 0.570470 0.804606 O\n0.759658 0.429530 0.304606 O\n0.007309 0.853566 0.906665 O\n0.492691 0.146434 0.406665 O\n0.992691 0.353566 0.593335 O\n0.507309 0.646434 0.093335 O\n",
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],
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"volume": 420.5576063918703,
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"spacegroup": 19
},
{
"id": "mp-1175770",
"created_at": "2022-09-04T14:46:16.906610Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n3.016356 0.000000 0.000000\n0.912377 7.727859 0.000000\n0.044512 0.122707 12.516413\nLi Mn Co O\n9 2 5 16\ndirect\n0.945557 0.623269 0.811160 Li\n0.692726 0.124256 0.059893 Li\n0.444990 0.620142 0.316053 Li\n0.555010 0.379858 0.683947 Li\n0.307274 0.875744 0.940107 Li\n0.054443 0.376731 0.188840 Li\n0.183880 0.124620 0.557658 Li\n0.816120 0.875380 0.442342 Li\n0.000000 0.500000 0.500000 Li\n0.750141 0.999847 0.749228 Mn\n0.249859 0.000153 0.250772 Mn\n0.500000 0.500000 0.000000 Co\n0.390602 0.737497 0.620604 Co\n0.106263 0.253094 0.874624 Co\n0.893737 0.746906 0.125376 Co\n0.609398 0.262503 0.379396 Co\n0.373097 0.812434 0.769765 O\n0.061004 0.319274 0.022364 O\n0.869467 0.813389 0.273931 O\n0.990533 0.575395 0.653620 O\n0.741019 0.069077 0.899076 O\n0.506737 0.569820 0.149762 O\n0.603179 0.302231 0.516198 O\n0.232793 0.071424 0.398383 O\n0.493263 0.430180 0.850238 O\n0.258981 0.930923 0.100924 O\n0.009467 0.424605 0.346380 O\n0.130533 0.186611 0.726069 O\n0.938996 0.680726 0.977636 O\n0.626903 0.187566 0.230235 O\n0.767207 0.928576 0.601617 O\n0.396821 0.697769 0.483802 O\n",
"nsites": 32,
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"elements": [
"Li",
"Mn",
"Co",
"O"
],
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"density": 4.114969335679585,
"density_atomic": 0.10968021845924159,
"volume": 291.7572598735438,
"volume_molar": 5.490635270969939,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -207.38909417,
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"updated_at": "2021-11-28T01:37:26.452000Z",
"spacegroup": 2
},
{
"id": "mp-1180986",
"created_at": "2022-09-04T14:46:16.925278Z",
"structure_string": "K4 Zn2 H24 S4 O28\n1.0\n12.261613 0.000000 0.000000\n0.000000 7.956418 0.000000\n0.000000 3.646543 8.852140\nK Zn H S O\n4 2 24 4 28\ndirect\n0.681146 0.354683 0.837971 K\n0.181146 0.645317 0.662029 K\n0.318854 0.645317 0.162029 K\n0.818854 0.354683 0.337971 K\n0.500000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.138003 0.138379 0.755861 H\n0.203943 0.301388 0.967807 H\n0.638003 0.861621 0.744139 H\n0.896183 0.965188 0.643343 H\n0.964473 0.640896 0.852752 H\n0.396183 0.034812 0.856657 H\n0.019325 0.555009 0.142257 H\n0.535527 0.640896 0.352752 H\n0.480675 0.555009 0.642257 H\n0.035527 0.359104 0.147248 H\n0.780825 0.051777 0.617608 H\n0.719175 0.051777 0.117608 H\n0.703943 0.698612 0.532193 H\n0.519325 0.444991 0.357743 H\n0.361997 0.138379 0.255861 H\n0.980675 0.444991 0.857743 H\n0.103817 0.034812 0.356657 H\n0.603817 0.965188 0.143343 H\n0.219175 0.948223 0.382392 H\n0.464473 0.359104 0.647248 H\n0.296057 0.301388 0.467807 H\n0.861997 0.861621 0.244139 H\n0.796057 0.698612 0.032193 H\n0.280825 0.948223 0.882392 H\n0.120358 0.323381 0.512322 S\n0.379642 0.323381 0.012322 S\n0.879642 0.676619 0.487678 S\n0.620358 0.676619 0.987678 S\n0.971608 0.572584 0.785869 O\n0.140833 0.919841 0.375377 O\n0.028392 0.427416 0.214131 O\n0.500071 0.760385 0.480386 O\n0.388215 0.779664 0.421155 O\n0.872192 0.726073 0.304739 O\n0.127808 0.273927 0.695261 O\n0.627808 0.726073 0.804739 O\n0.640833 0.080159 0.124623 O\n0.854628 0.039859 0.087286 O\n0.859167 0.080159 0.624623 O\n0.354628 0.960141 0.412714 O\n0.611785 0.220336 0.578845 O\n0.471608 0.427416 0.714131 O\n0.359167 0.919841 0.875377 O\n0.000071 0.239615 0.019614 O\n0.254033 0.402972 0.952823 O\n0.999929 0.760385 0.980386 O\n0.754033 0.597028 0.547177 O\n0.372192 0.273927 0.195261 O\n0.245967 0.402972 0.452822 O\n0.528392 0.572584 0.285869 O\n0.145372 0.960141 0.912714 O\n0.745967 0.597028 0.047177 O\n0.111785 0.779664 0.921155 O\n0.645372 0.039859 0.587286 O\n0.499929 0.239615 0.519614 O\n0.888215 0.220336 0.078845 O\n",
"nsites": 62,
"nelements": 5,
"elements": [
"K",
"Zn",
"H",
"S",
"O"
],
"chemical_system": "H-K-O-S-Zn",
"density": 1.7067696794148064,
"density_atomic": 0.07179235828580137,
"volume": 863.6016629121091,
"volume_molar": 8.388275442946439,
"formula_full": "K4 Zn2 H24 S4 O28",
"formula_reduced": "K2ZnH12(SO7)2",
"formula_anonymous": "AB2C2D12E14",
"energy": -312.72157629,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:31.651000Z",
"spacegroup": 14
},
{
"id": "mp-20527",
"created_at": "2022-09-04T14:46:16.957930Z",
"structure_string": "La1 Fe2 Ge2\n1.0\n-2.044067 2.044067 5.428901\n2.044067 -2.044067 5.428901\n2.044067 2.044067 -5.428901\nLa Fe Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 La\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.625554 0.625554 0.000000 Ge\n0.374446 0.374446 0.000000 Ge\n",
"nsites": 5,
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"elements": [
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"Fe",
"Ge"
],
"chemical_system": "Fe-Ge-La",
"density": 7.245118986219554,
"density_atomic": 0.055107135550783976,
"volume": 90.73235162789854,
"volume_molar": 10.928059859780403,
"formula_full": "La1 Fe2 Ge2",
"formula_reduced": "La(FeGe)2",
"formula_anonymous": "AB2C2",
"energy": -33.26388672,
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"updated_at": "2021-11-28T01:37:30.792000Z",
"spacegroup": 139
},
{
"id": "mp-1214752",
"created_at": "2022-09-04T14:46:16.982217Z",
"structure_string": "Ba2 Ag1 Te2 F1\n1.0\n3.880280 0.000000 0.000000\n0.000000 3.880280 0.000000\n0.000000 0.000000 16.706570\nBa Ag Te F\n2 1 2 1\ndirect\n0.500000 0.500000 0.646683 Ba\n0.500000 0.500000 0.353318 Ba\n0.500000 0.500000 0.000000 Ag\n0.500000 0.500000 0.157800 Te\n0.500000 0.500000 0.842200 Te\n0.500000 0.500000 0.500000 F\n",
"nsites": 6,
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"elements": [
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"Ag",
"Te",
"F"
],
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"density": 4.335271629594071,
"density_atomic": 0.023852715326479323,
"volume": 251.54368875309106,
"volume_molar": 25.247191682679055,
"formula_full": "Ba2 Ag1 Te2 F1",
"formula_reduced": "Ba2AgTe2F",
"formula_anonymous": "ABC2D2",
"energy": -20.42043466,
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"spacegroup": 123
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{
"id": "mp-1223989",
"created_at": "2022-09-04T14:46:16.982941Z",
"structure_string": "Ho2 Fe1 Si4\n1.0\n0.000000 0.000000 3.977780\n4.010222 0.000000 0.000000\n2.005111 8.000586 0.000000\nHo Fe Si\n2 1 4\ndirect\n0.250000 0.605767 0.788465 Ho\n0.750000 0.388859 0.222282 Ho\n0.250000 0.250219 0.499563 Fe\n0.250000 0.960906 0.078189 Si\n0.750000 0.043332 0.913336 Si\n0.250000 0.808095 0.383810 Si\n0.750000 0.192822 0.614355 Si\n",
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],
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"formula_full": "Ho2 Fe1 Si4",
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"updated_at": "2021-11-28T01:37:29.398000Z",
"spacegroup": 38
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{
"id": "mp-1190442",
"created_at": "2022-09-04T14:46:17.020942Z",
"structure_string": "Fe4 Se4 O12 F4\n1.0\n5.275289 0.000000 0.000000\n0.000000 5.051162 0.000000\n0.000000 3.413035 12.043661\nFe Se O F\n4 4 12 4\ndirect\n0.753744 0.385783 0.571369 Fe\n0.746256 0.385783 0.071369 Fe\n0.246256 0.614217 0.428631 Fe\n0.253744 0.614217 0.928631 Fe\n0.857816 0.181087 0.833771 Se\n0.642184 0.181087 0.333771 Se\n0.142184 0.818913 0.166229 Se\n0.357816 0.818913 0.666229 Se\n0.126944 0.980487 0.846209 O\n0.373056 0.980487 0.346209 O\n0.873056 0.019513 0.153791 O\n0.626944 0.019513 0.653791 O\n0.938720 0.386437 0.924568 O\n0.561280 0.386437 0.424568 O\n0.061280 0.613563 0.075432 O\n0.438720 0.613563 0.575432 O\n0.923124 0.415344 0.708523 O\n0.576876 0.415344 0.208523 O\n0.076876 0.584656 0.291477 O\n0.423124 0.584656 0.791477 O\n0.064963 0.259429 0.509569 F\n0.435037 0.259429 0.009569 F\n0.935037 0.740571 0.490431 F\n0.564963 0.740571 0.990431 F\n",
"nsites": 24,
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"formula_full": "Fe4 Se4 O12 F4",
"formula_reduced": "FeSeO3F",
"formula_anonymous": "ABCD3",
"energy": -155.50228070999998,
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"updated_at": "2021-11-28T01:37:29.832000Z",
"spacegroup": 14
},
{
"id": "mp-774604",
"created_at": "2022-09-04T14:46:17.031252Z",
"structure_string": "Li4 Mn3 Co3 W2 O16\n1.0\n2.950127 5.219313 0.000000\n-2.950127 5.219313 0.000000\n0.000000 0.291476 9.858360\nLi Mn Co W O\n4 3 3 2 16\ndirect\n0.662153 0.662153 0.092799 Li\n0.997890 0.997890 0.010001 Li\n0.001560 0.001560 0.515593 Li\n0.332338 0.332338 0.592840 Li\n0.832167 0.832167 0.789350 Mn\n0.168198 0.658234 0.285618 Mn\n0.658234 0.168198 0.285618 Mn\n0.350854 0.813315 0.783392 Co\n0.813315 0.350854 0.783392 Co\n0.169168 0.169168 0.286798 Co\n0.666566 0.666566 0.514168 W\n0.320382 0.320382 0.012688 W\n0.351762 0.833846 0.417271 O\n0.517307 0.517307 0.644789 O\n0.668689 0.668689 0.886988 O\n0.998771 0.998771 0.704525 O\n0.996717 0.996717 0.198954 O\n0.833846 0.351762 0.417271 O\n0.521974 0.960183 0.647758 O\n0.960183 0.521974 0.647758 O\n0.171153 0.171153 0.911219 O\n0.833632 0.833632 0.407975 O\n0.032826 0.479739 0.142636 O\n0.479739 0.032826 0.142636 O\n0.337999 0.337999 0.385770 O\n0.175402 0.651985 0.913617 O\n0.476553 0.476553 0.157149 O\n0.651985 0.175402 0.913617 O\n",
"nsites": 28,
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"elements": [
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"Co",
"W",
"O"
],
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"density": 5.431636118959434,
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"volume": 303.5908816715047,
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"formula_full": "Li4 Mn3 Co3 W2 O16",
"formula_reduced": "Li4Mn3Co3(WO8)2",
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"updated_at": "2021-11-28T01:37:28.096000Z",
"spacegroup": 8
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{
"id": "mp-17525",
"created_at": "2022-09-04T14:46:17.067152Z",
"structure_string": "Nb10 Pt6 O2\n1.0\n4.030246 -6.980591 0.000000\n4.030246 6.980591 0.000000\n0.000000 0.000000 5.078382\nNb Pt O\n10 6 2\ndirect\n0.237541 0.237541 0.750000 Nb\n0.333333 0.666667 0.500000 Nb\n0.237541 0.000000 0.250000 Nb\n0.762459 0.000000 0.750000 Nb\n0.000000 0.762459 0.750000 Nb\n0.000000 0.237541 0.250000 Nb\n0.762459 0.762459 0.250000 Nb\n0.333333 0.666667 0.000000 Nb\n0.666667 0.333333 0.500000 Nb\n0.666667 0.333333 0.000000 Nb\n0.000000 0.404224 0.750000 Pt\n0.000000 0.595776 0.250000 Pt\n0.404224 0.404224 0.250000 Pt\n0.404224 0.000000 0.750000 Pt\n0.595776 0.595776 0.750000 Pt\n0.595776 0.000000 0.250000 Pt\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 18,
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"O"
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"density": 12.387078619029333,
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"volume": 285.7453093841022,
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"formula_full": "Nb10 Pt6 O2",
"formula_reduced": "Nb5Pt3O",
"formula_anonymous": "AB3C5",
"energy": -163.74041224999996,
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{
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"elements": [
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],
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"formula_full": "K4 Li28 H64 N32",
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"updated_at": "2021-11-28T01:37:28.363000Z",
"spacegroup": 88
},
{
"id": "mp-1034284",
"created_at": "2022-09-04T14:46:16.912928Z",
"structure_string": "Rb1 Mg14 B1 O15\n1.0\n4.524233 0.000000 0.000000\n0.000000 8.269014 0.000000\n0.000000 0.000000 8.922557\nRb Mg B O\n1 14 1 15\ndirect\n0.000000 0.000000 0.964178 Rb\n0.000000 0.000000 0.496343 Mg\n0.000000 0.500000 0.494773 Mg\n0.500000 0.740159 0.009452 Mg\n0.500000 0.259841 0.009452 Mg\n0.500000 0.746465 0.489498 Mg\n0.500000 0.253535 0.489498 Mg\n0.500000 0.000000 0.724363 Mg\n0.500000 0.500000 0.771151 Mg\n0.500000 0.000000 0.252159 Mg\n0.500000 0.500000 0.246727 Mg\n0.000000 0.734710 0.727711 Mg\n0.000000 0.265290 0.727711 Mg\n0.000000 0.756945 0.254545 Mg\n0.000000 0.243055 0.254545 Mg\n0.000000 0.500000 0.067705 B\n0.000000 0.500000 0.719431 O\n0.000000 0.000000 0.268715 O\n0.000000 0.500000 0.235488 O\n0.500000 0.750101 0.757477 O\n0.500000 0.249899 0.757477 O\n0.500000 0.747392 0.251329 O\n0.500000 0.252608 0.251329 O\n0.500000 0.000000 0.028672 O\n0.500000 0.500000 0.013415 O\n0.500000 0.000000 0.492939 O\n0.500000 0.500000 0.484136 O\n0.000000 0.665596 0.016250 O\n0.000000 0.334404 0.016250 O\n0.000000 0.744431 0.488640 O\n0.000000 0.255569 0.488640 O\n",
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{
"id": "mp-1196973",
"created_at": "2022-09-04T14:46:16.916578Z",
"structure_string": "Tm8 B24 Ru4\n1.0\n3.621581 0.000000 0.000000\n0.000000 9.064576 0.000000\n0.000000 0.000000 11.431167\nTm B Ru\n8 24 4\ndirect\n0.000000 0.321579 0.414199 Tm\n0.000000 0.678421 0.585801 Tm\n0.000000 0.821579 0.085801 Tm\n0.000000 0.178421 0.914199 Tm\n0.000000 0.944369 0.372827 Tm\n0.000000 0.055631 0.627173 Tm\n0.000000 0.444369 0.127173 Tm\n0.000000 0.555631 0.872827 Tm\n0.500000 0.553985 0.433461 B\n0.500000 0.446015 0.566539 B\n0.500000 0.053985 0.066539 B\n0.500000 0.946015 0.933461 B\n0.500000 0.749201 0.420374 B\n0.500000 0.250799 0.579626 B\n0.500000 0.249201 0.079626 B\n0.500000 0.750799 0.920374 B\n0.500000 0.792110 0.266052 B\n0.500000 0.207890 0.733948 B\n0.500000 0.292110 0.233948 B\n0.500000 0.707890 0.766052 B\n0.500000 0.632077 0.184607 B\n0.500000 0.367923 0.815393 B\n0.500000 0.132077 0.315393 B\n0.500000 0.867923 0.684607 B\n0.500000 0.983224 0.212925 B\n0.500000 0.016776 0.787075 B\n0.500000 0.483224 0.287075 B\n0.500000 0.516776 0.712925 B\n0.500000 0.608551 0.029792 B\n0.500000 0.391449 0.970208 B\n0.500000 0.108551 0.470208 B\n0.500000 0.891449 0.529792 B\n0.000000 0.638483 0.320889 Ru\n0.000000 0.361517 0.679111 Ru\n0.000000 0.138483 0.179111 Ru\n0.000000 0.861517 0.820889 Ru\n",
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]
}