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"results": [
{
"id": "mp-1202088",
"created_at": "2022-09-04T14:40:55.653315Z",
"structure_string": "Mg4 B8 H32\n1.0\n-4.189958 4.189958 5.332222\n4.189958 -4.189958 5.332222\n4.189958 4.189958 -5.332222\nMg B H\n4 8 32\ndirect\n0.750000 0.250000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.250000 0.750000 0.500000 Mg\n0.644124 0.409561 0.765437 B\n0.159561 0.894124 0.265437 B\n0.628687 0.894124 0.734563 B\n0.644124 0.878687 0.234563 B\n0.105876 0.840439 0.734563 B\n0.590439 0.355876 0.234563 B\n0.121313 0.355876 0.765437 B\n0.105876 0.371313 0.265437 B\n0.737752 0.450537 0.958167 H\n0.492371 0.450537 0.712785 H\n0.200537 0.987752 0.458167 H\n0.529586 0.987753 0.787215 H\n0.737752 0.779586 0.287215 H\n0.492371 0.779586 0.041833 H\n0.200537 0.742371 0.212785 H\n0.529586 0.742371 0.541833 H\n0.012247 0.799463 0.541833 H\n0.257629 0.799463 0.787215 H\n0.549463 0.262247 0.041833 H\n0.220414 0.262247 0.712785 H\n0.012247 0.470414 0.212785 H\n0.257629 0.470414 0.458167 H\n0.549463 0.507629 0.287215 H\n0.220414 0.507629 0.958167 H\n0.588199 0.950915 0.362716 H\n0.700915 0.838199 0.862716 H\n0.975484 0.838199 0.137284 H\n0.588199 0.225484 0.637284 H\n0.161801 0.299085 0.137284 H\n0.049085 0.411801 0.637284 H\n0.774516 0.411801 0.362716 H\n0.161801 0.024516 0.862716 H\n0.758486 0.511456 0.752970 H\n0.261456 0.008486 0.252970 H\n0.755516 0.008486 0.747030 H\n0.758486 0.005516 0.247030 H\n0.991514 0.738544 0.747030 H\n0.488544 0.241514 0.247030 H\n0.994484 0.241514 0.752970 H\n0.991514 0.244484 0.252970 H\n",
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{
"id": "mp-1026578",
"created_at": "2022-09-04T14:40:55.656355Z",
"structure_string": "Ba1 Mg14 Ga1\n1.0\n6.647034 0.082076 0.000000\n-3.252437 5.633385 0.000000\n0.000000 0.000000 10.468030\nBa Mg Ga\n1 14 1\ndirect\n0.148145 0.324072 0.125000 Ba\n0.168081 0.334040 0.625000 Mg\n0.159163 0.829581 0.625000 Mg\n0.643240 0.312704 0.125000 Mg\n0.667599 0.340649 0.625000 Mg\n0.643240 0.830536 0.125000 Mg\n0.667599 0.826949 0.625000 Mg\n0.338610 0.160543 0.388025 Mg\n0.338610 0.160543 0.861975 Mg\n0.338610 0.678068 0.388025 Mg\n0.338610 0.678068 0.861975 Mg\n0.820723 0.160362 0.393119 Mg\n0.820723 0.160362 0.856881 Mg\n0.844584 0.672293 0.358609 Mg\n0.844584 0.672293 0.891391 Mg\n0.217878 0.858938 0.125000 Ga\n",
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"formula_full": "Ba1 Mg14 Ga1",
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"updated_at": "2021-11-28T01:35:01.094000Z",
"spacegroup": 38
},
{
"id": "mp-1075040",
"created_at": "2022-09-04T14:40:55.659648Z",
"structure_string": "Mg6 Si8\n1.0\n4.598123 0.000000 0.000000\n0.096932 7.416494 0.000000\n0.228396 3.062291 7.324351\nMg Si\n6 8\ndirect\n0.178664 0.798484 0.478170 Mg\n0.669847 0.959661 0.191985 Mg\n0.689159 0.417848 0.098608 Mg\n0.178479 0.664862 0.148693 Mg\n0.681885 0.093684 0.518585 Mg\n0.676020 0.258570 0.797733 Mg\n0.192298 0.198468 0.317688 Si\n0.182431 0.363566 0.557792 Si\n0.677184 0.652337 0.704585 Si\n0.177582 0.510256 0.815987 Si\n0.166665 0.170103 0.014386 Si\n0.672725 0.851861 0.882091 Si\n0.688641 0.556378 0.425990 Si\n0.174958 0.004062 0.800988 Si\n",
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"formula_full": "Mg6 Si8",
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"updated_at": "2021-11-28T01:35:00.536000Z",
"spacegroup": 1
},
{
"id": "mp-1104930",
"created_at": "2022-09-04T14:40:55.662188Z",
"structure_string": "K2 La2 Ti2 O8\n1.0\n3.870388 0.000000 0.000000\n0.000000 3.870388 0.000000\n0.000000 0.000000 13.604850\nK La Ti O\n2 2 2 8\ndirect\n0.750000 0.750000 0.404959 K\n0.250000 0.250000 0.595041 K\n0.750000 0.750000 0.104341 La\n0.250000 0.250000 0.895659 La\n0.250000 0.250000 0.257383 Ti\n0.750000 0.750000 0.742617 Ti\n0.750000 0.250000 0.226136 O\n0.250000 0.750000 0.226136 O\n0.250000 0.750000 0.773864 O\n0.750000 0.250000 0.773864 O\n0.750000 0.750000 0.613419 O\n0.250000 0.250000 0.386581 O\n0.750000 0.750000 0.932832 O\n0.250000 0.250000 0.067168 O\n",
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"K",
"La",
"Ti",
"O"
],
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"density_atomic": 0.0686950222968348,
"volume": 203.79933701026056,
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"formula_full": "K2 La2 Ti2 O8",
"formula_reduced": "KLaTiO4",
"formula_anonymous": "ABCD4",
"energy": -114.91522003,
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"updated_at": "2021-11-28T01:34:57.809000Z",
"spacegroup": 129
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{
"id": "mp-770847",
"created_at": "2022-09-04T14:40:55.664158Z",
"structure_string": "La8 Cd8 O20\n1.0\n6.022770 0.000000 0.000000\n0.000000 6.221444 0.000000\n0.000000 0.000000 16.048174\nLa Cd O\n8 8 20\ndirect\n0.492681 0.937931 0.115824 La\n0.492681 0.937931 0.384176 La\n0.992681 0.562069 0.615824 La\n0.992681 0.562069 0.884176 La\n0.007319 0.437931 0.115824 La\n0.007319 0.437931 0.384176 La\n0.507319 0.062069 0.615824 La\n0.507319 0.062069 0.884176 La\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.023579 0.072281 0.750000 Cd\n0.523579 0.427719 0.250000 Cd\n0.500000 0.500000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.476421 0.572281 0.750000 Cd\n0.976421 0.927719 0.250000 Cd\n0.135257 0.073498 0.140256 O\n0.135257 0.073498 0.359744 O\n0.621399 0.072310 0.250000 O\n0.183510 0.312545 0.535187 O\n0.183510 0.312545 0.964813 O\n0.683510 0.187455 0.464813 O\n0.683510 0.187455 0.035187 O\n0.121399 0.427690 0.750000 O\n0.635257 0.426502 0.640256 O\n0.635257 0.426502 0.859744 O\n0.364743 0.573498 0.140256 O\n0.364743 0.573498 0.359744 O\n0.878601 0.572310 0.250000 O\n0.316490 0.812545 0.964813 O\n0.316490 0.812545 0.535187 O\n0.816490 0.687455 0.035187 O\n0.816490 0.687455 0.464813 O\n0.378601 0.927690 0.750000 O\n0.864743 0.926502 0.640256 O\n0.864743 0.926502 0.859744 O\n",
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],
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"density": 6.43559621749698,
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"volume": 601.330315976287,
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"formula_full": "La8 Cd8 O20",
"formula_reduced": "La2Cd2O5",
"formula_anonymous": "A2B2C5",
"energy": -242.29705799,
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"spacegroup": 62
},
{
"id": "mp-1018658",
"created_at": "2022-09-04T14:40:55.668925Z",
"structure_string": "Ca2 Co2 Si2\n1.0\n3.949252 0.000000 0.000000\n0.000000 3.949252 0.000000\n0.000000 0.000000 7.125773\nCa Co Si\n2 2 2\ndirect\n0.000000 0.500000 0.322931 Ca\n0.500000 0.000000 0.677069 Ca\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.832936 Si\n0.500000 0.000000 0.167064 Si\n",
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"formula_full": "Ca2 Co2 Si2",
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{
"id": "mp-570711",
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"structure_string": "Yb12 Ge12 Au12\n1.0\n4.530002 0.000000 0.000000\n0.000000 7.787658 0.000000\n0.000000 0.000000 21.351093\nYb Ge Au\n12 12 12\ndirect\n0.250000 0.788053 0.166083 Yb\n0.250000 0.781027 0.500742 Yb\n0.250000 0.711523 0.332829 Yb\n0.750000 0.218973 0.499258 Yb\n0.750000 0.288477 0.667171 Yb\n0.750000 0.281027 0.999258 Yb\n0.250000 0.788477 0.832829 Yb\n0.250000 0.718973 0.000742 Yb\n0.750000 0.211523 0.167171 Yb\n0.750000 0.288053 0.333917 Yb\n0.250000 0.711947 0.666083 Yb\n0.750000 0.211947 0.833917 Yb\n0.250000 0.413368 0.897165 Ge\n0.750000 0.916705 0.729089 Ge\n0.750000 0.583295 0.229089 Ge\n0.250000 0.089070 0.070179 Ge\n0.750000 0.910930 0.929821 Ge\n0.750000 0.913368 0.602835 Ge\n0.250000 0.410930 0.570179 Ge\n0.250000 0.086632 0.397165 Ge\n0.250000 0.083295 0.270911 Ge\n0.750000 0.589070 0.429821 Ge\n0.250000 0.416705 0.770911 Ge\n0.750000 0.586632 0.102835 Ge\n0.750000 0.582917 0.907571 Au\n0.250000 0.416134 0.432186 Au\n0.750000 0.583866 0.567814 Au\n0.750000 0.917083 0.407571 Au\n0.250000 0.417083 0.092429 Au\n0.250000 0.412985 0.239800 Au\n0.750000 0.912985 0.260200 Au\n0.250000 0.087015 0.739800 Au\n0.250000 0.083866 0.932186 Au\n0.750000 0.916134 0.067814 Au\n0.250000 0.082917 0.592429 Au\n0.750000 0.587015 0.760200 Au\n",
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{
"id": "mp-1225788",
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"structure_string": "Cu2 Ni1 Sb1\n1.0\n0.000000 3.057482 3.057482\n3.057482 0.000000 3.057482\n3.057482 3.057482 0.000000\nCu Ni Sb\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Cu\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Sb\n",
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{
"id": "mp-762679",
"created_at": "2022-09-04T14:40:55.670606Z",
"structure_string": "V2 Te8 O24\n1.0\n-0.084841 2.893921 -4.262466\n6.966877 6.815927 4.825923\n4.701038 -6.434098 -4.354271\nV Te O\n2 8 24\ndirect\n0.015900 0.966487 0.671679 V\n0.016150 0.466580 0.171921 V\n0.975168 0.461185 0.494254 Te\n0.975149 0.961198 0.994135 Te\n0.516205 0.992354 0.489102 Te\n0.516159 0.492378 0.989176 Te\n0.957958 0.776468 0.254973 Te\n0.957940 0.276456 0.755090 Te\n0.508016 0.189120 0.233586 Te\n0.508045 0.689140 0.733580 Te\n0.318146 0.576588 0.175568 O\n0.318061 0.076556 0.675474 O\n0.124459 0.857559 0.122649 O\n0.124442 0.357597 0.622860 O\n0.293813 0.066475 0.054550 O\n0.293825 0.566484 0.554602 O\n0.203081 0.878790 0.452306 O\n0.202891 0.378777 0.952406 O\n0.819203 0.088542 0.178159 O\n0.819224 0.588528 0.678197 O\n0.378658 0.108179 0.384395 O\n0.378671 0.608190 0.884416 O\n0.706908 0.375080 0.077705 O\n0.706773 0.875024 0.577619 O\n0.132001 0.362180 0.286360 O\n0.131790 0.862123 0.786141 O\n0.827855 0.598164 0.063939 O\n0.828049 0.098001 0.563632 O\n0.689602 0.339620 0.442698 O\n0.689630 0.839592 0.942685 O\n0.880361 0.566827 0.361488 O\n0.880294 0.066826 0.861383 O\n0.652792 0.885428 0.286246 O\n0.652775 0.385405 0.786330 O\n",
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{
"id": "mp-1217523",
"created_at": "2022-09-04T14:40:55.681831Z",
"structure_string": "Tb1 In7 Cu5\n1.0\n-2.820333 4.732149 4.737716\n2.820333 -4.732149 4.737716\n2.820333 4.732149 -4.737716\nTb In Cu\n1 7 5\ndirect\n0.001453 0.001453 0.000000 Tb\n0.658056 0.658056 0.000000 In\n0.334106 0.334106 0.000000 In\n0.329155 0.988656 0.340499 In\n0.648157 0.988656 0.659501 In\n0.775812 0.275812 0.500000 In\n0.810310 0.511756 0.298554 In\n0.213202 0.511756 0.701446 In\n0.496592 0.500240 0.493462 Cu\n0.496593 0.003130 0.996353 Cu\n0.006777 0.500240 0.003647 Cu\n0.006777 0.003130 0.506538 Cu\n0.223010 0.723010 0.500000 Cu\n",
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{
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{
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"structure_string": "Ba2 Tl2 Ni4 O12\n1.0\n2.598316 2.585127 0.000000\n-2.598316 2.585127 0.000000\n0.000000 2.428243 23.004237\nBa Tl Ni O\n2 2 4 12\ndirect\n0.840908 0.841631 0.812415 Ba\n0.158369 0.159092 0.187585 Ba\n0.278871 0.272530 0.947231 Tl\n0.727470 0.721129 0.052769 Tl\n0.464752 0.454611 0.574069 Ni\n0.610252 0.610256 0.289270 Ni\n0.389744 0.389748 0.710730 Ni\n0.545389 0.535248 0.425931 Ni\n0.621442 0.118162 0.272347 O\n0.464784 0.954964 0.573516 O\n0.762633 0.774083 0.961351 O\n0.045036 0.535216 0.426484 O\n0.225917 0.237367 0.038649 O\n0.881838 0.378558 0.727653 O\n0.386482 0.890615 0.725032 O\n0.683459 0.681420 0.141490 O\n0.109385 0.613518 0.274968 O\n0.964282 0.454671 0.574847 O\n0.545329 0.035718 0.425153 O\n0.318580 0.316541 0.858510 O\n",
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]
}