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{
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"results": [
{
"id": "mp-1026529",
"created_at": "2022-09-04T14:40:10.443008Z",
"structure_string": "Mg14 Nb1 Mo1\n1.0\n6.325291 0.138103 0.000000\n-3.043045 5.270708 0.000000\n0.000000 0.000000 10.033562\nMg Nb Mo\n14 1 1\ndirect\n0.166795 0.333397 0.625000 Mg\n0.165171 0.832585 0.625000 Mg\n0.660482 0.328496 0.125000 Mg\n0.663592 0.332698 0.625000 Mg\n0.660482 0.831985 0.125000 Mg\n0.663592 0.830894 0.625000 Mg\n0.327891 0.161949 0.363542 Mg\n0.327891 0.161949 0.886458 Mg\n0.327891 0.665943 0.363542 Mg\n0.327891 0.665943 0.886458 Mg\n0.847315 0.173658 0.371602 Mg\n0.847315 0.173658 0.878398 Mg\n0.850378 0.675190 0.364748 Mg\n0.850378 0.675190 0.885252 Mg\n0.156029 0.328014 0.125000 Nb\n0.156905 0.828452 0.125000 Mo\n",
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"spacegroup": 38
},
{
"id": "mp-1046822",
"created_at": "2022-09-04T14:41:53.866817Z",
"structure_string": "Mg4 Nb4 Mo2 O16\n1.0\n3.006574 9.747424 0.000000\n-3.006574 9.747424 0.000000\n0.000000 0.034551 5.336670\nMg Nb Mo O\n4 4 2 16\ndirect\n0.874680 0.576036 0.262813 Mg\n0.423964 0.125320 0.237187 Mg\n0.125320 0.423964 0.737187 Mg\n0.576036 0.874680 0.762813 Mg\n0.040220 0.721940 0.243515 Nb\n0.278060 0.959780 0.256485 Nb\n0.959780 0.278060 0.756485 Nb\n0.721940 0.040220 0.743515 Nb\n0.652940 0.347060 0.250000 Mo\n0.347060 0.652940 0.750000 Mo\n0.045780 0.813147 0.575067 O\n0.186853 0.954220 0.924933 O\n0.954220 0.186853 0.424933 O\n0.813147 0.045780 0.075067 O\n0.319623 0.562758 0.092831 O\n0.437242 0.680377 0.407169 O\n0.680377 0.437242 0.907169 O\n0.562758 0.319623 0.592831 O\n0.920391 0.710323 0.944030 O\n0.289677 0.079609 0.555970 O\n0.453091 0.158274 0.871343 O\n0.841726 0.546909 0.628657 O\n0.546909 0.841726 0.128657 O\n0.158274 0.453091 0.371343 O\n0.710323 0.920391 0.444030 O\n0.079609 0.289677 0.055970 O\n",
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"elements": [
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],
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"formula_full": "Mg4 Nb4 Mo2 O16",
"formula_reduced": "Mg2Nb2MoO8",
"formula_anonymous": "AB2C2D8",
"energy": -219.47740635999995,
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"updated_at": "2021-11-28T01:35:32.267000Z",
"spacegroup": 15
},
{
"id": "mp-1028379",
"created_at": "2022-09-04T14:39:05.895323Z",
"structure_string": "Mg14 Ni1 Mo1\n1.0\n6.259023 -0.000000 -0.000000\n-3.129512 5.420473 0.000000\n0.000000 -0.000000 9.730772\nMg Ni Mo\n14 1 1\ndirect\n0.164823 0.832411 0.125000 Mg\n0.171683 0.835841 0.625000 Mg\n0.667589 0.335177 0.125000 Mg\n0.664159 0.328317 0.625000 Mg\n0.667589 0.832411 0.125000 Mg\n0.664159 0.835841 0.625000 Mg\n0.323145 0.176854 0.371759 Mg\n0.323145 0.176854 0.878241 Mg\n0.323145 0.646292 0.371759 Mg\n0.323145 0.646292 0.878241 Mg\n0.853708 0.176854 0.371759 Mg\n0.853708 0.176854 0.878241 Mg\n0.833333 0.666667 0.378367 Mg\n0.833333 0.666667 0.871633 Mg\n0.166667 0.333333 0.125000 Ni\n0.166667 0.333333 0.625000 Mo\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"Mo"
],
"chemical_system": "Mg-Mo-Ni",
"density": 2.4893072567418018,
"density_atomic": 0.048465082115561615,
"volume": 330.13458972068,
"volume_molar": 12.425731056517401,
"formula_full": "Mg14 Ni1 Mo1",
"formula_reduced": "Mg14NiMo",
"formula_anonymous": "ABC14",
"energy": -37.12562726,
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"updated_at": "2021-11-28T01:34:36.544000Z",
"spacegroup": 187
},
{
"id": "mp-1028358",
"created_at": "2022-09-04T14:45:58.632537Z",
"structure_string": "Mg14 Ni1 Mo1\n1.0\n6.246240 0.023334 0.000000\n-3.102912 5.374401 0.000000\n0.000000 0.000000 9.772631\nMg Ni Mo\n14 1 1\ndirect\n0.170360 0.335179 0.625000 Mg\n0.172250 0.836125 0.625000 Mg\n0.669587 0.339271 0.125000 Mg\n0.664677 0.330781 0.625000 Mg\n0.669587 0.830316 0.125000 Mg\n0.664677 0.833895 0.625000 Mg\n0.322804 0.162029 0.353962 Mg\n0.322804 0.162029 0.896038 Mg\n0.322804 0.660777 0.353962 Mg\n0.322804 0.660777 0.896038 Mg\n0.849028 0.174515 0.362202 Mg\n0.849028 0.174515 0.887798 Mg\n0.844630 0.672316 0.371466 Mg\n0.844630 0.672316 0.878534 Mg\n0.160087 0.330043 0.125000 Ni\n0.150239 0.825119 0.125000 Mo\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Ni",
"Mo"
],
"chemical_system": "Mg-Mo-Ni",
"density": 2.499617876274967,
"density_atomic": 0.04866582271155827,
"volume": 328.77282471585454,
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"formula_full": "Mg14 Ni1 Mo1",
"formula_reduced": "Mg14NiMo",
"formula_anonymous": "ABC14",
"energy": -37.10645108,
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"updated_at": "2021-11-28T01:37:09.878000Z",
"spacegroup": 38
},
{
"id": "mp-1021897",
"created_at": "2022-09-04T14:46:53.898774Z",
"structure_string": "Mg12 Ni2 Mo2\n1.0\n4.752805 0.000000 0.000000\n0.000000 5.974600 0.000000\n0.000000 0.000000 10.540444\nMg Ni Mo\n12 2 2\ndirect\n0.500000 0.252283 0.419023 Mg\n0.500000 0.747717 0.419023 Mg\n0.000000 0.750228 0.089262 Mg\n0.000000 0.249772 0.089262 Mg\n0.000000 0.000000 0.321343 Mg\n0.000000 0.500000 0.324628 Mg\n0.500000 0.752283 0.919023 Mg\n0.500000 0.247717 0.919023 Mg\n0.000000 0.250228 0.589262 Mg\n0.000000 0.749772 0.589262 Mg\n0.000000 0.500000 0.821343 Mg\n0.000000 0.000000 0.824628 Mg\n0.500000 0.000000 0.167085 Ni\n0.500000 0.500000 0.667085 Ni\n0.500000 0.500000 0.170370 Mo\n0.500000 0.000000 0.670370 Mo\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Mg-Mo-Ni",
"density": 3.333902804808766,
"density_atomic": 0.05345671247188299,
"volume": 299.3075941289064,
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"formula_full": "Mg12 Ni2 Mo2",
"formula_reduced": "Mg6NiMo",
"formula_anonymous": "ABC6",
"energy": -48.71101453,
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"updated_at": "2021-11-28T01:37:36.312000Z",
"spacegroup": 38
},
{
"id": "mp-1021737",
"created_at": "2022-09-04T14:43:06.703689Z",
"structure_string": "Mg12 Ni2 Mo2\n1.0\n4.713478 0.000000 0.000000\n0.000000 5.871159 0.000000\n0.000000 0.000000 10.748221\nMg Ni Mo\n12 2 2\ndirect\n0.000000 0.738812 0.084790 Mg\n0.000000 0.261188 0.084790 Mg\n0.000000 0.000000 0.328506 Mg\n0.500000 0.257916 0.420943 Mg\n0.500000 0.742084 0.420943 Mg\n0.500000 0.000000 0.169556 Mg\n0.000000 0.238812 0.584790 Mg\n0.000000 0.761188 0.584790 Mg\n0.000000 0.500000 0.828506 Mg\n0.500000 0.757916 0.920943 Mg\n0.500000 0.242084 0.920943 Mg\n0.500000 0.500000 0.669556 Mg\n0.000000 0.500000 0.303263 Ni\n0.000000 0.000000 0.803263 Ni\n0.500000 0.500000 0.187211 Mo\n0.500000 0.000000 0.687211 Mo\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"Mo"
],
"chemical_system": "Mg-Mo-Ni",
"density": 3.3548163938154305,
"density_atomic": 0.05379204669718549,
"volume": 297.44174059912007,
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"formula_full": "Mg12 Ni2 Mo2",
"formula_reduced": "Mg6NiMo",
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"spacegroup": 38
},
{
"id": "mp-1043146",
"created_at": "2022-09-04T14:39:30.372088Z",
"structure_string": "Mg4 Ni4 Mo4 P8 O36\n1.0\n6.466110 -0.001879 0.003097\n-0.002170 7.617730 -0.002655\n0.006871 -0.005351 14.156618\nMg Ni Mo P O\n4 4 4 8 36\ndirect\n0.750093 0.947317 0.784105 Mg\n0.749986 0.552792 0.283984 Mg\n0.249929 0.052499 0.215891 Mg\n0.250075 0.447315 0.715981 Mg\n0.500010 0.000047 0.000038 Ni\n0.499945 0.499987 0.500044 Ni\n0.999942 0.499964 0.500064 Ni\n0.999952 0.000094 0.999963 Ni\n0.750159 0.358098 0.883022 Mo\n0.249878 0.641975 0.116951 Mo\n0.250208 0.859032 0.617208 Mo\n0.749848 0.141001 0.382786 Mo\n0.250140 0.347582 0.925310 P\n0.749879 0.652497 0.074652 P\n0.750130 0.847461 0.574654 P\n0.249861 0.152522 0.425331 P\n0.750064 0.377890 0.688653 P\n0.249961 0.622028 0.311360 P\n0.250134 0.877755 0.811669 P\n0.749913 0.122235 0.188322 P\n0.042804 0.615356 0.366353 O\n0.542871 0.384657 0.633809 O\n0.957078 0.115343 0.133625 O\n0.457064 0.884478 0.866174 O\n0.957221 0.384556 0.633689 O\n0.457125 0.615240 0.366213 O\n0.042905 0.884687 0.866309 O\n0.542952 0.115550 0.133831 O\n0.249658 0.334599 0.470363 O\n0.750117 0.665363 0.529716 O\n0.750001 0.834535 0.029675 O\n0.249946 0.165544 0.970299 O\n0.749048 0.127905 0.936720 O\n0.250669 0.872206 0.063273 O\n0.250114 0.627419 0.563345 O\n0.749756 0.372450 0.436827 O\n0.749990 0.207409 0.752475 O\n0.250074 0.792539 0.247548 O\n0.249760 0.707451 0.747248 O\n0.750316 0.292547 0.252752 O\n0.431548 0.123593 0.356096 O\n0.931828 0.876765 0.643769 O\n0.568401 0.623390 0.143963 O\n0.068397 0.376607 0.856165 O\n0.568489 0.876492 0.643949 O\n0.068232 0.123194 0.356215 O\n0.431640 0.376633 0.856013 O\n0.931642 0.623422 0.143786 O\n0.749808 0.974078 0.265150 O\n0.250265 0.025877 0.734808 O\n0.250031 0.473995 0.234703 O\n0.749988 0.526020 0.765261 O\n0.750033 0.986332 0.495857 O\n0.250063 0.013545 0.504094 O\n0.249938 0.486713 0.004073 O\n0.750123 0.513420 0.995868 O\n",
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"density": 3.666123076281883,
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"volume": 697.3133555828704,
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"formula_full": "Mg4 Ni4 Mo4 P8 O36",
"formula_reduced": "MgNiMoP2O9",
"formula_anonymous": "ABCD2E9",
"energy": -429.79667553,
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"updated_at": "2021-11-28T01:34:24.106000Z",
"spacegroup": 62
},
{
"id": "mp-1246946",
"created_at": "2022-09-04T14:45:08.786999Z",
"structure_string": "Mg2 Ni2 Mo2 S8\n1.0\n6.302821 0.002342 3.643174\n1.975165 5.873890 3.864959\n-0.006651 0.266769 7.297960\nMg Ni Mo S\n2 2 2 8\ndirect\n0.868949 0.880152 0.879654 Mg\n0.130986 0.119922 0.120408 Mg\n0.499987 0.499992 0.499971 Ni\n0.000045 0.499982 0.499990 Ni\n0.499963 0.500667 0.999395 Mo\n0.499978 0.999388 0.500667 Mo\n0.753990 0.734475 0.734328 S\n0.268650 0.267058 0.698332 S\n0.268721 0.698369 0.266930 S\n0.723102 0.264694 0.264800 S\n0.731268 0.301699 0.733010 S\n0.276610 0.735240 0.735148 S\n0.246398 0.265463 0.265641 S\n0.731357 0.732897 0.301725 S\n",
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"elements": [
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"spacegroup": 74
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{
"id": "mp-1247087",
"created_at": "2022-09-04T14:45:11.761321Z",
"structure_string": "Mg2 Ni3 Mo1 S8\n1.0\n6.145791 -0.000434 3.549591\n2.048550 5.851739 3.549055\n0.000176 -0.000584 7.098880\nMg Ni Mo S\n2 3 1 8\ndirect\n0.872226 0.883344 0.872311 Mg\n0.127775 0.116657 0.127687 Mg\n0.499997 0.500005 0.499996 Ni\n0.500004 0.499994 0.000004 Ni\n0.000002 0.499998 0.500005 Ni\n0.499992 0.000000 0.500007 Mo\n0.741435 0.724064 0.741450 S\n0.258583 0.275796 0.706993 S\n0.268293 0.695320 0.268203 S\n0.707038 0.275842 0.258537 S\n0.731703 0.304679 0.731791 S\n0.292967 0.724151 0.741460 S\n0.258564 0.275936 0.258553 S\n0.741426 0.724209 0.293005 S\n",
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"formula_full": "Mg2 Ni3 Mo1 S8",
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},
{
"id": "mp-1246841",
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"structure_string": "Mg2 Ni1 Mo3 S8\n1.0\n6.338603 0.000373 3.659706\n2.112903 5.972876 3.660261\n0.000232 0.000838 7.319011\nMg Ni Mo S\n2 1 3 8\ndirect\n0.875864 0.875854 0.875876 Mg\n0.124138 0.124138 0.124129 Mg\n0.499997 0.500035 0.499964 Ni\n0.500001 0.500001 0.999990 Mo\n0.999998 0.499993 0.500014 Mo\n0.499994 0.999993 0.500012 Mo\n0.739326 0.739270 0.739280 S\n0.264208 0.264121 0.712718 S\n0.264169 0.712707 0.264170 S\n0.712724 0.264108 0.264200 S\n0.735823 0.287290 0.735825 S\n0.287274 0.735883 0.735807 S\n0.260682 0.260724 0.260729 S\n0.735805 0.735879 0.287286 S\n",
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"formula_full": "Mg2 Ni1 Mo3 S8",
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},
{
"id": "mp-1193572",
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"structure_string": "Mg2 Mo4 N4 O20\n1.0\n-0.257002 0.000000 5.906762\n5.845605 0.000000 -2.684943\n0.000000 15.561932 0.000000\nMg Mo N O\n2 4 4 20\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.876086 0.254481 0.114757 Mo\n0.623914 0.745519 0.614757 Mo\n0.123914 0.745519 0.885243 Mo\n0.376086 0.254481 0.385243 Mo\n0.725433 0.918999 0.366831 N\n0.774567 0.081001 0.866831 N\n0.274567 0.081001 0.633169 N\n0.225433 0.918999 0.133169 N\n0.742575 0.938294 0.175141 O\n0.757425 0.061706 0.675141 O\n0.257425 0.061706 0.824859 O\n0.242575 0.938294 0.324859 O\n0.642877 0.298174 0.055421 O\n0.857123 0.701826 0.555421 O\n0.357123 0.701826 0.944579 O\n0.142877 0.298174 0.444579 O\n0.146647 0.308584 0.049960 O\n0.353353 0.691416 0.549960 O\n0.853353 0.691416 0.950040 O\n0.646647 0.308584 0.450040 O\n0.971941 0.442408 0.200164 O\n0.528059 0.557592 0.700164 O\n0.028059 0.557592 0.799836 O\n0.471941 0.442408 0.299836 O\n0.115588 0.753272 0.374284 O\n0.384412 0.246728 0.874284 O\n0.884412 0.246728 0.625716 O\n0.615588 0.753272 0.125716 O\n",
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"elements": [
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],
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"density_atomic": 0.05696995094478601,
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"formula_full": "Mg2 Mo4 N4 O20",
"formula_reduced": "MgMo2(NO5)2",
"formula_anonymous": "AB2C2D10",
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},
{
"id": "mp-1325878",
"created_at": "2022-09-04T14:43:13.387848Z",
"structure_string": "Mg8 Mo16 O32\n1.0\n3.211873 5.403881 0.000000\n-3.211873 5.403881 0.000000\n0.000000 3.405270 20.706677\nMg Mo O\n8 16 32\ndirect\n0.854308 0.854308 0.967029 Mg\n0.382516 0.382516 0.875661 Mg\n0.594700 0.594700 0.721020 Mg\n0.121426 0.121426 0.626762 Mg\n0.873246 0.873246 0.376967 Mg\n0.994145 0.994145 0.502424 Mg\n0.632096 0.632096 0.123939 Mg\n0.750687 0.750687 0.251869 Mg\n0.379885 0.882429 0.876173 Mo\n0.248427 0.248427 0.748892 Mo\n0.882429 0.379885 0.876173 Mo\n0.357579 0.357579 0.447994 Mo\n0.119442 0.612818 0.623333 Mo\n0.896711 0.896711 0.779800 Mo\n0.110297 0.110297 0.190126 Mo\n0.612818 0.119442 0.623333 Mo\n0.868892 0.363164 0.377884 Mo\n0.640216 0.640216 0.532998 Mo\n0.363164 0.868892 0.377884 Mo\n0.128418 0.632395 0.123562 Mo\n0.632395 0.128418 0.123562 Mo\n0.391417 0.391417 0.311611 Mo\n0.506469 0.506469 0.994396 Mo\n0.152698 0.152698 0.046192 Mo\n0.682743 0.212718 0.934607 O\n0.566225 0.566225 0.819135 O\n0.212718 0.682743 0.934607 O\n0.687388 0.687388 0.935034 O\n0.075653 0.075653 0.818540 O\n0.420319 0.953447 0.686352 O\n0.540119 0.090813 0.813499 O\n0.301102 0.301102 0.569505 O\n0.953447 0.420319 0.686352 O\n0.197382 0.197382 0.932832 O\n0.427401 0.427401 0.683634 O\n0.090813 0.540119 0.813499 O\n0.152026 0.723283 0.441074 O\n0.809167 0.809167 0.564137 O\n0.291411 0.816331 0.565238 O\n0.054716 0.054716 0.324232 O\n0.723283 0.152026 0.441074 O\n0.933903 0.933903 0.676810 O\n0.163241 0.163241 0.440750 O\n0.816331 0.291411 0.565238 O\n0.577189 0.577189 0.311151 O\n0.925610 0.472640 0.184378 O\n0.026190 0.575416 0.316853 O\n0.811712 0.811712 0.066607 O\n0.472640 0.925610 0.184378 O\n0.684986 0.684986 0.436720 O\n0.925895 0.925895 0.186776 O\n0.575416 0.026190 0.316853 O\n0.331121 0.331121 0.060337 O\n0.792995 0.331099 0.059638 O\n0.451321 0.451321 0.170941 O\n0.331099 0.792995 0.059638 O\n",
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"nelements": 3,
"elements": [
"Mg",
"Mo",
"O"
],
"chemical_system": "Mg-Mo-O",
"density": 5.17816278842254,
"density_atomic": 0.07790825568966708,
"volume": 718.7941701976423,
"volume_molar": 7.729785125709998,
"formula_full": "Mg8 Mo16 O32",
"formula_reduced": "Mg(MoO2)2",
"formula_anonymous": "AB2C4",
"energy": -455.14260786,
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"updated_at": "2021-11-28T01:36:15.805000Z",
"spacegroup": 8
}
]
}