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{
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"results": [
{
"id": "mp-1041873",
"created_at": "2022-09-04T14:45:00.532535Z",
"structure_string": "Mg8 Si16 W8 O48\n1.0\n5.402331 0.000000 0.000000\n0.000000 9.399603 0.000000\n0.000000 0.000000 18.973371\nMg Si W O\n8 16 8 48\ndirect\n0.611132 0.148687 0.371798 Mg\n0.388868 0.851313 0.628202 Mg\n0.611132 0.648687 0.128202 Mg\n0.111132 0.851313 0.128202 Mg\n0.888868 0.148687 0.871798 Mg\n0.388868 0.351313 0.871798 Mg\n0.111132 0.351313 0.371798 Mg\n0.888868 0.648687 0.628202 Mg\n0.567512 0.670332 0.771689 Si\n0.733981 0.837564 0.481205 Si\n0.766019 0.837564 0.981205 Si\n0.932488 0.170332 0.228311 Si\n0.067512 0.329668 0.728311 Si\n0.432488 0.829668 0.271689 Si\n0.233981 0.662436 0.481205 Si\n0.733981 0.337564 0.018795 Si\n0.766019 0.337564 0.518795 Si\n0.932488 0.670332 0.271689 Si\n0.432488 0.329668 0.228311 Si\n0.567512 0.170332 0.728311 Si\n0.266019 0.162436 0.518795 Si\n0.067512 0.829668 0.771689 Si\n0.266019 0.662436 0.981205 Si\n0.233981 0.162436 0.018795 Si\n0.371273 0.971662 0.876671 W\n0.628727 0.028338 0.123329 W\n0.871273 0.028338 0.623329 W\n0.128727 0.971662 0.376671 W\n0.371273 0.471662 0.623329 W\n0.628727 0.528338 0.376671 W\n0.871273 0.528338 0.876671 W\n0.128727 0.471662 0.123329 W\n0.957074 0.515459 0.308374 O\n0.279754 0.015318 0.062246 O\n0.042926 0.484541 0.691626 O\n0.730064 0.339625 0.931641 O\n0.230064 0.160375 0.931641 O\n0.962594 0.229031 0.042175 O\n0.920064 0.692126 0.187631 O\n0.079936 0.807874 0.687631 O\n0.730064 0.839625 0.568359 O\n0.920064 0.192126 0.312369 O\n0.457074 0.484541 0.191626 O\n0.769936 0.339625 0.431641 O\n0.720246 0.984682 0.937754 O\n0.420064 0.807874 0.187631 O\n0.542926 0.015459 0.691626 O\n0.279754 0.515318 0.437754 O\n0.457074 0.984541 0.308374 O\n0.154024 0.776313 0.305503 O\n0.345976 0.776313 0.805503 O\n0.537406 0.729031 0.957825 O\n0.769936 0.839625 0.068359 O\n0.579936 0.692126 0.687631 O\n0.779754 0.484682 0.062246 O\n0.154024 0.276313 0.194497 O\n0.269936 0.160375 0.431641 O\n0.579936 0.192126 0.812369 O\n0.720246 0.484682 0.562246 O\n0.230064 0.660375 0.568359 O\n0.220246 0.515318 0.937754 O\n0.654024 0.723687 0.305503 O\n0.042926 0.984541 0.808374 O\n0.845976 0.723687 0.805503 O\n0.845976 0.223687 0.694497 O\n0.779754 0.984682 0.437754 O\n0.269936 0.660375 0.068359 O\n0.220246 0.015318 0.562246 O\n0.345976 0.276313 0.694497 O\n0.037406 0.770969 0.957825 O\n0.462594 0.770969 0.457825 O\n0.654024 0.223687 0.194497 O\n0.462594 0.270969 0.042175 O\n0.537406 0.229031 0.542175 O\n0.037406 0.270969 0.542175 O\n0.420064 0.307874 0.312369 O\n0.542926 0.515459 0.808374 O\n0.962594 0.729031 0.457825 O\n0.079936 0.307874 0.812369 O\n0.957074 0.015459 0.191626 O\n",
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"elements": [
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],
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"density": 4.9680172256348865,
"density_atomic": 0.08303377580459907,
"volume": 963.4633524104894,
"volume_molar": 7.252639906646815,
"formula_full": "Mg8 Si16 W8 O48",
"formula_reduced": "MgSi2WO6",
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"energy": -647.01804239,
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"updated_at": "2021-11-28T01:36:50.925000Z",
"spacegroup": 61
},
{
"id": "mp-1199012",
"created_at": "2022-09-04T14:39:21.758569Z",
"structure_string": "Sm4 B16 Ru16\n1.0\n-3.767355 3.767355 7.547783\n3.767355 -3.767355 7.547783\n3.767355 3.767355 -7.547783\nSm B Ru\n4 16 16\ndirect\n0.250000 0.250000 0.000000 Sm\n0.750000 0.750000 0.000000 Sm\n0.500000 0.000000 0.500000 Sm\n0.000000 0.500000 0.500000 Sm\n0.222767 0.914142 0.973220 B\n0.722767 0.749547 0.308625 B\n0.164142 0.972767 0.473220 B\n0.664142 0.190922 0.191375 B\n0.527233 0.335858 0.526780 B\n0.027233 0.500453 0.191375 B\n0.585858 0.277233 0.026780 B\n0.085858 0.059078 0.308625 B\n0.440922 0.414142 0.691375 B\n0.940922 0.249547 0.026780 B\n0.999547 0.472767 0.808625 B\n0.499547 0.690922 0.526780 B\n0.309078 0.835858 0.808625 B\n0.809078 0.000453 0.473220 B\n0.750453 0.777233 0.691375 B\n0.250453 0.559078 0.973220 B\n0.541623 0.072777 0.237935 Ru\n0.041623 0.803688 0.468846 Ru\n0.322777 0.291623 0.737935 Ru\n0.822777 0.084842 0.031154 Ru\n0.208377 0.177223 0.262065 Ru\n0.708377 0.446312 0.031154 Ru\n0.427223 0.958377 0.762065 Ru\n0.927223 0.165158 0.468846 Ru\n0.334842 0.572777 0.531154 Ru\n0.834842 0.303688 0.762065 Ru\n0.053688 0.791623 0.968846 Ru\n0.553688 0.584842 0.262065 Ru\n0.415158 0.677223 0.968846 Ru\n0.915158 0.946312 0.737935 Ru\n0.696312 0.458377 0.531154 Ru\n0.196312 0.665158 0.237935 Ru\n",
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"elements": [
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"density": 9.267733382087695,
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"volume": 428.5016404178986,
"volume_molar": 7.168047762465252,
"formula_full": "Sm4 B16 Ru16",
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"energy": -291.15790645,
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"updated_at": "2021-11-28T01:34:45.160000Z",
"spacegroup": 142
},
{
"id": "mp-1077393",
"created_at": "2022-09-04T14:41:31.726244Z",
"structure_string": "Tm1 B2 Ir3\n1.0\n2.730179 -4.728810 0.000000\n2.730179 4.728810 0.000000\n0.000000 0.000000 3.137854\nTm B Ir\n1 2 3\ndirect\n0.000000 0.000000 0.500000 Tm\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n0.500000 0.000000 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n0.000000 0.500000 0.000000 Ir\n",
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],
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"density": 15.7237473954177,
"density_atomic": 0.074053490808001,
"volume": 81.0225140575242,
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"formula_full": "Tm1 B2 Ir3",
"formula_reduced": "TmB2Ir3",
"formula_anonymous": "AB2C3",
"energy": -48.52570674,
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"updated_at": "2021-11-28T01:35:19.115000Z",
"spacegroup": 191
},
{
"id": "mp-1105397",
"created_at": "2022-09-04T14:39:44.245808Z",
"structure_string": "Mn2 Fe8 Si2 B4\n1.0\n5.530496 0.000000 0.000000\n0.000000 5.530496 0.000000\n-2.765248 -2.765248 5.138744\nMn Fe Si B\n2 8 2 4\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.032550 0.532550 0.727729 Fe\n0.695179 0.195179 0.727729 Fe\n0.195179 0.032550 0.727729 Fe\n0.532550 0.695179 0.727729 Fe\n0.967450 0.467450 0.272271 Fe\n0.304821 0.804821 0.272271 Fe\n0.804821 0.967450 0.272271 Fe\n0.467450 0.304821 0.272271 Fe\n0.250000 0.250000 0.500000 Si\n0.750000 0.750000 0.500000 Si\n0.380785 0.880785 0.000000 B\n0.619215 0.119215 0.000000 B\n0.119215 0.380785 0.000000 B\n0.880785 0.619215 0.000000 B\n",
"nsites": 16,
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"elements": [
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"chemical_system": "B-Fe-Mn-Si",
"density": 6.931091162759795,
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"volume": 157.1756075700987,
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"formula_full": "Mn2 Fe8 Si2 B4",
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"energy": -129.40048598,
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"updated_at": "2021-11-28T01:34:36.272000Z",
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},
{
"id": "mp-31758",
"created_at": "2022-09-04T14:40:22.682532Z",
"structure_string": "Ba3 Nb1 Fe3 Si2 O14\n1.0\n4.352109 -7.538073 0.000000\n4.352109 7.538073 0.000000\n0.000000 0.000000 5.319313\nBa Nb Fe Si O\n3 1 3 2 14\ndirect\n0.571371 0.571371 0.000000 Ba\n0.428629 0.000000 0.000000 Ba\n0.000000 0.428629 0.000000 Ba\n0.000000 0.000000 0.000000 Nb\n0.000000 0.744486 0.500000 Fe\n0.255514 0.255514 0.500000 Fe\n0.744486 0.000000 0.500000 Fe\n0.666667 0.333333 0.476524 Si\n0.333333 0.666667 0.523476 Si\n0.175959 0.698804 0.648200 O\n0.522844 0.824041 0.648200 O\n0.477156 0.301196 0.351800 O\n0.888137 0.783373 0.776393 O\n0.333333 0.666667 0.220263 O\n0.111863 0.895236 0.223607 O\n0.301196 0.477156 0.648200 O\n0.216627 0.104764 0.776393 O\n0.104764 0.216627 0.223607 O\n0.666667 0.333333 0.779737 O\n0.824041 0.522844 0.351800 O\n0.698804 0.175959 0.351800 O\n0.783373 0.888137 0.223607 O\n0.895236 0.111863 0.776393 O\n",
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"formula_full": "Ba3 Nb1 Fe3 Si2 O14",
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{
"id": "mp-1245722",
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"structure_string": "Cr4 Co8 N12\n1.0\n5.345072 -0.624154 0.000025\n8.028599 4.039509 0.000055\n0.000049 0.000032 9.495079\nCr Co N\n4 8 12\ndirect\n0.000008 0.309628 0.851016 Cr\n0.999992 0.690372 0.148984 Cr\n0.999981 0.190378 0.350998 Cr\n0.000019 0.809622 0.649002 Cr\n0.999990 0.493691 0.625248 Co\n0.000010 0.506309 0.374752 Co\n0.999998 0.006316 0.125251 Co\n0.000002 0.993684 0.874749 Co\n0.000020 0.197136 0.630898 Co\n0.999980 0.802864 0.369102 Co\n0.999974 0.302853 0.130888 Co\n0.000026 0.697147 0.869112 Co\n0.999993 0.157377 0.995427 N\n0.000007 0.842623 0.004573 N\n0.000018 0.342644 0.495429 N\n0.999982 0.657356 0.504571 N\n0.000006 0.499798 0.828445 N\n0.999994 0.500202 0.171555 N\n0.999991 0.000206 0.328450 N\n0.000009 0.999794 0.671550 N\n0.499981 0.504282 0.749993 N\n0.500001 0.995730 0.250004 N\n0.500019 0.495718 0.250007 N\n0.499999 0.004270 0.749996 N\n",
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"formula_full": "Cr4 Co8 N12",
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{
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"structure_string": "La4 Co4 O10\n1.0\n-2.739689 2.906416 7.896207\n2.739689 -2.906416 7.896207\n2.739689 2.906416 -7.896207\nLa Co O\n4 4 10\ndirect\n0.867015 0.388989 0.476706 La\n0.132985 0.609692 0.521975 La\n0.412283 0.888989 0.521975 La\n0.587717 0.109692 0.476706 La\n0.000000 0.989790 0.989790 Co\n0.500000 0.489790 0.989790 Co\n0.811836 0.785149 0.096985 Co\n0.188164 0.285149 0.973313 Co\n0.762398 0.762118 0.489641 O\n0.237602 0.727243 0.999720 O\n0.772477 0.262118 0.999720 O\n0.227523 0.227243 0.489641 O\n0.775599 0.816370 0.874889 O\n0.224401 0.099290 0.040771 O\n0.441481 0.316370 0.040771 O\n0.558519 0.599290 0.874889 O\n0.862403 0.157360 0.519763 O\n0.137597 0.657360 0.294956 O\n",
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{
"id": "mp-1104567",
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"structure_string": "V2 P2 O10\n1.0\n4.535827 3.129463 -1.081732\n4.535827 -3.129463 -1.081732\n-0.027300 0.000000 -6.265711\nV P O\n2 2 10\ndirect\n0.188418 0.188418 0.275893 V\n0.811582 0.811582 0.724107 V\n0.248256 0.248256 0.750286 P\n0.751744 0.751744 0.249715 P\n0.363078 0.363078 0.226485 O\n0.636922 0.636922 0.773515 O\n0.137491 0.137491 0.597559 O\n0.862509 0.862509 0.402441 O\n0.150949 0.548205 0.707878 O\n0.548205 0.150949 0.707878 O\n0.849051 0.451795 0.292122 O\n0.451795 0.849051 0.292122 O\n0.845680 0.845680 0.011849 O\n0.154320 0.154320 0.988151 O\n",
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{
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},
{
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{
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"structure_string": "Li4 Mn6 B6 O18\n1.0\n-5.298083 0.000000 0.000000\n-0.353275 -7.846154 0.000000\n2.362202 2.345894 9.018629\nLi Mn B O\n4 6 6 18\ndirect\n0.467152 0.230288 0.082275 Li\n0.873402 0.086960 0.573478 Li\n0.191286 0.438581 0.248063 Li\n0.541269 0.752134 0.906309 Li\n0.769393 0.366705 0.388239 Mn\n0.433774 0.031341 0.707724 Mn\n0.885206 0.300428 0.940301 Mn\n0.107428 0.706740 0.045063 Mn\n0.555818 0.960675 0.284166 Mn\n0.222166 0.625395 0.617283 Mn\n0.005480 0.080868 0.164827 B\n0.650250 0.582181 0.157804 B\n0.321564 0.252037 0.494139 B\n0.684565 0.751524 0.513722 B\n0.349653 0.418741 0.848417 B\n0.986598 0.916683 0.825727 B\n0.767939 0.120970 0.201389 O\n0.121327 0.192339 0.107924 O\n0.851283 0.053184 0.771218 O\n0.895898 0.549957 0.130168 O\n0.560008 0.201013 0.460831 O\n0.537939 0.477345 0.220880 O\n0.207079 0.166146 0.570167 O\n0.507518 0.719398 0.106536 O\n0.192368 0.392678 0.442204 O\n0.824131 0.608066 0.548563 O\n0.470448 0.265086 0.884081 O\n0.777674 0.853050 0.442060 O\n0.453811 0.513990 0.777593 O\n0.456089 0.790937 0.562637 O\n0.128138 0.473779 0.903181 O\n0.142239 0.931606 0.196919 O\n0.877056 0.831115 0.905198 O\n0.228680 0.870259 0.795745 O\n",
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}