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{
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"results": [
{
"id": "mp-1044661",
"created_at": "2022-09-04T14:42:39.869588Z",
"structure_string": "Y4 V13 Si2 Sb2 O28\n1.0\n5.738316 -0.076694 1.398196\n1.651890 8.937427 0.393389\n0.018955 -0.050348 12.418642\nY V Si Sb O\n4 13 2 2 28\ndirect\n0.084931 0.658813 0.410934 Y\n0.503116 0.340159 0.412697 Y\n0.914868 0.340796 0.588167 Y\n0.497709 0.659399 0.587554 Y\n0.903240 0.643202 0.735864 V\n0.644072 0.342357 0.120273 V\n0.356958 0.358084 0.735728 V\n0.092816 0.357153 0.264836 V\n0.353450 0.657540 0.881040 V\n0.288668 0.999531 0.423648 V\n0.235236 0.656157 0.122719 V\n0.999009 0.000245 0.000041 V\n0.425629 0.000370 0.145285 V\n0.763170 0.342928 0.880523 V\n0.639010 0.644822 0.263680 V\n0.576079 0.998184 0.852469 V\n0.712354 0.999584 0.575792 V\n0.233390 0.309527 0.000535 Si\n0.765598 0.691197 0.000357 Si\n0.862149 0.000988 0.282267 Sb\n0.147959 0.000241 0.716832 Sb\n0.744331 0.385924 0.258195 O\n0.123314 0.391425 0.419811 O\n0.952851 0.351344 0.000447 O\n0.309011 0.127691 0.000814 O\n0.878412 0.608435 0.579257 O\n0.255100 0.611618 0.741711 O\n0.023633 0.105475 0.573321 O\n0.978145 0.894374 0.425372 O\n0.688173 0.873242 0.999495 O\n0.176478 0.883283 0.128433 O\n0.293071 0.390364 0.107286 O\n0.986322 0.610953 0.260374 O\n0.404784 0.894998 0.572244 O\n0.692800 0.117818 0.128053 O\n0.602365 0.611254 0.109066 O\n0.045109 0.649805 0.000452 O\n0.304878 0.883413 0.871950 O\n0.821513 0.117456 0.871526 O\n0.596292 0.105087 0.426308 O\n0.184740 0.123927 0.274360 O\n0.806884 0.874788 0.725420 O\n0.399754 0.388651 0.893170 O\n0.447668 0.124814 0.723628 O\n0.541905 0.392307 0.580412 O\n0.703829 0.610139 0.894425 O\n0.543906 0.873147 0.273907 O\n0.001898 0.389072 0.742206 O\n0.460274 0.607366 0.418483 O\n",
"nsites": 49,
"nelements": 5,
"elements": [
"Y",
"V",
"Si",
"Sb",
"O"
],
"chemical_system": "O-Sb-Si-V-Y",
"density": 4.593531449668802,
"density_atomic": 0.07677447028797368,
"volume": 638.2329935485806,
"volume_molar": 7.843936581276988,
"formula_full": "Y4 V13 Si2 Sb2 O28",
"formula_reduced": "Y4V13Si2(SbO14)2",
"formula_anonymous": "A2B2C4D13E28",
"energy": -424.08485558,
"energy_per_atom": -8.654792971020408,
"energy_above_hull": null,
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"energy_uncorrected": -382.74885558,
"band_gap": 0.3000999999999996,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.378000Z",
"spacegroup": 2
},
{
"id": "mp-1204344",
"created_at": "2022-09-04T14:42:47.854202Z",
"structure_string": "Ga40 Cu1 Mo8\n1.0\n6.505265 -7.056197 0.000000\n6.505265 7.056197 0.000000\n-1.148522 0.000000 9.528341\nGa Cu Mo\n40 1 8\ndirect\n0.500000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.365201 0.734221 0.388522 Ga\n0.734221 0.388522 0.365201 Ga\n0.388522 0.365201 0.734221 Ga\n0.634799 0.265779 0.611478 Ga\n0.265779 0.611478 0.634799 Ga\n0.611478 0.634799 0.265779 Ga\n0.220566 0.324547 0.462274 Ga\n0.324547 0.462274 0.220566 Ga\n0.462274 0.220566 0.324547 Ga\n0.779434 0.675453 0.537726 Ga\n0.675453 0.537726 0.779434 Ga\n0.537726 0.779434 0.675453 Ga\n0.925673 0.221006 0.549851 Ga\n0.221006 0.549851 0.925673 Ga\n0.549851 0.925673 0.221006 Ga\n0.074327 0.778994 0.450149 Ga\n0.778994 0.450149 0.074327 Ga\n0.450149 0.074327 0.778994 Ga\n0.213246 0.031885 0.400220 Ga\n0.031885 0.400220 0.213246 Ga\n0.400220 0.213246 0.031885 Ga\n0.786754 0.968115 0.599780 Ga\n0.968115 0.599780 0.786754 Ga\n0.599780 0.786754 0.968115 Ga\n0.255388 0.945147 0.124358 Ga\n0.945147 0.124358 0.255388 Ga\n0.124358 0.255388 0.945147 Ga\n0.744612 0.054853 0.875642 Ga\n0.054853 0.875642 0.744612 Ga\n0.875642 0.744612 0.054853 Ga\n0.823264 0.874709 0.320360 Ga\n0.874709 0.320360 0.823264 Ga\n0.320360 0.823264 0.874709 Ga\n0.176736 0.125291 0.679640 Ga\n0.125291 0.679640 0.176736 Ga\n0.679640 0.176736 0.125291 Ga\n0.000000 0.000000 0.000000 Cu\n0.198774 0.198774 0.198774 Mo\n0.801226 0.801226 0.801226 Mo\n0.387568 0.708914 0.112311 Mo\n0.708914 0.112311 0.387568 Mo\n0.112311 0.387568 0.708914 Mo\n0.612432 0.291086 0.887689 Mo\n0.291086 0.887689 0.612432 Mo\n0.887689 0.612432 0.291086 Mo\n",
"nsites": 49,
"nelements": 3,
"elements": [
"Ga",
"Cu",
"Mo"
],
"chemical_system": "Cu-Ga-Mo",
"density": 6.871839562836073,
"density_atomic": 0.05601613022674688,
"volume": 874.7480377822176,
"volume_molar": 10.750726149098597,
"formula_full": "Ga40 Cu1 Mo8",
"formula_reduced": "Ga40CuMo8",
"formula_anonymous": "AB8C40",
"energy": -218.72757017,
"energy_per_atom": -4.4638279626530615,
"energy_above_hull": null,
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"energy_uncorrected": -218.72757017,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0169213,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:52.798000Z",
"spacegroup": 148
},
{
"id": "mp-758449",
"created_at": "2022-09-04T14:47:21.602907Z",
"structure_string": "La9 Mn10 O30\n1.0\n7.860495 0.000000 0.000000\n-3.812628 -8.742796 0.000000\n-3.890219 0.051663 -8.812584\nLa Mn O\n9 10 30\ndirect\n0.552445 0.700594 0.899566 La\n0.656841 0.108206 0.708397 La\n0.148254 0.098377 0.701807 La\n0.049341 0.689597 0.905132 La\n0.745385 0.497457 0.499566 La\n0.243418 0.494215 0.490847 La\n0.450772 0.300076 0.101590 La\n0.849621 0.907789 0.293461 La\n0.353541 0.902822 0.298139 La\n0.602742 0.399692 0.803341 Mn\n0.098767 0.398370 0.801476 Mn\n0.800362 0.200880 0.396490 Mn\n0.199905 0.800320 0.599403 Mn\n0.700140 0.801075 0.600015 Mn\n0.297633 0.200657 0.397551 Mn\n0.900185 0.597707 0.199448 Mn\n0.396158 0.596361 0.199750 Mn\n0.503137 0.001700 0.001093 Mn\n0.000810 0.003289 0.001098 Mn\n0.725851 0.993383 0.960316 O\n0.105364 0.206824 0.911774 O\n0.498407 0.185976 0.874567 O\n0.287064 0.525259 0.985238 O\n0.854218 0.395298 0.812981 O\n0.335860 0.411967 0.759748 O\n0.306471 0.873641 0.810236 O\n0.918591 0.274586 0.613263 O\n0.302009 0.012702 0.529270 O\n0.696185 0.613238 0.723442 O\n0.883345 0.921242 0.788675 O\n0.480326 0.320381 0.590075 O\n0.104369 0.589556 0.674538 O\n0.461032 0.788835 0.634808 O\n0.061959 0.186150 0.436932 O\n0.936936 0.813654 0.560153 O\n0.541220 0.212768 0.369505 O\n0.130914 0.065119 0.219334 O\n0.516151 0.679055 0.412267 O\n0.888657 0.417779 0.335971 O\n0.087722 0.726473 0.389813 O\n0.707081 0.990174 0.480415 O\n0.333262 0.395804 0.292231 O\n0.661770 0.107480 0.195870 O\n0.663344 0.593398 0.233749 O\n0.151760 0.628146 0.173550 O\n0.495345 0.809881 0.119669 O\n0.700363 0.487637 0.004916 O\n0.905797 0.788109 0.077542 O\n0.259169 0.986305 0.030985 O\n",
"nsites": 49,
"nelements": 3,
"elements": [
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O",
"density": 6.250106374973366,
"density_atomic": 0.08090820565725022,
"volume": 605.6246038575828,
"volume_molar": 7.443176759488984,
"formula_full": "La9 Mn10 O30",
"formula_reduced": "La9Mn10O30",
"formula_anonymous": "A9B10C30",
"energy": -426.2200780600001,
"energy_per_atom": -8.698368940000002,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -388.93007806,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.702000Z",
"spacegroup": 1
},
{
"id": "mp-766385",
"created_at": "2022-09-04T14:47:20.925491Z",
"structure_string": "Li5 V12 O32\n1.0\n3.640113 6.776004 0.000000\n-3.640113 6.776004 0.000000\n0.000000 3.736172 11.574122\nLi V O\n5 12 32\ndirect\n0.124555 0.124555 0.683996 Li\n0.625377 0.625377 0.684370 Li\n0.376678 0.872431 0.316157 Li\n0.872431 0.376678 0.316157 Li\n0.087208 0.087208 0.051647 Li\n0.837347 0.837347 0.806633 V\n0.339776 0.339776 0.803646 V\n0.546586 0.046166 0.463243 V\n0.046166 0.546586 0.463243 V\n0.276721 0.276721 0.079396 V\n0.772321 0.772321 0.079614 V\n0.727145 0.228274 0.919487 V\n0.228274 0.727145 0.919487 V\n0.953549 0.953549 0.537494 V\n0.453377 0.453377 0.536693 V\n0.658988 0.159384 0.196793 V\n0.159384 0.658988 0.196793 V\n0.119742 0.618761 0.826219 O\n0.618761 0.119742 0.826219 O\n0.233698 0.233698 0.954674 O\n0.734075 0.734075 0.952598 O\n0.840684 0.840684 0.460367 O\n0.340952 0.340952 0.460223 O\n0.764307 0.764307 0.720958 O\n0.263582 0.263582 0.722161 O\n0.524219 0.025775 0.327232 O\n0.025775 0.524219 0.327232 O\n0.931881 0.431984 0.562379 O\n0.431984 0.931881 0.562379 O\n0.565989 0.065196 0.071699 O\n0.065196 0.565989 0.071699 O\n0.334174 0.836200 0.810071 O\n0.836200 0.334174 0.810071 O\n0.162752 0.162752 0.182494 O\n0.664965 0.664965 0.189300 O\n0.435197 0.435197 0.930545 O\n0.936100 0.936100 0.927912 O\n0.067886 0.067886 0.437882 O\n0.568014 0.568014 0.437957 O\n0.974225 0.974225 0.673298 O\n0.473784 0.473784 0.673528 O\n0.736723 0.235049 0.278530 O\n0.235049 0.736723 0.278530 O\n0.658768 0.159262 0.539804 O\n0.159262 0.658768 0.539804 O\n0.257433 0.777988 0.046142 O\n0.777988 0.257433 0.046142 O\n0.881451 0.881451 0.174729 O\n0.381777 0.381777 0.172546 O\n",
"nsites": 49,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 3.3677900564399006,
"density_atomic": 0.08582019740465216,
"volume": 570.9611662737075,
"volume_molar": 7.017160228151083,
"formula_full": "Li5 V12 O32",
"formula_reduced": "Li5V12O32",
"formula_anonymous": "A5B12C32",
"energy": -392.63253268,
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"updated_at": "2021-11-28T01:38:03.255000Z",
"spacegroup": 8
},
{
"id": "mp-723024",
"created_at": "2022-09-04T14:48:12.377993Z",
"structure_string": "Sr1 La9 Mg1 Ga9 O29\n1.0\n5.557385 0.000000 0.000000\n-2.777807 4.843774 0.000000\n-0.069573 -3.085289 22.839976\nSr La Mg Ga O\n1 9 1 9 29\ndirect\n0.763951 0.213856 0.845916 Sr\n0.246396 0.393163 0.954516 La\n0.749973 0.796636 0.651438 La\n0.292318 0.031247 0.743993 La\n0.749631 0.394822 0.448430 La\n0.248783 0.602819 0.553047 La\n0.747458 0.993655 0.249202 La\n0.248421 0.202219 0.352565 La\n0.735922 0.587391 0.051024 La\n0.247850 0.801399 0.152174 La\n0.469927 0.583599 0.797175 Mg\n0.029482 0.811537 0.905147 Ga\n0.000679 0.398967 0.701420 Ga\n0.999953 0.999867 0.500478 Ga\n0.501614 0.202381 0.598146 Ga\n0.999363 0.598958 0.300313 Ga\n0.498635 0.798784 0.400623 Ga\n0.998909 0.198730 0.100914 Ga\n0.497904 0.398441 0.200840 Ga\n0.504631 0.005297 0.999016 Ga\n0.731019 0.384675 0.933783 O\n0.697927 0.830801 0.953754 O\n0.756968 0.972101 0.737137 O\n0.728980 0.452559 0.758262 O\n0.189090 0.815919 0.965969 O\n0.780199 0.362933 0.644391 O\n0.262522 0.765654 0.840930 O\n0.754428 0.566723 0.532657 O\n0.238215 0.226284 0.868910 O\n0.708096 0.029056 0.558769 O\n0.228645 0.423670 0.750245 O\n0.797722 0.974764 0.440529 O\n0.293980 0.371039 0.637826 O\n0.750717 0.167081 0.333065 O\n0.258192 0.837025 0.663587 O\n0.704475 0.627915 0.358472 O\n0.204118 0.022304 0.558279 O\n0.797981 0.574103 0.240201 O\n0.297247 0.975838 0.439968 O\n0.747446 0.766502 0.133878 O\n0.252104 0.434995 0.466530 O\n0.703555 0.229079 0.157735 O\n0.204646 0.626247 0.358866 O\n0.797792 0.168192 0.039752 O\n0.296873 0.574780 0.240642 O\n0.251718 0.033451 0.266373 O\n0.202536 0.225012 0.159812 O\n0.295089 0.169874 0.043034 O\n0.259321 0.631498 0.066790 O\n",
"nsites": 49,
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"elements": [
"Sr",
"La",
"Mg",
"Ga",
"O"
],
"chemical_system": "Ga-La-Mg-O-Sr",
"density": 6.626687012320859,
"density_atomic": 0.07969775364466879,
"volume": 614.8228495682042,
"volume_molar": 7.55622396441639,
"formula_full": "Sr1 La9 Mg1 Ga9 O29",
"formula_reduced": "SrLa9MgGa9O29",
"formula_anonymous": "ABC9D9E29",
"energy": -331.66534740000003,
"energy_per_atom": -6.768680559183674,
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"band_gap": 1.0121000000000002,
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"is_magnetic": false,
"total_magnetization": 9.23e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.247000Z",
"spacegroup": 1
},
{
"id": "mp-1195805",
"created_at": "2022-09-04T14:46:56.874782Z",
"structure_string": "Ga41 Mo8\n1.0\n6.496287 -7.074050 0.000000\n6.496287 7.074050 0.000000\n-1.206912 0.000000 9.528237\nGa Mo\n41 8\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.265869 0.634177 0.611141 Ga\n0.611141 0.265869 0.634177 Ga\n0.634177 0.611141 0.265869 Ga\n0.734131 0.365823 0.388859 Ga\n0.388859 0.734131 0.365823 Ga\n0.365823 0.388859 0.734131 Ga\n0.675226 0.778550 0.538743 Ga\n0.538743 0.675226 0.778550 Ga\n0.778550 0.538743 0.675226 Ga\n0.324774 0.221450 0.461257 Ga\n0.461257 0.324774 0.221450 Ga\n0.221450 0.461257 0.324774 Ga\n0.778064 0.074541 0.449247 Ga\n0.449247 0.778064 0.074541 Ga\n0.074541 0.449247 0.778064 Ga\n0.221936 0.925459 0.550753 Ga\n0.550753 0.221936 0.925459 Ga\n0.925459 0.550753 0.221936 Ga\n0.968668 0.786547 0.598910 Ga\n0.598910 0.968668 0.786547 Ga\n0.786547 0.598910 0.968668 Ga\n0.031332 0.213453 0.401090 Ga\n0.401090 0.031332 0.213453 Ga\n0.213453 0.401090 0.031332 Ga\n0.057068 0.739056 0.873813 Ga\n0.873813 0.057068 0.739056 Ga\n0.739056 0.873813 0.057068 Ga\n0.942932 0.260944 0.126187 Ga\n0.126187 0.942932 0.260944 Ga\n0.260944 0.126187 0.942932 Ga\n0.124417 0.176145 0.679311 Ga\n0.679311 0.124417 0.176145 Ga\n0.176145 0.679311 0.124417 Ga\n0.875583 0.823855 0.320689 Ga\n0.320689 0.875583 0.823855 Ga\n0.823855 0.320689 0.875583 Ga\n0.801685 0.801685 0.801685 Mo\n0.198315 0.198315 0.198315 Mo\n0.292500 0.612455 0.887449 Mo\n0.887449 0.292500 0.612455 Mo\n0.612455 0.887449 0.292500 Mo\n0.707500 0.387545 0.112551 Mo\n0.112551 0.707500 0.387545 Mo\n0.387545 0.112551 0.707500 Mo\n",
"nsites": 49,
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"elements": [
"Ga",
"Mo"
],
"chemical_system": "Ga-Mo",
"density": 6.875757393531337,
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"volume": 875.7413879995723,
"volume_molar": 10.762934505900407,
"formula_full": "Ga41 Mo8",
"formula_reduced": "Ga41Mo8",
"formula_anonymous": "A8B41",
"energy": -217.45050782,
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"updated_at": "2021-11-28T01:37:51.777000Z",
"spacegroup": 148
},
{
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}