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{
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"results": [
{
"id": "mp-510057",
"created_at": "2022-09-04T14:47:26.636768Z",
"structure_string": "Gd12 Nb4 S12 O16\n1.0\n6.676246 0.000000 0.000000\n0.000000 7.638822 0.000000\n0.000000 0.000000 14.344449\nGd Nb S O\n12 4 12 16\ndirect\n0.775759 0.749823 0.581384 Gd\n0.224241 0.249823 0.418616 Gd\n0.724241 0.249823 0.081384 Gd\n0.275759 0.749823 0.918616 Gd\n0.216586 0.005502 0.656608 Gd\n0.783414 0.505502 0.343392 Gd\n0.283414 0.505502 0.156608 Gd\n0.716586 0.005502 0.843392 Gd\n0.225901 0.495116 0.665125 Gd\n0.774099 0.995116 0.334875 Gd\n0.274099 0.995116 0.165125 Gd\n0.725901 0.495116 0.834875 Gd\n0.815784 0.261670 0.572305 Nb\n0.184216 0.761670 0.427695 Nb\n0.684216 0.761670 0.072305 Nb\n0.315784 0.261670 0.927695 Nb\n0.502211 0.756822 0.726496 S\n0.497789 0.256822 0.273504 S\n0.997789 0.256822 0.226496 S\n0.002211 0.756822 0.773504 S\n0.545679 0.242663 0.702354 S\n0.454321 0.742663 0.297646 S\n0.954321 0.742663 0.202354 S\n0.045679 0.242663 0.797646 S\n0.475188 0.975495 0.494018 S\n0.524812 0.475495 0.505982 S\n0.024812 0.475495 0.994018 S\n0.975188 0.975495 0.005982 S\n0.856189 0.243785 0.436741 O\n0.143811 0.743785 0.563259 O\n0.643811 0.743785 0.936741 O\n0.356189 0.243785 0.063259 O\n0.875485 0.027121 0.615183 O\n0.124515 0.527121 0.384817 O\n0.624515 0.527121 0.115183 O\n0.375485 0.027121 0.884817 O\n0.881995 0.479458 0.632904 O\n0.118005 0.979458 0.367096 O\n0.618005 0.979458 0.132904 O\n0.381995 0.479458 0.867096 O\n0.134883 0.258926 0.572611 O\n0.865117 0.758926 0.427389 O\n0.365117 0.758926 0.072611 O\n0.634883 0.258926 0.927389 O\n",
"nsites": 44,
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"elements": [
"Gd",
"Nb",
"S",
"O"
],
"chemical_system": "Gd-Nb-O-S",
"density": 6.581335478190754,
"density_atomic": 0.06014646184279312,
"volume": 731.5476031658241,
"volume_molar": 10.012460542966396,
"formula_full": "Gd12 Nb4 S12 O16",
"formula_reduced": "Gd3NbS3O4",
"formula_anonymous": "AB3C3D4",
"energy": -471.15710242,
"energy_per_atom": -10.70811596409091,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -454.12910242,
"band_gap": 0.1465999999999998,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:38:13.886000Z",
"spacegroup": 33
},
{
"id": "mp-532522",
"created_at": "2022-09-04T14:45:25.497550Z",
"structure_string": "Mn14 V10 O32\n1.0\n5.056569 -0.010664 3.596622\n1.116049 7.898918 9.492064\n0.173172 0.068673 16.531721\nMn V O\n14 10 32\ndirect\n0.138048 0.030491 0.060146 Mn\n0.125064 0.526579 0.062042 Mn\n0.500000 0.125000 0.250000 Mn\n0.117525 0.286371 0.562260 Mn\n0.000000 0.125000 0.250000 Mn\n0.500000 0.625000 0.250000 Mn\n0.118566 0.785208 0.559566 Mn\n0.861952 0.219509 0.439854 Mn\n0.500000 0.125000 0.750000 Mn\n0.494859 0.379816 0.746386 Mn\n0.874936 0.723421 0.437958 Mn\n0.505141 0.870184 0.753614 Mn\n0.881434 0.464792 0.940434 Mn\n0.882475 0.963629 0.937740 Mn\n0.521116 0.251959 0.993032 V\n0.478884 0.998041 0.506968 V\n0.485274 0.377010 0.251106 V\n0.500395 0.738243 0.006292 V\n0.499605 0.511757 0.493708 V\n0.514726 0.872990 0.248894 V\n0.000000 0.625000 0.250000 V\n0.500000 0.625000 0.750000 V\n0.991654 0.378164 0.750901 V\n0.008346 0.871836 0.749099 V\n0.304892 0.059555 0.120904 O\n0.288611 0.296039 0.113121 O\n0.725439 0.062870 0.120303 O\n0.248462 0.560175 0.135861 O\n0.274561 0.187130 0.379697 O\n0.715008 0.313036 0.145947 O\n0.247395 0.450214 0.354780 O\n0.255052 0.789026 0.127392 O\n0.247456 0.042501 0.631215 O\n0.695108 0.190445 0.379096 O\n0.709692 0.559031 0.130303 O\n0.241505 0.339783 0.621198 O\n0.290308 0.690969 0.369697 O\n0.744948 0.460974 0.372608 O\n0.773514 0.035136 0.645423 O\n0.752605 0.799786 0.145220 O\n0.284992 0.936964 0.354053 O\n0.226486 0.214864 0.854577 O\n0.243030 0.549627 0.620780 O\n0.751538 0.689825 0.364139 O\n0.706774 0.338707 0.611513 O\n0.255395 0.807296 0.636148 O\n0.295934 0.435323 0.872706 O\n0.752544 0.207499 0.868785 O\n0.743125 0.553456 0.645258 O\n0.711389 0.953961 0.386879 O\n0.256875 0.696544 0.854742 O\n0.744605 0.442704 0.863852 O\n0.704066 0.814677 0.627294 O\n0.293226 0.911293 0.888487 O\n0.756970 0.700373 0.879220 O\n0.758495 0.910217 0.878802 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Mn",
"V",
"O"
],
"chemical_system": "Mn-O-V",
"density": 4.556417372868482,
"density_atomic": 0.08581855694140128,
"volume": 652.5395205402717,
"volume_molar": 7.01729436456505,
"formula_full": "Mn14 V10 O32",
"formula_reduced": "Mn7V5O16",
"formula_anonymous": "A5B7C16",
"energy": -503.85659016,
"energy_per_atom": -8.99743911,
"energy_above_hull": null,
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"energy_uncorrected": -441.52059016,
"band_gap": 0.2530999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 83.999247,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.312000Z",
"spacegroup": 2
},
{
"id": "mp-1212996",
"created_at": "2022-09-04T14:41:54.760848Z",
"structure_string": "Gd12 V4 Ge4 O36\n1.0\n6.313255 0.000000 -2.973026\n-6.335085 0.000000 -6.802196\n0.000000 12.367574 0.000000\nGd V Ge O\n12 4 4 36\ndirect\n0.673077 0.622809 0.369226 Gd\n0.326923 0.377191 0.630774 Gd\n0.826923 0.877191 0.869226 Gd\n0.173077 0.122809 0.130774 Gd\n0.239921 0.844863 0.364998 Gd\n0.760079 0.155137 0.635002 Gd\n0.260079 0.655137 0.864998 Gd\n0.739921 0.344863 0.135002 Gd\n0.503753 0.875656 0.106105 Gd\n0.496247 0.124344 0.893895 Gd\n0.996247 0.624344 0.606105 Gd\n0.003753 0.375656 0.393895 Gd\n0.196669 0.979600 0.662909 V\n0.803331 0.020400 0.337091 V\n0.303331 0.520400 0.162909 V\n0.696669 0.479600 0.837091 V\n0.949961 0.758896 0.101389 Ge\n0.050039 0.241104 0.898611 Ge\n0.550039 0.741104 0.601389 Ge\n0.449961 0.258896 0.398611 Ge\n0.899148 0.867179 0.341854 O\n0.100852 0.132821 0.658146 O\n0.600852 0.632821 0.841854 O\n0.399148 0.367179 0.158146 O\n0.659450 0.590065 0.575350 O\n0.340550 0.409935 0.424650 O\n0.840550 0.909935 0.075350 O\n0.159450 0.090065 0.924650 O\n0.168325 0.877768 0.543162 O\n0.831675 0.122232 0.456838 O\n0.331675 0.622232 0.043162 O\n0.668325 0.377768 0.956838 O\n0.785913 0.610172 0.173774 O\n0.214087 0.389828 0.826226 O\n0.714087 0.889828 0.673774 O\n0.285913 0.110172 0.326226 O\n0.075650 0.835476 0.753580 O\n0.924350 0.164524 0.246420 O\n0.424350 0.664524 0.253580 O\n0.575650 0.335476 0.746420 O\n0.998234 0.616027 0.420564 O\n0.001766 0.383973 0.579436 O\n0.501766 0.883973 0.920564 O\n0.498234 0.116027 0.079436 O\n0.177417 0.863808 0.170694 O\n0.822583 0.136192 0.829306 O\n0.322583 0.636192 0.670694 O\n0.677417 0.363808 0.329306 O\n0.561383 0.960705 0.287402 O\n0.438617 0.039295 0.712598 O\n0.938617 0.539295 0.787402 O\n0.061383 0.460705 0.212598 O\n0.495203 0.775824 0.465986 O\n0.504797 0.224176 0.534014 O\n0.004797 0.724176 0.965986 O\n0.995203 0.275824 0.034014 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Gd",
"V",
"Ge",
"O"
],
"chemical_system": "Gd-Ge-O-V",
"density": 6.4272347370601715,
"density_atomic": 0.07329377011919277,
"volume": 764.0485665961913,
"volume_molar": 8.21644288485446,
"formula_full": "Gd12 V4 Ge4 O36",
"formula_reduced": "Gd3VGeO9",
"formula_anonymous": "ABC3D9",
"energy": -582.83687868,
"energy_per_atom": -10.407801405,
"energy_above_hull": null,
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"energy_uncorrected": -551.30487868,
"band_gap": 2.8429,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.922000Z",
"spacegroup": 14
},
{
"id": "mp-1247645",
"created_at": "2022-09-04T14:44:56.112370Z",
"structure_string": "Sr4 Ca28 Ti12 Mn20 O84\n1.0\n11.231266 -0.038438 -0.122547\n-0.052294 15.562583 -0.020435\n-0.120318 -0.011085 11.183933\nSr Ca Ti Mn O\n4 28 12 20 84\ndirect\n0.981400 0.124179 0.526485 Sr\n0.509897 0.387331 0.990976 Sr\n0.245967 0.385540 0.227353 Sr\n0.227559 0.121794 0.218234 Sr\n0.976451 0.117481 0.019566 Ca\n0.994412 0.620016 0.525155 Ca\n0.989710 0.618342 0.001459 Ca\n0.542091 0.120914 0.480523 Ca\n0.545272 0.123278 0.983639 Ca\n0.534403 0.629059 0.513859 Ca\n0.544127 0.622288 0.971127 Ca\n0.493144 0.376841 0.523374 Ca\n0.536649 0.857218 0.977644 Ca\n0.488248 0.863936 0.501430 Ca\n0.963273 0.388528 0.008106 Ca\n0.953353 0.387564 0.511179 Ca\n0.955575 0.876323 0.997255 Ca\n0.962814 0.867742 0.515737 Ca\n0.233541 0.405005 0.754882 Ca\n0.238091 0.881128 0.276227 Ca\n0.227009 0.863030 0.721098 Ca\n0.749184 0.379936 0.253855 Ca\n0.725313 0.393051 0.762533 Ca\n0.744698 0.859140 0.244164 Ca\n0.719699 0.863503 0.739070 Ca\n0.230144 0.108975 0.740889 Ca\n0.244310 0.620287 0.274400 Ca\n0.264752 0.628201 0.718570 Ca\n0.762033 0.121062 0.247199 Ca\n0.766274 0.127731 0.753021 Ca\n0.766262 0.614343 0.252143 Ca\n0.770695 0.625410 0.750998 Ca\n0.983836 0.992740 0.263687 Ti\n0.980992 0.992048 0.759018 Ti\n0.001712 0.500549 0.258359 Ti\n0.238221 0.968942 0.020685 Ti\n0.230811 0.997905 0.512366 Ti\n0.249733 0.528265 0.005845 Ti\n0.262724 0.240925 0.933261 Ti\n0.260665 0.238690 0.450927 Ti\n0.264453 0.743879 0.977665 Ti\n0.982106 0.253512 0.269425 Ti\n-0.000763 0.259086 0.779044 Ti\n0.998700 0.746848 0.271763 Ti\n0.994977 0.500435 0.756699 Mn\n0.503386 0.986052 0.221441 Mn\n0.502848 0.997655 0.723553 Mn\n0.507340 0.495939 0.248947 Mn\n0.491507 0.503786 0.748077 Mn\n0.231015 0.493149 0.508269 Mn\n0.742587 0.998877 0.988683 Mn\n0.739432 0.995764 0.486579 Mn\n0.752233 0.503482 0.003333 Mn\n0.738150 0.500211 0.506063 Mn\n0.243849 0.745596 0.492834 Mn\n0.747931 0.250729 0.005839 Mn\n0.740939 0.250070 0.503590 Mn\n0.759908 0.747388 0.996990 Mn\n0.748783 0.748568 0.501489 Mn\n0.999928 0.751026 0.751984 Mn\n0.510237 0.257914 0.262008 Mn\n0.508867 0.248376 0.754849 Mn\n0.514345 0.750498 0.263093 Mn\n0.499173 0.748115 0.743720 Mn\n0.097356 0.770012 0.605085 O\n0.568336 0.249473 0.099358 O\n0.568568 0.247951 0.590710 O\n0.606744 0.762690 0.118987 O\n0.605101 0.763822 0.596820 O\n0.387347 0.191407 0.367368 O\n0.390718 0.182194 0.865776 O\n0.408369 0.694967 0.368690 O\n0.411362 0.734257 0.924917 O\n0.911987 0.247644 0.408224 O\n0.925764 0.241197 0.916353 O\n0.910585 0.729057 0.400890 O\n0.915711 0.738696 0.901409 O\n0.157968 0.249099 0.321222 O\n0.179640 0.255966 0.788648 O\n0.164076 0.750071 0.313358 O\n0.176317 0.742420 0.844647 O\n0.657458 0.226494 0.350209 O\n0.661733 0.234122 0.853155 O\n0.663057 0.724696 0.349512 O\n0.644493 0.731146 0.849391 O\n0.356672 0.760609 0.641158 O\n0.854587 0.267025 0.156835 O\n0.888216 0.263526 0.653672 O\n0.890793 0.775352 0.146648 O\n0.848324 0.774016 0.642524 O\n0.360490 0.517493 0.162327 O\n0.345528 0.495299 0.640482 O\n0.355959 0.019975 0.112827 O\n0.360275 0.030130 0.614844 O\n0.867823 0.484248 0.149353 O\n0.845111 0.477903 0.641635 O\n0.861269 0.975563 0.158213 O\n0.858771 0.979286 0.656261 O\n0.167577 0.016287 0.359558 O\n0.231216 0.987265 0.862767 O\n0.155215 0.497179 0.348572 O\n0.161193 0.530584 0.865132 O\n0.625534 0.030416 0.334834 O\n0.629643 0.039529 0.833659 O\n0.631998 0.526683 0.362468 O\n0.638599 0.515327 0.856089 O\n0.391015 0.518146 0.912024 O\n0.892670 0.014309 0.396311 O\n0.898101 0.009608 0.901309 O\n0.904884 0.514859 0.388296 O\n0.893818 0.511063 0.895270 O\n0.120217 0.480249 0.093805 O\n0.091744 0.473191 0.616189 O\n0.101520 0.987814 0.103234 O\n0.108030 0.983209 0.614609 O\n0.612781 0.503315 0.115968 O\n0.594454 0.488862 0.611681 O\n0.596760 0.984881 0.073022 O\n0.597607 0.981704 0.574790 O\n0.009161 0.373315 0.265060 O\n0.020596 0.376915 0.803964 O\n0.016472 0.878404 0.301263 O\n0.024900 0.880076 0.796438 O\n0.464713 0.381405 0.308347 O\n0.484174 0.377710 0.767037 O\n0.453780 0.868743 0.284805 O\n0.500684 0.872606 0.774034 O\n0.480073 0.625740 0.721720 O\n0.994984 0.128249 0.230281 O\n0.016756 0.118191 0.752268 O\n0.011356 0.625543 0.221014 O\n0.985551 0.624919 0.724636 O\n0.174355 0.169530 0.019031 O\n0.201322 0.154599 0.543964 O\n0.220333 0.645067 0.058547 O\n0.215181 0.618671 0.508913 O\n0.757098 0.123830 0.036044 O\n0.750469 0.124566 0.539815 O\n0.764144 0.626601 0.035092 O\n0.751103 0.625517 0.541878 O\n0.279898 0.347647 0.510295 O\n0.292368 0.342520 0.005642 O\n0.276810 0.886892 0.484151 O\n0.257288 0.851052 0.056765 O\n0.743745 0.376232 0.464649 O\n0.747675 0.375821 0.977572 O\n0.755005 0.870990 0.452117 O\n0.747646 0.874766 0.956948 O\n",
"nsites": 148,
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"elements": [
"Sr",
"Ca",
"Ti",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Sr-Ti",
"density": 3.814394806269983,
"density_atomic": 0.07572047756777603,
"volume": 1954.557139018674,
"volume_molar": 7.9531204152927994,
"formula_full": "Sr4 Ca28 Ti12 Mn20 O84",
"formula_reduced": "SrCa7Ti3Mn5O21",
"formula_anonymous": "AB3C5D7E21",
"energy": -1189.27933471,
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"updated_at": "2021-11-28T01:36:42.739000Z",
"spacegroup": 1
},
{
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"structure_string": "Gd12 Mo20 O78\n1.0\n9.968126 6.241388 0.000000\n-9.968126 6.241388 0.000000\n0.000000 2.748794 13.750243\nGd Mo O\n12 20 78\ndirect\n0.643027 0.527731 0.416335 Gd\n0.472269 0.356973 0.083665 Gd\n0.356973 0.472269 0.583665 Gd\n0.527731 0.643027 0.916335 Gd\n0.971824 0.283244 0.353571 Gd\n0.716756 0.028176 0.146429 Gd\n0.028176 0.716756 0.646429 Gd\n0.283244 0.971824 0.853571 Gd\n0.061315 0.764641 0.084566 Gd\n0.235359 0.938685 0.415434 Gd\n0.938685 0.235359 0.915434 Gd\n0.764641 0.061315 0.584566 Gd\n0.315207 0.314690 0.360868 Mo\n0.685310 0.684793 0.139132 Mo\n0.684793 0.685310 0.639132 Mo\n0.314690 0.315207 0.860868 Mo\n0.072712 0.115135 0.138431 Mo\n0.884865 0.927288 0.361569 Mo\n0.927288 0.884865 0.861569 Mo\n0.115135 0.072712 0.638431 Mo\n0.819864 0.386349 0.139027 Mo\n0.613651 0.180136 0.360973 Mo\n0.180136 0.613651 0.860973 Mo\n0.386349 0.819864 0.639027 Mo\n0.996302 0.616133 0.381862 Mo\n0.383867 0.003698 0.118138 Mo\n0.003698 0.383867 0.618138 Mo\n0.616133 0.996302 0.881862 Mo\n0.258756 0.569478 0.160353 Mo\n0.430522 0.741244 0.339647 Mo\n0.741244 0.430522 0.839647 Mo\n0.569478 0.258756 0.660353 Mo\n0.846939 0.715691 0.111479 O\n0.284309 0.153061 0.388521 O\n0.153061 0.284309 0.888522 O\n0.715691 0.846939 0.611479 O\n0.170520 0.326055 0.387984 O\n0.673945 0.829480 0.112016 O\n0.829480 0.673945 0.612016 O\n0.326055 0.170520 0.887984 O\n0.631377 0.619281 0.266064 O\n0.380719 0.368623 0.233936 O\n0.368623 0.380719 0.733936 O\n0.619281 0.631377 0.766064 O\n0.578990 0.577650 0.065029 O\n0.422350 0.421010 0.434971 O\n0.421010 0.422350 0.934971 O\n0.577650 0.578990 0.565029 O\n0.038906 0.932867 0.360246 O\n0.067133 0.961094 0.139754 O\n0.961094 0.067133 0.639754 O\n0.932867 0.038906 0.860246 O\n0.774521 0.764620 0.413564 O\n0.235380 0.225479 0.086436 O\n0.225479 0.235380 0.586436 O\n0.764620 0.774521 0.913564 O\n0.045495 0.160373 0.256155 O\n0.839627 0.954505 0.243845 O\n0.954505 0.839627 0.743845 O\n0.160373 0.045495 0.756155 O\n0.957576 0.129253 0.063907 O\n0.870747 0.042424 0.436093 O\n0.042424 0.870747 0.936093 O\n0.129253 0.957576 0.563907 O\n0.671437 0.396556 0.144572 O\n0.603444 0.328563 0.355428 O\n0.328563 0.603444 0.855428 O\n0.396556 0.671437 0.644572 O\n0.942536 0.540709 0.083286 O\n0.459291 0.057464 0.416714 O\n0.057464 0.459291 0.916714 O\n0.540709 0.942536 0.583286 O\n0.857793 0.357036 0.258998 O\n0.642964 0.142207 0.241002 O\n0.142207 0.642964 0.741002 O\n0.357036 0.857793 0.758998 O\n0.825056 0.265515 0.069705 O\n0.734485 0.174944 0.430295 O\n0.174944 0.734485 0.930295 O\n0.265515 0.825056 0.569705 O\n0.020788 0.701718 0.263538 O\n0.298282 0.979212 0.236462 O\n0.979212 0.298282 0.736462 O\n0.701718 0.020788 0.763538 O\n0.059694 0.503234 0.376676 O\n0.496766 0.940306 0.123324 O\n0.940306 0.496766 0.623324 O\n0.503234 0.059694 0.876676 O\n0.828006 0.523772 0.423105 O\n0.476228 0.171994 0.076895 O\n0.171994 0.476228 0.576895 O\n0.523772 0.828006 0.923105 O\n0.064426 0.725783 0.467835 O\n0.274217 0.935574 0.032165 O\n0.935574 0.274217 0.532165 O\n0.725783 0.064426 0.967835 O\n0.345992 0.562424 0.053023 O\n0.437576 0.654008 0.446977 O\n0.654008 0.437576 0.946977 O\n0.562424 0.345992 0.553023 O\n0.205321 0.686360 0.134468 O\n0.313640 0.794679 0.365532 O\n0.794679 0.313640 0.865532 O\n0.686360 0.205321 0.634468 O\n0.125460 0.419516 0.202885 O\n0.580484 0.874540 0.297115 O\n0.874540 0.580484 0.797115 O\n0.419516 0.125460 0.702885 O\n0.375394 0.624606 0.250000 O\n0.624606 0.375394 0.750000 O\n",
"nsites": 110,
"nelements": 3,
"elements": [
"Gd",
"Mo",
"O"
],
"chemical_system": "Gd-Mo-O",
"density": 4.904876280276217,
"density_atomic": 0.06429210060843071,
"volume": 1710.9411414312312,
"volume_molar": 9.36684398706722,
"formula_full": "Gd12 Mo20 O78",
"formula_reduced": "Gd6Mo10O39",
"formula_anonymous": "A6B10C39",
"energy": -1053.35290915,
"energy_per_atom": -9.575935537727272,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -935.72690915,
"band_gap": 2.6567,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 84.0000005,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:12.266000Z",
"spacegroup": 15
},
{
"id": "mp-778473",
"created_at": "2022-09-04T14:48:03.413233Z",
"structure_string": "Gd12 Sb4 O28\n1.0\n7.554752 0.000000 0.000000\n0.000000 7.572805 0.000000\n0.000000 0.000000 10.729036\nGd Sb O\n12 4 28\ndirect\n0.772916 0.004585 0.250000 Gd\n0.965894 0.253420 0.520115 Gd\n0.965894 0.253420 0.979885 Gd\n0.465894 0.246580 0.020115 Gd\n0.465894 0.246580 0.479885 Gd\n0.272916 0.495415 0.750000 Gd\n0.727084 0.504585 0.250000 Gd\n0.534106 0.753420 0.520115 Gd\n0.534106 0.753420 0.979885 Gd\n0.034106 0.746580 0.020115 Gd\n0.034106 0.746580 0.479885 Gd\n0.227084 0.995415 0.750000 Gd\n0.752009 0.001580 0.750000 Sb\n0.252009 0.498420 0.250000 Sb\n0.747991 0.501580 0.750000 Sb\n0.247991 0.998420 0.250000 Sb\n0.052920 0.032560 0.124143 O\n0.052920 0.032560 0.375857 O\n0.570720 0.036133 0.618188 O\n0.570720 0.036133 0.881812 O\n0.337413 0.247753 0.250000 O\n0.731994 0.251420 0.116849 O\n0.731994 0.251420 0.383151 O\n0.231994 0.248580 0.616849 O\n0.231994 0.248580 0.883151 O\n0.837413 0.252247 0.750000 O\n0.070720 0.463867 0.118188 O\n0.070720 0.463867 0.381812 O\n0.552920 0.467440 0.624143 O\n0.552920 0.467440 0.875857 O\n0.447080 0.532560 0.124143 O\n0.447080 0.532560 0.375857 O\n0.929280 0.536133 0.618188 O\n0.929280 0.536133 0.881812 O\n0.162587 0.747753 0.250000 O\n0.768006 0.751420 0.116849 O\n0.768006 0.751420 0.383151 O\n0.268006 0.748580 0.616849 O\n0.268006 0.748580 0.883151 O\n0.662587 0.752247 0.750000 O\n0.429280 0.963867 0.118188 O\n0.429280 0.963867 0.381812 O\n0.947080 0.967440 0.624143 O\n0.947080 0.967440 0.875857 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
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"Sb",
"O"
],
"chemical_system": "Gd-O-Sb",
"density": 7.6343486300858014,
"density_atomic": 0.07168280442895818,
"volume": 613.8152706289073,
"volume_molar": 8.401095364465395,
"formula_full": "Gd12 Sb4 O28",
"formula_reduced": "Gd3SbO7",
"formula_anonymous": "AB3C7",
"energy": -471.58277978,
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"formation_energy": null,
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"energy_uncorrected": -452.34677978,
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"updated_at": "2021-11-28T01:38:21.889000Z",
"spacegroup": 62
}
]
}