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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4594",
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"results": [
{
"id": "jvasp-12550",
"created_at": "2022-09-04T14:38:11.287029Z",
"updated_at": "2022-09-04T14:38:11.287052Z",
"structure_string": "Na6 S2 Cl1 O8 F1\n1.0\n6.170011 -0.000000 3.562258\n2.056671 5.817142 3.562258\n0.000000 0.000000 7.124515\nNa S Cl O F\n6 2 1 8 1\ndirect\n0.222604 0.777396 0.222604 Na\n0.222604 0.777396 0.777397 Na\n0.777396 0.777396 0.222604 Na\n0.777396 0.222604 0.222604 Na\n0.777396 0.222604 0.777397 Na\n0.222604 0.222604 0.777397 Na\n0.250000 0.250000 0.250000 S\n0.750000 0.750000 0.750001 S\n0.500000 0.500000 0.500001 Cl\n0.835224 0.835224 0.835225 O\n0.835224 0.835224 0.494329 O\n0.494328 0.835224 0.835225 O\n0.835224 0.494328 0.835225 O\n0.505672 0.164776 0.164776 O\n0.164776 0.505672 0.164777 O\n0.164776 0.164776 0.505672 O\n0.164776 0.164776 0.164776 O\n0.000000 0.000000 0.000000 F\n",
"nsites": 18,
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"elements": [
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"density_atomic": 0.07039172309936803,
"volume": 255.7118821283919,
"volume_molar": 8.555183045453914,
"formula_full": "Na6 S2 Cl1 O8 F1",
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{
"id": "jvasp-44457",
"created_at": "2022-09-04T14:38:10.961258Z",
"updated_at": "2022-09-04T14:38:10.961292Z",
"structure_string": "Na6 Mn2 Si2 C2 O14\n1.0\n0.000000 5.213041 -0.046256\n6.414646 0.000000 0.000000\n0.000000 -0.164957 -9.144013\nNa Mn Si C O\n6 2 2 2 14\ndirect\n0.219832 0.750000 0.096357 Na\n0.740556 0.998107 0.260576 Na\n0.740556 0.501894 0.260576 Na\n0.259443 0.498107 0.739424 Na\n0.259443 0.001893 0.739424 Na\n0.780167 0.250000 0.903643 Na\n0.216215 0.250000 0.354720 Mn\n0.783784 0.750000 0.645280 Mn\n0.687249 0.250000 0.572316 Si\n0.312751 0.750000 0.427684 Si\n0.282729 0.250000 0.054260 C\n0.717270 0.750000 0.945740 C\n0.487400 0.750000 0.894328 O\n0.749379 0.047230 0.679458 O\n0.749379 0.452771 0.679458 O\n0.370667 0.250000 0.542056 O\n0.160806 0.750000 0.580847 O\n0.839193 0.250000 0.419153 O\n0.764969 0.750000 0.084606 O\n0.250620 0.547230 0.320542 O\n0.250620 0.952771 0.320542 O\n0.512599 0.250000 0.105672 O\n0.086457 0.250000 0.143782 O\n0.913542 0.750000 0.856218 O\n0.629332 0.750000 0.457944 O\n0.235030 0.250000 0.915394 O\n",
"nsites": 26,
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"elements": [
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"Mn",
"Si",
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"O"
],
"chemical_system": "C-Mn-Na-O-Si",
"density": 2.99720863419955,
"density_atomic": 0.08501648910973938,
"volume": 305.8230264771246,
"volume_molar": 7.083497358055582,
"formula_full": "Na6 Mn2 Si2 C2 O14",
"formula_reduced": "Na3MnSiCO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.497867487798409,
"spacegroup": 11
},
{
"id": "jvasp-46456",
"created_at": "2022-09-04T14:38:12.786772Z",
"updated_at": "2022-09-04T14:38:12.786804Z",
"structure_string": "Li6 V2 B2 P2 O14\n1.0\n0.000000 5.007745 0.024967\n6.334768 0.000000 0.000000\n0.000000 -0.858802 -8.343326\nLi V B P O\n6 2 2 2 14\ndirect\n0.227596 0.750000 0.095088 Li\n0.734365 -0.003387 0.243168 Li\n0.734365 0.503387 0.243168 Li\n0.265637 0.496613 0.756832 Li\n0.265637 0.003387 0.756832 Li\n0.772406 0.250000 0.904912 Li\n0.210352 0.250000 0.316774 V\n0.789650 0.750000 0.683226 V\n0.696240 0.750000 0.962397 B\n0.303761 0.250000 0.037603 B\n0.266214 0.750000 0.418625 P\n0.733787 0.250000 0.581375 P\n0.504817 0.750000 0.824660 O\n0.830378 0.061186 0.691919 O\n0.830378 0.438814 0.691919 O\n0.424919 0.250000 0.544389 O\n0.136687 0.750000 0.576204 O\n0.863314 0.250000 0.423796 O\n0.621194 0.750000 0.112554 O\n0.169624 0.561186 0.308081 O\n0.169624 0.938814 0.308081 O\n0.495185 0.250000 0.175340 O\n0.043110 0.250000 0.080390 O\n0.956892 0.750000 0.919610 O\n0.575083 0.750000 0.455611 O\n0.378808 0.250000 0.887446 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
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"V",
"B",
"P",
"O"
],
"chemical_system": "B-Li-O-P-V",
"density": 2.8315433549979834,
"density_atomic": 0.09828429963611121,
"volume": 264.53869128907326,
"volume_molar": 6.127266290034557,
"formula_full": "Li6 V2 B2 P2 O14",
"formula_reduced": "Li3VBPO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.720661291025641,
"spacegroup": 11
},
{
"id": "jvasp-112291",
"created_at": "2022-09-04T14:38:26.668297Z",
"updated_at": "2022-09-04T14:38:26.668327Z",
"structure_string": "Pr4 Si2 C2 N4 O8\n1.0\n6.209773 0.047341 1.930967\n1.731380 6.490113 0.546917\n0.010911 -0.030583 6.789360\nPr Si C N O\n4 2 2 4 8\ndirect\n0.543767 0.680307 0.214091 Pr\n0.456233 0.319693 0.785910 Pr\n0.935950 0.762326 0.668562 Pr\n0.064050 0.237674 0.331439 Pr\n0.041598 0.704336 0.185808 Si\n0.958401 0.295664 0.814193 Si\n0.434973 0.820962 0.695789 C\n0.565026 0.179038 0.304212 C\n0.641822 0.297500 0.374122 N\n0.358177 0.702499 0.625879 N\n0.479188 0.068553 0.237116 N\n0.520812 0.931447 0.762885 N\n0.886245 0.131609 0.697158 O\n0.113755 0.868391 0.302843 O\n0.139926 0.387394 0.626908 O\n0.860074 0.612606 0.373093 O\n0.908707 0.777416 0.016078 O\n0.091293 0.222584 0.983923 O\n0.725314 0.483046 0.886429 O\n0.274686 0.516954 0.113571 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
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"C",
"N",
"O"
],
"chemical_system": "C-N-O-Pr-Si",
"density": 5.036628975475051,
"density_atomic": 0.07327769970631505,
"volume": 272.9343317292533,
"volume_molar": 8.218244819550488,
"formula_full": "Pr4 Si2 C2 N4 O8",
"formula_reduced": "Pr2SiC(NO2)2",
"formula_anonymous": "ABC2D2E4",
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"spacegroup": 2
},
{
"id": "jvasp-33593",
"created_at": "2022-09-04T14:38:05.308941Z",
"updated_at": "2022-09-04T14:38:05.308951Z",
"structure_string": "Mo2 Pd2 H24 N8 O8\n1.0\n-3.732566 3.732770 7.773051\n3.732566 -3.732273 7.772812\n3.732566 3.732273 -7.772812\nMo Pd H N O\n2 2 24 8 8\ndirect\n0.875001 0.124999 0.750002 Mo\n0.124999 0.875002 0.249998 Mo\n0.375000 0.625001 0.750000 Pd\n0.625000 0.374999 0.250000 Pd\n0.014126 0.708348 0.528781 H\n0.679568 0.708347 0.194224 H\n0.708347 0.014119 0.028777 H\n0.485347 0.014122 0.805778 H\n0.679568 0.485345 0.971221 H\n0.708347 0.679569 0.694227 H\n0.485347 0.679569 0.471224 H\n0.985874 0.291653 0.471220 H\n0.320432 0.291653 0.805777 H\n0.291653 0.985881 0.971223 H\n0.014126 0.485346 0.305779 H\n0.985874 0.514655 0.694221 H\n0.514653 0.985878 0.194223 H\n0.309483 0.249644 0.440166 H\n0.249646 0.309480 0.940168 H\n0.869317 0.309478 0.559838 H\n0.309483 0.869317 0.059841 H\n0.750354 0.690521 0.059832 H\n0.690517 0.750357 0.559835 H\n0.130683 0.690522 0.440162 H\n0.690517 0.130683 0.940160 H\n0.514653 0.320431 0.528776 H\n0.291653 0.320432 0.305774 H\n0.320432 0.514656 0.028780 H\n0.651535 0.625605 0.025932 N\n0.099671 0.625604 0.474068 N\n0.625602 0.099669 0.974065 N\n0.625602 0.651536 0.525933 N\n0.348465 0.374396 0.974069 N\n0.900329 0.374397 0.525932 N\n0.374398 0.348464 0.474067 N\n0.374398 0.900331 0.025936 N\n0.255362 0.809496 0.445868 O\n0.190503 0.136368 0.445862 O\n0.136360 0.190503 0.945858 O\n0.744638 0.190505 0.554133 O\n0.190504 0.744642 0.054136 O\n0.809496 0.863632 0.554139 O\n0.863640 0.809498 0.054143 O\n0.809496 0.255359 0.945864 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
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"Pd",
"H",
"N",
"O"
],
"chemical_system": "H-Mo-N-O-Pd",
"density": 2.5644497117969025,
"density_atomic": 0.10157761963830658,
"volume": 433.1662836427295,
"volume_molar": 5.9286098467786426,
"formula_full": "Mo2 Pd2 H24 N8 O8",
"formula_reduced": "MoH12Pd(NO)4",
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"energy_above_hull": 3.937720845454545,
"spacegroup": 141
},
{
"id": "jvasp-117319",
"created_at": "2022-09-04T14:38:26.604712Z",
"updated_at": "2022-09-04T14:38:26.604733Z",
"structure_string": "Li4 V3 Cr3 Fe2 O16\n1.0\n5.729414 -0.000516 0.018714\n-2.848486 4.970661 -0.037331\n-0.000828 0.036475 9.284559\nLi V Cr Fe O\n4 3 3 2 16\ndirect\n0.331846 0.668164 0.108679 Li\n-0.001849 0.001847 0.004236 Li\n0.002027 0.997801 0.504556 Li\n0.665050 0.335047 0.612974 Li\n0.824097 0.651695 0.288050 V\n0.173017 0.827088 0.788648 V\n0.348248 0.175882 0.288076 V\n0.168425 0.343097 0.787997 Cr\n0.828656 0.171302 0.289118 Cr\n0.656989 0.831650 0.787993 Cr\n0.333897 0.666118 0.514571 Fe\n0.667098 0.332938 0.011414 Fe\n0.829674 0.170376 0.899317 O\n0.835424 0.661763 0.896301 O\n0.666167 0.333771 0.407521 O\n0.521346 0.045259 0.155417 O\n0.954750 0.478661 0.155398 O\n0.171199 0.828772 0.394121 O\n0.043065 0.525454 0.653437 O\n0.476755 0.523330 0.657637 O\n0.176869 0.338310 0.397984 O\n0.001639 0.998366 0.193078 O\n0.000867 0.999254 0.692678 O\n0.330113 0.669951 0.903982 O\n0.520322 0.479715 0.151285 O\n0.661646 0.823067 0.397972 O\n0.474628 0.956992 0.653417 O\n0.338310 0.164646 0.896303 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"Cr",
"Fe",
"O"
],
"chemical_system": "Cr-Fe-Li-O-V",
"density": 4.4229031596329245,
"density_atomic": 0.10589734422625131,
"volume": 264.4070085476135,
"volume_molar": 5.686772226443757,
"formula_full": "Li4 V3 Cr3 Fe2 O16",
"formula_reduced": "Li4V3Cr3(FeO8)2",
"formula_anonymous": "A2B3C3D4E16",
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"spacegroup": 8
},
{
"id": "jvasp-44777",
"created_at": "2022-09-04T14:38:12.250727Z",
"updated_at": "2022-09-04T14:38:12.250754Z",
"structure_string": "Li2 Mn2 P4 H2 O14\n1.0\n6.591472 -0.033692 -0.038344\n0.291756 6.464567 0.017577\n2.336918 0.706834 6.014399\nLi Mn P H O\n2 2 4 2 14\ndirect\n0.157279 0.103474 0.776435 Li\n0.842721 0.896526 0.223567 Li\n0.723568 0.347074 0.895263 Mn\n0.276432 0.652926 0.104738 Mn\n0.230185 0.157053 0.226359 P\n0.813865 0.394366 0.360703 P\n0.186135 0.605634 0.639298 P\n0.769815 0.842947 0.773643 P\n0.499392 0.159255 0.347085 H\n0.500608 0.840745 0.652916 H\n0.984986 0.752744 0.609899 O\n0.282125 0.734642 0.768060 O\n0.637195 0.673751 0.948100 O\n0.331285 0.593085 0.402476 O\n0.921280 0.597949 0.227474 O\n0.078720 0.402051 0.772527 O\n0.834332 0.018878 0.874679 O\n0.362805 0.326249 0.051901 O\n0.717875 0.265358 0.231942 O\n0.015014 0.247256 0.390102 O\n0.165668 0.981122 0.125322 O\n0.352292 0.079226 0.391763 O\n0.668715 0.406914 0.597525 O\n0.647708 0.920774 0.608239 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
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],
"chemical_system": "H-Li-Mn-O-P",
"density": 3.0624991258305485,
"density_atomic": 0.0934481784736528,
"volume": 256.8268359213301,
"volume_molar": 6.444363986931975,
"formula_full": "Li2 Mn2 P4 H2 O14",
"formula_reduced": "LiMnP2HO7",
"formula_anonymous": "ABCD2E7",
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"spacegroup": 2
},
{
"id": "jvasp-44574",
"created_at": "2022-09-04T14:38:10.614672Z",
"updated_at": "2022-09-04T14:38:10.614693Z",
"structure_string": "Na4 Mn2 As2 C2 O14\n1.0\n0.000000 5.311906 -0.108412\n6.650796 0.000000 0.000000\n0.000000 -0.156654 -9.118072\nNa Mn As C O\n4 2 2 2 14\ndirect\n0.785039 0.498603 0.221187 Na\n0.785039 0.001398 0.221187 Na\n0.214962 0.501398 0.778812 Na\n0.214962 0.998603 0.778812 Na\n0.228661 0.250000 0.349218 Mn\n0.771340 0.750000 0.650782 Mn\n0.304932 0.750000 0.428082 As\n0.695069 0.250000 0.571918 As\n0.302543 0.250000 0.072254 C\n0.697459 0.750000 0.927746 C\n0.497523 0.750000 0.848154 O\n0.773898 0.044577 0.675853 O\n0.773898 0.455423 0.675853 O\n0.162326 0.750000 0.595585 O\n0.367489 0.250000 0.545784 O\n0.632513 0.750000 0.454215 O\n0.089114 0.250000 0.150364 O\n0.226103 0.544578 0.324146 O\n0.226103 0.955423 0.324146 O\n0.502478 0.250000 0.151845 O\n0.910887 0.750000 0.849635 O\n0.704212 0.750000 0.065387 O\n0.837676 0.250000 0.404415 O\n0.295789 0.250000 0.934613 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
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"Mn",
"As",
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],
"chemical_system": "As-C-Mn-Na-O",
"density": 3.090278450661784,
"density_atomic": 0.07447867824391995,
"volume": 322.2398754365547,
"volume_molar": 8.085724534849163,
"formula_full": "Na4 Mn2 As2 C2 O14",
"formula_reduced": "Na2MnAsCO7",
"formula_anonymous": "ABCD2E7",
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"spacegroup": 11
},
{
"id": "jvasp-46819",
"created_at": "2022-09-04T14:38:05.761484Z",
"updated_at": "2022-09-04T14:38:05.761514Z",
"structure_string": "Na4 P2 Ru2 C2 O14\n1.0\n0.000000 5.146624 0.027932\n6.513640 0.000000 0.000000\n0.000000 -0.234163 -9.015051\nNa P Ru C O\n4 2 2 2 14\ndirect\n0.758910 0.989593 0.239895 Na\n0.758910 0.510407 0.239895 Na\n0.241090 0.489593 0.760105 Na\n0.241090 0.010407 0.760105 Na\n0.290520 0.750000 0.417612 P\n0.709480 0.250000 0.582388 P\n0.211373 0.250000 0.343610 Ru\n0.788627 0.750000 0.656390 Ru\n0.289161 0.250000 0.071503 C\n0.710839 0.750000 0.928497 C\n0.522916 0.750000 0.823475 O\n0.797989 0.061271 0.676223 O\n0.797989 0.438729 0.676223 O\n0.160378 0.750000 0.569875 O\n0.407866 0.250000 0.559248 O\n0.592134 0.750000 0.440752 O\n0.058061 0.250000 0.130892 O\n0.202011 0.561271 0.323777 O\n0.202011 0.938729 0.323777 O\n0.477084 0.250000 0.176525 O\n0.941939 0.750000 0.869108 O\n0.670862 0.750000 0.063673 O\n0.839622 0.250000 0.430125 O\n0.329138 0.250000 0.936327 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
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],
"chemical_system": "C-Na-O-P-Ru",
"density": 3.3195234070435014,
"density_atomic": 0.07942515811290413,
"volume": 302.1712587072678,
"volume_molar": 7.582157723173093,
"formula_full": "Na4 P2 Ru2 C2 O14",
"formula_reduced": "Na2PRuCO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.797047375,
"spacegroup": 11
},
{
"id": "jvasp-117447",
"created_at": "2022-09-04T14:38:27.536538Z",
"updated_at": "2022-09-04T14:38:27.536556Z",
"structure_string": "Na6 Ni2 B2 P2 O14\n1.0\n6.691042 -0.000000 0.000000\n0.000000 5.069685 0.165885\n0.000000 0.033398 8.741283\nNa Ni B P O\n6 2 2 2 14\ndirect\n0.750000 0.227251 0.920685 Na\n0.990877 0.745873 0.733299 Na\n0.509122 0.745873 0.733299 Na\n0.490877 0.254128 0.266700 Na\n0.009122 0.254128 0.266700 Na\n0.250000 0.772751 0.079314 Na\n0.250000 0.217604 0.661495 Ni\n0.750000 0.782397 0.338504 Ni\n0.750000 0.724363 0.071110 B\n0.250000 0.275639 0.928890 B\n0.750000 0.279505 0.580373 P\n0.250000 0.720496 0.419626 P\n0.750000 0.523802 0.184912 O\n0.066865 0.786450 0.316464 O\n0.433135 0.786450 0.316464 O\n0.250000 0.416979 0.463874 O\n0.750000 0.127107 0.431282 O\n0.250000 0.872894 0.568717 O\n0.750000 0.694803 0.919975 O\n0.566865 0.213551 0.683535 O\n0.933135 0.213551 0.683535 O\n0.250000 0.476200 0.815087 O\n0.250000 0.034468 0.856556 O\n0.750000 0.965533 0.143443 O\n0.750000 0.583022 0.536125 O\n0.250000 0.305198 0.080025 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
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],
"chemical_system": "B-Na-Ni-O-P",
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"density_atomic": 0.08769558577712157,
"volume": 296.48014514754516,
"volume_molar": 6.867096794706723,
"formula_full": "Na6 Ni2 B2 P2 O14",
"formula_reduced": "Na3NiBPO7",
"formula_anonymous": "ABCD3E7",
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"spacegroup": 11
},
{
"id": "jvasp-28948",
"created_at": "2022-09-04T14:38:11.528917Z",
"updated_at": "2022-09-04T14:38:11.528943Z",
"structure_string": "Te2 Mo1 W3 Se4 S2\n1.0\n3.347798 0.000000 -0.000000\n-1.673900 2.899265 -0.000001\n-0.000000 -0.000005 37.898862\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.333351 0.666705 0.707753 Te\n0.333353 0.666707 0.607182 Te\n0.333311 0.666621 0.093929 Mo\n0.333311 0.666623 0.469646 W\n0.666686 0.333372 0.281815 W\n0.666689 0.333377 0.657553 W\n0.333352 0.666704 0.325961 Se\n0.666648 0.333294 0.050121 Se\n0.666646 0.333291 0.137856 Se\n0.333351 0.666703 0.237637 Se\n0.666648 0.333293 0.429470 S\n0.666647 0.333291 0.509824 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.789981328952611,
"density_atomic": 0.03262179980768341,
"volume": 367.8521746422354,
"volume_molar": 18.460479788063704,
"formula_full": "Te2 Mo1 W3 Se4 S2",
"formula_reduced": "Te2MoW3(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.124586241666667,
"spacegroup": 156
},
{
"id": "jvasp-112348",
"created_at": "2022-09-04T14:38:26.435606Z",
"updated_at": "2022-09-04T14:38:26.435629Z",
"structure_string": "Sr2 Nd1 Sm1 Mn4 O12\n1.0\n5.431010 0.003980 0.046999\n0.050797 5.430774 0.046999\n0.006683 0.006626 7.716175\nSr Nd Sm Mn O\n2 1 1 4 12\ndirect\n0.749736 0.749737 0.999739 Sr\n0.249791 0.249792 0.499846 Sr\n0.753474 0.753474 0.504655 Nd\n0.256769 0.256768 0.005670 Sm\n0.250586 0.750748 0.751274 Mn\n0.750382 0.250044 0.249610 Mn\n0.250044 0.750381 0.249610 Mn\n0.750748 0.250586 0.751274 Mn\n0.473859 0.473859 0.724456 O\n0.974559 0.974558 0.222965 O\n0.034387 0.464147 0.240001 O\n0.534230 0.965771 0.742726 O\n0.209040 0.776159 0.499674 O\n0.965771 0.534230 0.742726 O\n0.776159 0.209040 0.499674 O\n0.276501 0.703459 0.999588 O\n0.039815 0.039816 0.790601 O\n0.464147 0.034387 0.240001 O\n0.703458 0.276501 0.999588 O\n0.536543 0.536543 0.286329 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Nd",
"Sm",
"Mn",
"O"
],
"chemical_system": "Mn-Nd-O-Sm-Sr",
"density": 6.432492531686071,
"density_atomic": 0.08788100631170638,
"volume": 227.58046180151507,
"volume_molar": 6.852607875972634,
"formula_full": "Sr2 Nd1 Sm1 Mn4 O12",
"formula_reduced": "Sr2NdSmMn4O12",
"formula_anonymous": "ABC2D4E12",
"energy_above_hull": 2.894211198025862,
"spacegroup": 8
}
]
}