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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=296",
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"results": [
{
"id": "jvasp-108082",
"created_at": "2022-09-04T14:38:17.669123Z",
"updated_at": "2022-09-04T14:38:17.669156Z",
"structure_string": "Sm2 Al1 Ag3\n1.0\n4.682788 0.018003 3.447847\n2.346152 4.052703 3.447847\n0.030998 0.017952 7.160316\nSm Al Ag\n2 1 3\ndirect\n0.461013 0.461012 0.294672 Sm\n0.542046 0.542044 0.707057 Sm\n0.829640 0.829638 0.115718 Al\n0.150074 0.150073 0.888983 Ag\n0.177272 0.177272 0.281530 Ag\n0.839957 0.839954 0.712046 Ag\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Ag-Al-Sm",
"density": 8.010670448572219,
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"volume": 135.00983399641146,
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"formula_full": "Sm2 Al1 Ag3",
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"formula_anonymous": "AB2C3",
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{
"id": "jvasp-42543",
"created_at": "2022-09-04T14:38:17.734649Z",
"updated_at": "2022-09-04T14:38:17.734672Z",
"structure_string": "Li2 Fe3 O3 F5\n1.0\n5.853781 0.000557 0.000506\n-2.926549 -5.085777 0.048397\n-2.926555 1.661896 -4.780917\nLi Fe O F\n2 3 3 5\ndirect\n0.741360 0.626644 0.377119 Li\n0.262404 0.626646 0.377117 Li\n0.225844 0.585070 0.866616 Fe\n0.507799 0.253107 0.762510 Fe\n0.764507 0.149663 0.379351 Fe\n0.754600 0.365209 0.610349 O\n0.755817 0.360863 0.150770 O\n0.220966 0.365220 0.610350 O\n0.230262 0.845319 0.615201 F\n0.723948 0.882045 0.136290 F\n0.278295 0.411629 0.144964 F\n0.739813 0.896556 0.583075 F\n0.294376 0.882025 0.136284 F\n",
"nsites": 13,
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"elements": [
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"O",
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"chemical_system": "F-Fe-Li-O",
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"density_atomic": 0.09164991068317992,
"volume": 141.84410986431905,
"volume_molar": 6.570809196767952,
"formula_full": "Li2 Fe3 O3 F5",
"formula_reduced": "Li2Fe3O3F5",
"formula_anonymous": "A2B3C3D5",
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{
"id": "jvasp-44135",
"created_at": "2022-09-04T14:38:17.827000Z",
"updated_at": "2022-09-04T14:38:17.827009Z",
"structure_string": "Li4 Mn3 Fe2 Cu3 O16\n1.0\n-5.648288 -0.003003 0.001179\n2.821350 5.091525 0.094542\n-0.001772 -0.379694 -9.227918\nLi Mn Fe Cu O\n4 3 2 3 16\ndirect\n0.661686 0.323339 0.101479 Li\n0.991856 0.983686 0.001883 Li\n0.008787 0.017566 0.512594 Li\n0.344864 0.689718 0.600046 Li\n0.825636 0.651250 0.785461 Mn\n0.663144 0.832006 0.286393 Mn\n0.168880 0.832003 0.286392 Mn\n0.667868 0.335718 0.516561 Fe\n0.323617 0.647206 0.010098 Fe\n0.170992 0.341958 0.288379 Cu\n0.833007 0.171076 0.791366 Cu\n0.338093 0.171077 0.791365 Cu\n0.159713 0.319389 0.923638 O\n0.638285 0.784538 0.909080 O\n0.346576 0.693126 0.393000 O\n0.039903 0.530731 0.156809 O\n0.490865 0.530739 0.156808 O\n0.840364 0.680701 0.395263 O\n0.542900 0.511208 0.641799 O\n0.532549 0.065085 0.642509 O\n0.337558 0.161299 0.404057 O\n0.992882 0.985749 0.190962 O\n0.992800 0.985580 0.703949 O\n0.673053 0.346082 0.888299 O\n0.476074 0.952135 0.159033 O\n0.823745 0.161300 0.404054 O\n0.968326 0.511200 0.641805 O\n0.146273 0.784535 0.909082 O\n",
"nsites": 28,
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"elements": [
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"Mn",
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],
"chemical_system": "Cu-Fe-Li-Mn-O",
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"density_atomic": 0.10562133307722243,
"volume": 265.09796065088943,
"volume_molar": 5.701632979387848,
"formula_full": "Li4 Mn3 Fe2 Cu3 O16",
"formula_reduced": "Li4Mn3Fe2Cu3O16",
"formula_anonymous": "A2B3C3D4E16",
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{
"id": "jvasp-53341",
"created_at": "2022-09-04T14:38:18.386926Z",
"updated_at": "2022-09-04T14:38:18.386947Z",
"structure_string": "Bi2 O3\n1.0\n3.411862 -0.067445 1.981211\n1.108776 3.136091 1.920455\n-0.174841 -0.268219 8.220766\nBi O\n2 3\ndirect\n0.008844 0.973428 0.022150 Bi\n0.940816 0.018186 0.511404 Bi\n0.151948 0.254959 0.169067 O\n0.618904 0.704355 0.486193 O\n0.689491 0.799066 0.856188 O\n",
"nsites": 5,
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"elements": [
"Bi",
"O"
],
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"density": 8.516386830580274,
"density_atomic": 0.055033683519460225,
"volume": 90.85344974649882,
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"formula_full": "Bi2 O3",
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"formula_anonymous": "A2B3",
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"spacegroup": 8
},
{
"id": "jvasp-108102",
"created_at": "2022-09-04T14:38:18.545099Z",
"updated_at": "2022-09-04T14:38:18.545118Z",
"structure_string": "Mg1 Zn3 O4\n1.0\n5.497900 0.001310 2.826043\n4.520247 3.129580 2.826043\n-0.000246 -0.000077 5.652666\nMg Zn O\n1 3 4\ndirect\n0.748522 0.748521 0.582773 Mg\n0.249944 0.249944 0.084738 Zn\n0.500841 0.500841 0.168679 Zn\n0.000976 0.000975 0.663570 Zn\n0.937455 0.937454 0.395294 O\n0.441445 0.441444 0.891757 O\n0.191578 0.191577 0.477947 O\n0.691281 0.691280 0.973245 O\n",
"nsites": 8,
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"elements": [
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"Zn",
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],
"chemical_system": "Mg-O-Zn",
"density": 4.859360916809028,
"density_atomic": 0.08227967973744607,
"volume": 97.22935268498794,
"volume_molar": 7.319110598408517,
"formula_full": "Mg1 Zn3 O4",
"formula_reduced": "MgZn3O4",
"formula_anonymous": "AB3C4",
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"spacegroup": 8
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{
"id": "jvasp-109657",
"created_at": "2022-09-04T14:38:18.921693Z",
"updated_at": "2022-09-04T14:38:18.921713Z",
"structure_string": "Zn4 Co1 Se5\n1.0\n6.139794 0.006858 3.281069\n4.819455 3.803941 3.281069\n0.006503 0.002261 9.851163\nZn Co Se\n4 1 5\ndirect\n0.598538 0.598539 0.603747 Zn\n0.202409 0.202410 0.197978 Zn\n0.798454 0.798455 0.801720 Zn\n0.401368 0.401369 0.395494 Zn\n-0.000976 -0.000976 0.000956 Co\n0.800845 0.800846 0.548548 Se\n0.405773 0.405774 0.140787 Se\n0.998251 0.998253 0.758149 Se\n0.601243 0.601244 0.350766 Se\n0.194086 0.194086 0.951856 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Co",
"Se"
],
"chemical_system": "Co-Se-Zn",
"density": 5.1723866687819795,
"density_atomic": 0.04354232865075628,
"volume": 229.66158011914945,
"volume_molar": 13.830543626415356,
"formula_full": "Zn4 Co1 Se5",
"formula_reduced": "Zn4CoSe5",
"formula_anonymous": "AB4C5",
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"spacegroup": 8
},
{
"id": "jvasp-109698",
"created_at": "2022-09-04T14:38:19.009948Z",
"updated_at": "2022-09-04T14:38:19.009970Z",
"structure_string": "Nd3 N6\n1.0\n6.038005 0.054983 2.756723\n4.097379 4.435314 2.756723\n0.037419 0.016578 6.130259\nNd N\n3 6\ndirect\n0.364550 0.364549 0.933797 Nd\n0.176073 0.176073 0.543749 Nd\n0.584538 0.584536 0.179918 Nd\n0.157598 0.157597 0.183838 N\n0.611711 0.611709 0.756438 N\n0.820630 0.820627 0.844310 N\n0.379524 0.379523 0.288744 N\n0.602257 0.602255 0.561633 N\n0.928511 0.928508 0.751717 N\n",
"nsites": 9,
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"elements": [
"Nd",
"N"
],
"chemical_system": "N-Nd",
"density": 5.288833234551427,
"density_atomic": 0.05547013017700722,
"volume": 162.24948402465742,
"volume_molar": 10.856547011487313,
"formula_full": "Nd3 N6",
"formula_reduced": "NdN2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.3032326666666654,
"spacegroup": 8
},
{
"id": "jvasp-109372",
"created_at": "2022-09-04T14:38:19.073969Z",
"updated_at": "2022-09-04T14:38:19.073996Z",
"structure_string": "Rb2 Cd3 Sn1 As4\n1.0\n8.795087 -0.033259 3.895709\n7.654001 4.332542 3.895709\n0.022948 0.005998 7.792913\nRb Cd Sn As\n2 3 1 4\ndirect\n0.492961 0.492961 0.515248 Rb\n0.997924 0.997922 -0.005216 Rb\n0.198937 0.198937 0.479775 Cd\n0.320827 0.320826 0.026723 Cd\n0.817947 0.817946 0.498257 Cd\n0.686684 0.686683 0.971078 Sn\n0.367717 0.367716 0.302134 As\n0.845478 0.845477 0.817567 As\n0.636166 0.636166 0.693682 As\n0.136275 0.136275 0.200750 As\n",
"nsites": 10,
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"Cd",
"Sn",
"As"
],
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"density": 5.1541461966253,
"density_atomic": 0.033498992412213505,
"volume": 298.51644123941077,
"volume_molar": 17.97708028318001,
"formula_full": "Rb2 Cd3 Sn1 As4",
"formula_reduced": "Rb2Cd3SnAs4",
"formula_anonymous": "AB2C3D4",
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"spacegroup": 8
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{
"id": "jvasp-108679",
"created_at": "2022-09-04T14:38:19.873138Z",
"updated_at": "2022-09-04T14:38:19.873160Z",
"structure_string": "Yb5 Mg1\n1.0\n6.826016 -0.018221 1.821543\n5.789752 3.615744 1.821543\n0.046320 0.013209 8.548661\nYb Mg\n5 1\ndirect\n0.002732 0.002732 0.021909 Yb\n0.279839 0.279839 0.945484 Yb\n0.661066 0.661065 0.671753 Yb\n0.953220 0.953218 0.585758 Yb\n0.320263 0.320262 0.338210 Yb\n0.616213 0.616212 0.270215 Mg\n",
"nsites": 6,
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"elements": [
"Yb",
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],
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"density": 6.981715181013782,
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"volume": 211.56087925969445,
"volume_molar": 21.23415657018741,
"formula_full": "Yb5 Mg1",
"formula_reduced": "Yb5Mg",
"formula_anonymous": "AB5",
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{
"id": "jvasp-24312",
"created_at": "2022-09-04T14:38:19.903572Z",
"updated_at": "2022-09-04T14:38:19.903594Z",
"structure_string": "Rb1 U2 Sb1 S8\n1.0\n6.541530 -0.036213 -1.077850\n-2.365494 6.098964 -1.077850\n0.055198 0.080136 7.480362\nRb U Sb S\n1 2 1 8\ndirect\n0.547800 0.547799 0.160232 Rb\n0.415454 0.914993 0.663887 U\n0.914993 0.415453 0.663887 U\n0.002907 0.002907 0.003051 Sb\n0.258260 0.466724 0.479208 S\n0.720475 0.012325 0.464975 S\n0.740525 0.228309 0.928615 S\n0.696954 0.696953 0.787050 S\n0.012325 0.720474 0.464975 S\n0.198582 0.198582 0.791598 S\n0.466724 0.258260 0.479208 S\n0.228308 0.740524 0.928615 S\n",
"nsites": 12,
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"elements": [
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],
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"density": 5.220492199849644,
"density_atomic": 0.04014260592505215,
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"formula_full": "Rb1 U2 Sb1 S8",
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"formula_anonymous": "ABC2D8",
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"spacegroup": 8
},
{
"id": "jvasp-109155",
"created_at": "2022-09-04T14:38:20.149278Z",
"updated_at": "2022-09-04T14:38:20.149298Z",
"structure_string": "Ni3 Sb2 Te2\n1.0\n5.619420 0.014200 3.306186\n4.208398 3.723905 3.306186\n-0.002766 -0.001052 6.782741\nNi Sb Te\n3 2 2\ndirect\n0.254510 0.254511 0.736878 Ni\n0.746380 0.746379 0.262480 Ni\n0.996219 0.996216 0.002566 Ni\n0.876013 0.876012 0.463971 Sb\n0.369697 0.369698 0.964988 Sb\n0.126413 0.126413 0.532575 Te\n0.628009 0.628008 0.036549 Te\n",
"nsites": 7,
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"density": 7.915016663141946,
"density_atomic": 0.049445363436111764,
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"formula_full": "Ni3 Sb2 Te2",
"formula_reduced": "Ni3(SbTe)2",
"formula_anonymous": "A2B2C3",
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{
"id": "jvasp-123569",
"created_at": "2022-09-04T14:38:26.046834Z",
"updated_at": "2022-09-04T14:38:26.046865Z",
"structure_string": "Er1 P3\n1.0\n3.476850 -0.000000 -1.113331\n-0.040078 3.978681 -0.125161\n-0.146962 -0.194561 5.526684\nEr P\n1 3\ndirect\n0.339699 -0.020008 0.679397 Er\n0.621784 0.074217 0.243566 P\n0.124216 0.450245 0.248431 P\n0.914302 0.495547 0.828605 P\n",
"nsites": 4,
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"elements": [
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],
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"volume": 75.7078219487574,
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"formula_full": "Er1 P3",
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}
]
}