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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=331",
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"results": [
{
"id": "jvasp-112961",
"created_at": "2022-09-04T14:38:43.961717Z",
"updated_at": "2022-09-04T14:38:43.961751Z",
"structure_string": "Li4 In4 Ge2 S12\n1.0\n6.774878 0.024678 2.131197\n3.026327 6.061430 2.131197\n0.020382 0.012656 12.268151\nLi In Ge S\n4 4 2 12\ndirect\n0.585516 0.999690 0.163125 Li\n0.999689 0.585516 0.663125 Li\n0.603890 0.396983 0.501805 Li\n0.396983 0.603891 0.001805 Li\n0.879642 0.076456 0.813052 In\n0.076456 0.879642 0.313052 In\n0.231666 0.082203 0.507060 In\n0.082203 0.231667 0.007060 In\n0.461772 0.990998 0.750663 Ge\n0.990997 0.461773 0.250663 Ge\n0.786095 0.762936 0.330386 S\n0.762935 0.786095 0.830386 S\n0.319747 0.276895 0.302523 S\n0.276895 0.319747 0.802523 S\n0.787840 0.281916 0.306736 S\n0.733999 0.232926 0.995489 S\n0.877640 0.335230 0.620646 S\n0.335230 0.877640 0.120646 S\n0.232925 0.733999 0.495489 S\n0.568595 0.039773 0.558954 S\n0.281916 0.787841 0.806736 S\n0.039772 0.568595 0.058954 S\n",
"nsites": 22,
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"elements": [
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"density_atomic": 0.04377956437456971,
"volume": 502.51756302945694,
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"formula_full": "Li4 In4 Ge2 S12",
"formula_reduced": "Li2In2GeS6",
"formula_anonymous": "AB2C2D6",
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{
"id": "jvasp-112123",
"created_at": "2022-09-04T14:38:44.083203Z",
"updated_at": "2022-09-04T14:38:44.083224Z",
"structure_string": "Sn2 H24 C12 F4\n1.0\n4.267401 0.001519 0.061819\n2.124223 4.519598 0.034977\n-0.251568 -0.012992 18.056916\nSn H C F\n2 24 12 4\ndirect\n0.089558 0.526413 0.468307 Sn\n0.550909 0.597532 0.968304 Sn\n0.396788 0.690068 0.108915 H\n0.852536 0.539229 0.096721 H\n0.869066 0.025728 0.087576 H\n0.420414 0.176733 0.103430 H\n0.538443 0.946202 0.603214 H\n0.332159 0.585685 0.596759 H\n0.027950 0.433499 0.608905 H\n0.125587 0.888293 0.710446 H\n0.822584 0.741373 0.725731 H\n0.667311 0.397141 0.713231 H\n0.342420 0.271221 0.721385 H\n0.835701 0.098321 0.587569 H\n0.500805 0.381862 0.225839 H\n0.949952 0.236259 0.210340 H\n0.542596 0.973562 0.347486 H\n0.882041 0.081031 0.338944 H\n0.003203 0.430086 0.329435 H\n0.901626 0.044070 0.838979 H\n0.322942 0.568806 0.336207 H\n0.455654 0.147681 0.847190 H\n0.367706 0.692810 0.829427 H\n0.825218 0.558296 0.836239 H\n0.550778 0.851453 0.221686 H\n0.000862 0.726691 0.213238 H\n0.855102 0.926900 0.699390 C\n0.655108 0.208449 0.115458 C\n0.065660 0.619896 0.584771 C\n0.804360 0.915188 0.615386 C\n0.620669 0.504134 0.084781 C\n0.612956 0.216922 0.736363 C\n0.646722 0.212645 0.821765 C\n0.797602 0.910767 0.321863 C\n0.766889 0.906443 0.236479 C\n0.603596 0.512429 0.851202 C\n0.056468 0.611975 0.351214 C\n0.718382 0.196816 0.199429 C\n0.013656 0.677397 0.967552 F\n0.631575 0.446587 0.467486 F\n0.307976 0.077058 0.470063 F\n0.322210 0.046907 0.969960 F\n",
"nsites": 42,
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"elements": [
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"density_atomic": 0.12059441167901361,
"volume": 348.2748447066642,
"volume_molar": 4.993714614263507,
"formula_full": "Sn2 H24 C12 F4",
"formula_reduced": "SnH12(C3F)2",
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},
{
"id": "jvasp-116664",
"created_at": "2022-09-04T14:38:44.139112Z",
"updated_at": "2022-09-04T14:38:44.139136Z",
"structure_string": "Nd2 Sm6 Sb6\n1.0\n7.684125 0.001280 2.716506\n-3.849796 6.650177 2.716506\n0.000085 0.000148 8.139279\nNd Sm Sb\n2 6 6\ndirect\n0.500780 0.642226 0.999577 Nd\n0.642226 0.500780 0.499577 Nd\n0.143738 0.500173 0.498969 Sm\n0.999260 0.998663 0.858160 Sm\n0.358595 0.857271 0.643329 Sm\n0.500174 0.143738 0.998969 Sm\n0.998663 0.999260 0.358160 Sm\n0.857270 0.358595 0.143329 Sm\n0.625143 0.878863 0.248893 Sb\n0.878864 0.625143 0.748892 Sb\n0.372176 0.245394 0.376823 Sb\n0.126027 0.751698 0.124254 Sb\n0.751698 0.126027 0.624254 Sb\n0.245394 0.372176 0.876823 Sb\n",
"nsites": 14,
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"elements": [
"Nd",
"Sm",
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],
"chemical_system": "Nd-Sb-Sm",
"density": 7.66961537766329,
"density_atomic": 0.033657281971843915,
"volume": 415.9575336984054,
"volume_molar": 17.892534415101718,
"formula_full": "Nd2 Sm6 Sb6",
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"formula_anonymous": "AB3C3",
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{
"id": "jvasp-113117",
"created_at": "2022-09-04T14:38:44.628210Z",
"updated_at": "2022-09-04T14:38:44.628232Z",
"structure_string": "Bi8 O10\n1.0\n7.944347 0.071019 0.733977\n-0.683026 7.915249 0.733977\n0.153233 0.168531 5.459885\nBi O\n8 10\ndirect\n0.727992 0.060201 0.758826 Bi\n0.742524 0.548773 0.775259 Bi\n0.215660 -0.032954 0.744460 Bi\n0.270120 0.461450 0.741746 Bi\n0.461450 0.270121 0.241745 Bi\n-0.032954 0.215660 0.244460 Bi\n0.548773 0.742524 0.275258 Bi\n0.060201 0.727992 0.258825 Bi\n0.200640 0.350474 0.407830 O\n0.350474 0.200640 0.907830 O\n0.283529 0.726528 0.517232 O\n0.803412 0.672711 0.097922 O\n0.525223 0.483986 0.509133 O\n0.049416 0.969311 0.414602 O\n0.969311 0.049416 0.914603 O\n0.726528 0.283530 0.017231 O\n0.483986 0.525223 0.009133 O\n0.672711 0.803412 0.597923 O\n",
"nsites": 18,
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"elements": [
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"chemical_system": "Bi-O",
"density": 8.903604559254115,
"density_atomic": 0.05268686971873045,
"volume": 341.6410976035061,
"volume_molar": 11.430059884273405,
"formula_full": "Bi8 O10",
"formula_reduced": "Bi4O5",
"formula_anonymous": "A4B5",
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"spacegroup": 9
},
{
"id": "jvasp-113070",
"created_at": "2022-09-04T14:38:46.519732Z",
"updated_at": "2022-09-04T14:38:46.519756Z",
"structure_string": "Nd4 Si4 Pb2 S16\n1.0\n8.121968 -0.060235 3.734761\n3.091138 7.510983 3.734761\n-0.041470 -0.027556 10.165764\nNd Si Pb S\n4 4 2 16\ndirect\n0.060640 0.254122 0.750497 Nd\n0.441588 0.560706 0.754803 Nd\n0.254123 0.060639 0.250497 Nd\n0.560707 0.441587 0.254803 Nd\n0.646231 0.176557 0.020238 Si\n0.176558 0.646230 0.520238 Si\n0.325961 0.851345 0.980433 Si\n0.851347 0.325959 0.480433 Si\n0.913103 0.753797 0.241043 Pb\n0.753799 0.913101 0.741043 Pb\n0.099098 0.569414 0.761360 S\n0.569415 0.099097 0.261360 S\n0.796007 0.532704 0.569561 S\n0.072541 0.103305 0.548663 S\n0.615220 0.272677 0.566492 S\n0.532705 0.796005 0.069561 S\n0.272678 0.615219 0.066492 S\n0.423625 0.236281 0.952756 S\n0.236282 0.423624 0.452756 S\n0.983689 0.877448 0.420220 S\n0.408450 0.709326 0.444205 S\n0.397241 0.918920 0.739726 S\n0.709328 0.408449 0.944205 S\n0.877451 0.983687 0.920220 S\n0.103306 0.072541 0.048664 S\n0.918922 0.397239 0.239726 S\n",
"nsites": 26,
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"elements": [
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"Pb",
"S"
],
"chemical_system": "Nd-Pb-S-Si",
"density": 4.304193520679364,
"density_atomic": 0.04168436310301439,
"volume": 623.7350906800785,
"volume_molar": 14.447001973179987,
"formula_full": "Nd4 Si4 Pb2 S16",
"formula_reduced": "Nd2Si2PbS8",
"formula_anonymous": "AB2C2D8",
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"spacegroup": 9
},
{
"id": "jvasp-116904",
"created_at": "2022-09-04T14:38:47.721282Z",
"updated_at": "2022-09-04T14:38:47.721315Z",
"structure_string": "Li2 Fe2 Si4 O12\n1.0\n4.974131 -0.060680 1.197386\n-0.297030 4.965625 1.197386\n-0.055723 -0.058437 10.391375\nLi Fe Si O\n2 2 4 12\ndirect\n0.859893 0.636888 0.334881 Li\n0.636888 0.859893 0.834881 Li\n0.771319 0.036654 0.506725 Fe\n0.036653 0.771320 0.006724 Fe\n-0.020410 0.357369 0.830824 Si\n0.563261 0.456499 0.662956 Si\n0.456498 0.563261 0.162956 Si\n0.357369 -0.020411 0.330824 Si\n0.133645 0.985454 0.467813 O\n0.350977 0.246193 0.209304 O\n0.246193 0.350977 0.709304 O\n0.698478 0.395158 0.515122 O\n0.714187 0.272460 0.776761 O\n0.603562 0.771969 0.665438 O\n0.771968 0.603562 0.165437 O\n0.395158 0.698479 0.015122 O\n0.656984 0.951938 0.360144 O\n0.951937 0.656984 0.860144 O\n0.985454 0.133645 0.967813 O\n0.272461 0.714188 0.276761 O\n",
"nsites": 20,
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"elements": [
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"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.7757828836039513,
"density_atomic": 0.07776641472076477,
"volume": 257.1804302900402,
"volume_molar": 7.743883759619948,
"formula_full": "Li2 Fe2 Si4 O12",
"formula_reduced": "LiFe(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.73492337,
"spacegroup": 9
},
{
"id": "jvasp-119334",
"created_at": "2022-09-04T14:38:50.830319Z",
"updated_at": "2022-09-04T14:38:50.830338Z",
"structure_string": "Li4 Mn4 O2 F12\n1.0\n5.058270 -0.069523 -0.943272\n1.219624 4.909512 0.943318\n-0.021264 0.027361 10.880660\nLi Mn O F\n4 4 2 12\ndirect\n0.432597 0.910907 0.709393 Li\n0.089095 0.567406 0.209393 Li\n0.109479 0.484754 0.801882 Li\n0.515247 0.890518 0.301884 Li\n0.085655 0.587844 0.499582 Mn\n0.678542 0.420159 0.940283 Mn\n0.412154 0.914347 0.999583 Mn\n0.579838 0.321457 0.440284 Mn\n0.345453 0.648014 0.918559 O\n0.351986 0.654548 0.418559 O\n0.858824 0.554698 0.341402 F\n0.356518 0.251620 0.293848 F\n0.018835 0.191847 0.946389 F\n0.356915 0.180780 0.562844 F\n0.445301 0.141175 0.841402 F\n0.219165 0.666360 0.657734 F\n0.333639 0.780836 0.157734 F\n0.748377 0.643480 0.793847 F\n0.839419 0.404413 0.578086 F\n0.819221 0.643089 0.062844 F\n0.595587 0.160586 0.078086 F\n0.808152 -0.018836 0.446389 F\n",
"nsites": 22,
"nelements": 4,
"elements": [
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],
"chemical_system": "F-Li-Mn-O",
"density": 3.111149685494266,
"density_atomic": 0.08121981984687805,
"volume": 270.8698448417654,
"volume_molar": 7.414619696711234,
"formula_full": "Li4 Mn4 O2 F12",
"formula_reduced": "Li2Mn2OF6",
"formula_anonymous": "AB2C2D6",
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},
{
"id": "jvasp-111697",
"created_at": "2022-09-04T14:38:52.174981Z",
"updated_at": "2022-09-04T14:38:52.174991Z",
"structure_string": "B2 As2 H8 N2 O8 F2\n1.0\n4.652745 -0.006223 0.002147\n-2.508561 3.918570 0.002147\n-0.003292 -0.006006 12.624072\nB As H N O F\n2 2 8 2 8 2\ndirect\n0.570096 0.249280 0.689754 B\n0.249280 0.570095 0.189754 B\n0.900632 0.934138 0.772984 As\n0.934139 0.900631 0.272985 As\n0.636447 0.327746 0.075433 H\n0.254010 0.426552 0.459256 H\n0.426553 0.254009 0.959255 H\n0.327746 0.636446 0.575432 H\n0.801852 0.628808 0.978372 H\n0.263628 0.798017 0.463344 H\n0.798019 0.263627 0.963344 H\n0.628809 0.801851 0.478372 H\n0.666928 0.368835 0.994891 N\n0.368836 0.666927 0.494891 N\n0.766833 0.506436 0.771927 O\n0.506437 0.766832 0.271927 O\n0.553428 0.933820 0.721284 O\n0.933822 0.553428 0.221284 O\n0.215414 0.161431 0.678007 O\n0.161432 0.215413 0.178007 O\n0.004389 0.063268 0.899015 O\n0.063269 0.004388 0.399015 O\n0.721852 0.366768 0.588465 F\n0.366768 0.721851 0.088465 F\n",
"nsites": 24,
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"elements": [
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"density_atomic": 0.10436303600340313,
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"formula_full": "B2 As2 H8 N2 O8 F2",
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},
{
"id": "jvasp-120516",
"created_at": "2022-09-04T14:38:52.485399Z",
"updated_at": "2022-09-04T14:38:52.485423Z",
"structure_string": "Na8 Ca4 Si2 P8\n1.0\n9.094383 -0.012606 0.164673\n-4.506472 7.899347 0.164673\n0.000508 0.000873 6.957960\nNa Ca Si P\n8 4 2 8\ndirect\n0.474266 0.942949 0.389212 Na\n0.942948 0.474265 0.889212 Na\n0.863638 0.719728 0.179357 Na\n0.283481 0.133450 0.227669 Na\n0.850949 0.140505 0.204483 Na\n0.133450 0.283481 0.727669 Na\n0.719728 0.863638 0.679357 Na\n0.140506 0.850950 0.704483 Na\n0.529641 0.479642 0.884918 Ca\n0.528142 0.052940 0.890431 Ca\n0.052941 0.528142 0.390431 Ca\n0.479642 0.529641 0.384918 Ca\n0.662849 0.329929 0.499945 Si\n0.329929 0.662849 -0.000055 Si\n0.390542 0.201528 0.624167 P\n0.659186 0.335169 0.169505 P\n0.335169 0.659186 0.669505 P\n0.201529 0.390542 0.124167 P\n0.610073 0.802864 0.089346 P\n0.201544 0.807099 0.104956 P\n0.802864 0.610073 0.589346 P\n0.807098 0.201543 0.604956 P\n",
"nsites": 22,
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"elements": [
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"density": 2.1550221592574723,
"density_atomic": 0.04404759077513632,
"volume": 499.4597800435979,
"volume_molar": 13.671895906278117,
"formula_full": "Na8 Ca4 Si2 P8",
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{
"id": "jvasp-119518",
"created_at": "2022-09-04T14:38:53.051840Z",
"updated_at": "2022-09-04T14:38:53.051868Z",
"structure_string": "Ca4 Al2 Ag2 O10\n1.0\n5.045724 0.036456 -1.732622\n-0.687724 5.546235 -1.881843\n0.079745 -0.226097 8.541183\nCa Al Ag O\n4 2 2 10\ndirect\n0.127735 0.663832 0.235766 Ca\n0.403884 0.931224 0.764967 Ca\n0.903815 0.338518 0.764959 Ca\n0.627843 0.076702 0.235804 Ca\n0.282239 0.333321 0.500059 Al\n0.782211 0.671463 0.499977 Al\n0.505748 0.503369 0.000260 Ag\n0.005782 0.001676 0.000264 Ag\n0.208060 0.322426 0.031791 O\n0.311251 0.801034 0.970143 O\n0.794796 0.926395 0.686941 O\n0.111606 0.077613 0.312184 O\n0.614301 0.403494 0.499844 O\n0.611633 0.739039 0.311959 O\n0.114303 0.601081 0.499862 O\n0.708158 0.214215 0.031810 O\n0.295053 0.265576 0.687184 O\n0.811240 0.673903 0.970105 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 4.123747067906773,
"density_atomic": 0.07576338743568024,
"volume": 237.58177411591058,
"volume_molar": 7.948616031869657,
"formula_full": "Ca4 Al2 Ag2 O10",
"formula_reduced": "Ca2AlAgO5",
"formula_anonymous": "ABC2D5",
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"spacegroup": 9
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{
"id": "jvasp-122056",
"created_at": "2022-09-04T14:38:55.118721Z",
"updated_at": "2022-09-04T14:38:55.118737Z",
"structure_string": "Na4 In4 Ge2 S12\n1.0\n6.995384 0.050544 2.000479\n2.642070 6.477454 2.000479\n0.051591 0.034945 12.405294\nNa In Ge S\n4 4 2 12\ndirect\n0.910424 0.527162 0.337915 Na\n0.527162 0.910424 0.837914 Na\n0.077588 0.922230 0.503227 Na\n0.922230 0.077588 0.003227 Na\n0.618103 0.454799 0.691286 In\n0.454799 0.618103 0.191286 In\n0.283371 0.417759 0.997613 In\n0.417759 0.283371 0.497613 In\n0.064812 0.514896 0.750160 Ge\n0.514896 0.064812 0.250160 Ge\n0.705988 0.790644 0.162173 S\n0.790645 0.705987 0.662173 S\n0.206481 0.217742 0.196403 S\n0.217742 0.206481 0.696402 S\n0.714766 0.248262 0.203146 S\n0.743545 0.292450 0.520119 S\n0.214756 0.611815 0.378993 S\n0.611814 0.214757 0.878993 S\n0.292450 0.743545 0.020119 S\n0.956323 0.471796 0.939116 S\n0.248263 0.714766 0.703146 S\n0.471797 0.956323 0.439116 S\n",
"nsites": 22,
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"elements": [
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],
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"density": 3.209231335426813,
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"volume": 559.4878923506948,
"volume_molar": 15.315067460234596,
"formula_full": "Na4 In4 Ge2 S12",
"formula_reduced": "Na2In2GeS6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 0.9997294445454544,
"spacegroup": 9
},
{
"id": "jvasp-107735",
"created_at": "2022-09-04T14:35:42.172582Z",
"updated_at": "2022-09-04T14:35:42.172602Z",
"structure_string": "Ti1 Cr1 Ag1 S4\n1.0\n3.474964 0.000000 0.000000\n0.000000 5.918774 0.176362\n-0.000000 0.028896 6.449928\nTi Cr Ag S\n1 1 1 4\ndirect\n0.499999 0.500000 0.500000 Ti\n-0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Ag\n-0.000000 0.327840 0.717884 S\n0.499999 0.828853 0.713511 S\n0.499999 0.171147 0.286489 S\n-0.000000 0.672161 0.282116 S\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ti",
"Cr",
"Ag",
"S"
],
"chemical_system": "Ag-Cr-S-Ti",
"density": 4.206279957226763,
"density_atomic": 0.05277388727326598,
"volume": 132.64135658140228,
"volume_molar": 11.411213141865097,
"formula_full": "Ti1 Cr1 Ag1 S4",
"formula_reduced": "TiCrAgS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.46713899904762,
"spacegroup": 10
}
]
}