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"results": [
{
"id": "jvasp-112381",
"created_at": "2022-09-04T14:38:39.971714Z",
"updated_at": "2022-09-04T14:38:39.971736Z",
"structure_string": "Al4 In1 Ag1 Te8\n1.0\n7.399828 -0.061981 0.017665\n-2.159840 7.077880 0.017665\n-0.000154 -0.000206 8.760142\nAl In Ag Te\n4 1 1 8\ndirect\n0.987760 0.012240 0.500000 Al\n0.512205 0.487795 0.000001 Al\n0.989894 0.488840 0.754489 Al\n0.511160 0.010106 0.245512 Al\n0.503319 0.496681 0.500000 In\n0.996823 0.003178 0.000001 Ag\n0.392755 0.117599 0.988002 Te\n0.907436 0.631004 0.486756 Te\n0.882400 0.607246 0.011999 Te\n0.368996 0.092564 0.513245 Te\n0.879224 0.158244 0.258279 Te\n0.372260 0.645982 0.765407 Te\n0.841756 0.120776 0.741722 Te\n0.354018 0.627741 0.234594 Te\n",
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{
"id": "jvasp-117222",
"created_at": "2022-09-04T14:38:48.730813Z",
"updated_at": "2022-09-04T14:38:48.730840Z",
"structure_string": "Cr8 Co3 Ni1 S16\n1.0\n6.887475 -0.000000 0.000000\n-3.443738 5.616626 2.007859\n-0.000000 -0.042118 11.930733\nCr Co Ni S\n8 3 1 16\ndirect\n0.999636 0.499272 0.001093 Cr\n0.500173 0.500347 0.499481 Cr\n0.750770 0.001538 0.249208 Cr\n0.249904 -0.000192 0.750595 Cr\n0.750770 0.500023 0.249208 Cr\n0.249904 0.499501 0.750595 Cr\n0.249254 0.500023 0.249208 Cr\n0.749598 0.499501 0.750595 Cr\n0.687455 0.874911 0.937634 Co\n0.187528 0.875055 0.437417 Co\n0.812493 0.124985 0.562523 Co\n0.312490 0.124980 0.062531 Ni\n0.883097 0.744460 0.872443 S\n0.383233 0.744697 0.372069 S\n0.883097 0.266192 0.872443 S\n0.383233 0.266467 0.372069 S\n0.122321 0.744643 0.633037 S\n0.622211 0.744422 0.133368 S\n0.139316 0.255716 0.627885 S\n0.377780 0.255561 0.866659 S\n0.616399 0.255716 0.627885 S\n0.116698 0.255587 0.127716 S\n0.616399 0.732799 0.627885 S\n0.116698 0.733394 0.127716 S\n0.861464 0.744697 0.372069 S\n0.877832 0.255663 0.366506 S\n0.638890 0.255587 0.127716 S\n0.361364 0.744460 0.872443 S\n",
"nsites": 28,
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],
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"density_atomic": 0.06059093166546616,
"volume": 462.11535671036097,
"volume_molar": 9.93901330524073,
"formula_full": "Cr8 Co3 Ni1 S16",
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"formula_anonymous": "AB3C8D16",
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"spacegroup": 160
},
{
"id": "jvasp-110702",
"created_at": "2022-09-04T14:38:38.385399Z",
"updated_at": "2022-09-04T14:38:38.385419Z",
"structure_string": "Rb2 Ag1 Sb1 Cl6\n1.0\n6.500365 -0.000000 3.752988\n2.166788 6.128603 3.752988\n-0.000000 -0.000000 7.505975\nRb Ag Sb Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Sb\n0.750385 0.249615 0.249615 Cl\n0.249616 0.249615 0.750385 Cl\n0.249616 0.750384 0.750385 Cl\n0.249616 0.750384 0.249616 Cl\n0.750385 0.249615 0.750385 Cl\n0.750386 0.750384 0.249616 Cl\n",
"nsites": 10,
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"elements": [
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"Sb",
"Cl"
],
"chemical_system": "Ag-Cl-Rb-Sb",
"density": 3.4056720704498606,
"density_atomic": 0.033442108664788875,
"volume": 299.0242062854421,
"volume_molar": 18.007658608982094,
"formula_full": "Rb2 Ag1 Sb1 Cl6",
"formula_reduced": "Rb2AgSbCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-117247",
"created_at": "2022-09-04T14:38:47.884034Z",
"updated_at": "2022-09-04T14:38:47.884059Z",
"structure_string": "Li4 Mn2 Cu2 O8\n1.0\n3.697215 0.000203 1.641685\n-1.422322 7.299218 -1.781326\n-0.043026 -0.069121 5.080903\nLi Mn Cu O\n4 2 2 8\ndirect\n0.250222 0.875095 0.374653 Li\n0.250217 0.375128 0.874695 Li\n0.499991 0.749991 0.750006 Li\n0.499739 0.249875 0.250391 Li\n0.000093 0.500046 0.499861 Mn\n0.000078 0.000040 0.999882 Mn\n0.749950 0.624958 0.125053 Cu\n0.749908 0.124970 0.625143 Cu\n0.992152 0.246076 0.261765 O\n0.992215 0.746109 0.761673 O\n0.507690 0.003852 0.988470 O\n0.507710 0.503850 0.488430 O\n0.774315 0.887140 0.338510 O\n0.774332 0.387182 0.838518 O\n0.225677 0.112851 0.661489 O\n0.225694 0.612835 0.161446 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Cu-Li-Mn-O",
"density": 4.748339384705515,
"density_atomic": 0.11649882812403602,
"volume": 137.34043730435502,
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"formula_full": "Li4 Mn2 Cu2 O8",
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},
{
"id": "jvasp-112166",
"created_at": "2022-09-04T14:38:43.380966Z",
"updated_at": "2022-09-04T14:38:43.380992Z",
"structure_string": "Cd1 H4 C4 O4\n1.0\n3.979400 0.039162 0.281456\n-0.843888 3.869634 -0.193331\n0.671732 -0.060153 7.762560\nCd H C O\n1 4 4 4\ndirect\n0.809636 0.265858 0.261407 Cd\n0.527550 0.081858 0.665318 H\n0.066680 -0.017719 0.709304 H\n0.552565 0.549323 0.813498 H\n0.091696 0.449865 0.857521 H\n0.282759 0.653794 0.516814 C\n0.301206 0.872191 0.684095 C\n0.318080 0.659483 0.838716 C\n0.336673 0.877881 0.005992 C\n0.522543 0.724611 0.387047 O\n0.027199 0.402465 0.511672 O\n0.592308 0.129160 0.011085 O\n0.096987 0.807100 0.135803 O\n",
"nsites": 13,
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"elements": [
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"H",
"C",
"O"
],
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"density": 3.187686177182635,
"density_atomic": 0.10922338138020465,
"volume": 119.02213459906748,
"volume_molar": 5.513600370086543,
"formula_full": "Cd1 H4 C4 O4",
"formula_reduced": "CdH4(CO)4",
"formula_anonymous": "AB4C4D4",
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"spacegroup": 2
},
{
"id": "jvasp-112402",
"created_at": "2022-09-04T14:38:39.737340Z",
"updated_at": "2022-09-04T14:38:39.737363Z",
"structure_string": "Sr4 V2 Mo2 O12\n1.0\n6.412640 -0.000007 2.242669\n-3.206259 5.540200 2.275422\n0.000127 -0.000007 6.793492\nSr V Mo O\n4 2 2 12\ndirect\n0.500001 0.500000 0.500000 Sr\n0.000000 0.499999 0.000001 Sr\n0.500000 0.000000 0.000000 Sr\n0.000000 0.000001 0.499998 Sr\n0.000000 -0.000001 0.999999 V\n0.500000 0.999999 0.500000 V\n0.000000 0.500000 0.500000 Mo\n0.500000 0.500000 -0.000000 Mo\n1.000000 0.247102 0.752898 O\n0.499999 0.247103 0.252896 O\n0.252898 0.752895 0.500002 O\n0.752895 0.752894 0.000001 O\n0.747103 0.247103 0.499999 O\n0.749999 -0.000000 0.249999 O\n0.250002 0.500000 0.249998 O\n0.749998 0.499999 0.750002 O\n0.500001 0.752895 0.747103 O\n0.250001 -0.000001 0.750000 O\n0.247105 0.247104 0.999999 O\n0.999999 0.752897 0.247104 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Mo-O-Sr-V",
"density": 5.753409975999617,
"density_atomic": 0.08286620768312353,
"volume": 241.35290559547576,
"volume_molar": 7.267305851654734,
"formula_full": "Sr4 V2 Mo2 O12",
"formula_reduced": "Sr2VMoO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.5501613720000007,
"spacegroup": 123
},
{
"id": "jvasp-112602",
"created_at": "2022-09-04T14:38:42.562015Z",
"updated_at": "2022-09-04T14:38:42.562043Z",
"structure_string": "Ca3 Ga3 Ge3 O14\n1.0\n8.165438 -0.000000 0.000000\n-4.082719 7.071477 0.000000\n-0.000000 -0.000000 5.034037\nCa Ga Ge O\n3 3 3 14\ndirect\n0.579290 0.000000 -0.000000 Ca\n0.000000 0.579290 -0.000000 Ca\n0.420711 0.420711 -0.000000 Ca\n0.240860 0.000000 0.500000 Ga\n0.000000 0.240861 0.500000 Ga\n0.759140 0.759140 0.500000 Ga\n0.333333 0.666667 0.542682 Ge\n0.666667 0.333333 0.457319 Ge\n0.000000 0.000000 0.000000 Ge\n0.860363 0.075345 0.769566 O\n0.924655 0.785018 0.769566 O\n0.075345 0.860363 0.230435 O\n0.214983 0.139638 0.769566 O\n0.785018 0.924655 0.230435 O\n0.139638 0.214983 0.230435 O\n0.145714 0.463540 0.700403 O\n0.317827 0.854286 0.700403 O\n0.682173 0.536460 0.299598 O\n0.333333 0.666667 0.197111 O\n0.854286 0.317827 0.299598 O\n0.463540 0.145714 0.299598 O\n0.536460 0.682173 0.700403 O\n0.666667 0.333333 0.802889 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
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"Ga",
"Ge",
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],
"chemical_system": "Ca-Ga-Ge-O",
"density": 4.406305733069414,
"density_atomic": 0.07912647412639515,
"volume": 290.6738895411949,
"volume_molar": 7.610778600320728,
"formula_full": "Ca3 Ga3 Ge3 O14",
"formula_reduced": "Ca3Ga3Ge3O14",
"formula_anonymous": "A3B3C3D14",
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"spacegroup": 150
},
{
"id": "jvasp-116606",
"created_at": "2022-09-04T14:38:42.550418Z",
"updated_at": "2022-09-04T14:38:42.550442Z",
"structure_string": "Na2 La2 Ag2 Te8\n1.0\n4.471027 -0.000000 0.000000\n0.000000 4.471959 0.000000\n0.000000 -0.000000 20.787280\nNa La Ag Te\n2 2 2 8\ndirect\n-0.000000 0.500000 0.133550 Na\n0.500000 0.000000 0.866450 Na\n-0.000000 0.500000 0.602654 La\n0.500000 0.000000 0.397346 La\n0.500000 0.500000 0.000015 Ag\n0.000000 0.000000 -0.000015 Ag\n0.500000 0.500000 0.272137 Te\n0.000000 0.000000 0.727863 Te\n-0.000000 0.500000 0.441129 Te\n0.500000 0.000000 0.558871 Te\n0.500000 0.500000 0.727887 Te\n0.000000 0.000000 0.272113 Te\n-0.000000 0.500000 0.909986 Te\n0.500000 0.000000 0.090014 Te\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Ag-La-Na-Te",
"density": 6.233929918205903,
"density_atomic": 0.033684124511297195,
"volume": 415.62606133060075,
"volume_molar": 17.878276034694792,
"formula_full": "Na2 La2 Ag2 Te8",
"formula_reduced": "NaLaAgTe4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.6141803323809525,
"spacegroup": 129
},
{
"id": "jvasp-113210",
"created_at": "2022-09-04T14:38:47.901357Z",
"updated_at": "2022-09-04T14:38:47.901390Z",
"structure_string": "Li1 Mn2 P2 O8\n1.0\n4.887867 -0.039003 0.124586\n-0.237601 4.882242 -0.124603\n0.042998 -0.041261 7.080957\nLi Mn P O\n1 2 2 8\ndirect\n0.493742 0.493741 0.000001 Li\n0.961384 0.961381 -0.000001 Mn\n0.549840 0.549842 0.500003 Mn\n0.479833 0.016245 0.250475 P\n0.016245 0.479832 0.749526 P\n0.562695 0.710760 0.239378 O\n0.638524 0.152633 0.076566 O\n0.147219 0.570644 0.561375 O\n0.171691 0.044797 0.222553 O\n0.044795 0.171687 0.777447 O\n0.570641 0.147219 0.438625 O\n0.152636 0.638523 0.923436 O\n0.710758 0.562697 0.760626 O\n",
"nsites": 13,
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"elements": [
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],
"chemical_system": "Li-Mn-O-P",
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"density_atomic": 0.07698561707802927,
"volume": 168.86271089863143,
"volume_molar": 7.8224231857441895,
"formula_full": "Li1 Mn2 P2 O8",
"formula_reduced": "LiMn2(PO4)2",
"formula_anonymous": "AB2C2D8",
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},
{
"id": "jvasp-110732",
"created_at": "2022-09-04T14:38:39.704655Z",
"updated_at": "2022-09-04T14:38:39.704669Z",
"structure_string": "Li1 Bi1 B2 O6\n1.0\n4.389328 -0.018676 3.841555\n1.731614 4.033368 3.841555\n-0.028475 -0.018676 5.832918\nLi Bi B O\n1 1 2 6\ndirect\n0.500001 0.499999 0.500001 Li\n0.000000 0.000000 0.000000 Bi\n0.252425 0.252424 0.252425 B\n0.747577 0.747575 0.747577 B\n0.741543 0.037361 0.466646 O\n0.962638 0.533354 0.258460 O\n0.533356 0.258457 0.962639 O\n0.466645 0.741542 0.037364 O\n0.037363 0.466645 0.741542 O\n0.258458 0.962637 0.533356 O\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "B-Bi-Li-O",
"density": 5.321074332512849,
"density_atomic": 0.09607326812539081,
"volume": 104.08722629221292,
"volume_molar": 6.268279280496791,
"formula_full": "Li1 Bi1 B2 O6",
"formula_reduced": "LiBi(BO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.7980420466666667,
"spacegroup": 148
},
{
"id": "jvasp-106221",
"created_at": "2022-09-04T14:38:39.683570Z",
"updated_at": "2022-09-04T14:38:39.683582Z",
"structure_string": "Rb2 Ag1 Sb1 F6\n1.0\n5.620213 0.000000 3.244831\n1.873404 5.298787 3.244831\n0.000000 0.000000 6.489662\nRb Ag Sb F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ag\n0.499999 0.500000 0.500000 Sb\n0.738854 0.738855 0.261145 F\n0.738854 0.261145 0.261145 F\n0.261145 0.261145 0.738855 F\n0.738854 0.261145 0.738855 F\n0.261144 0.738855 0.261145 F\n0.261144 0.738855 0.738855 F\n",
"nsites": 10,
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"elements": [
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],
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"density": 4.42108562029963,
"density_atomic": 0.05174265205336617,
"volume": 193.26415641947057,
"volume_molar": 11.638639538207094,
"formula_full": "Rb2 Ag1 Sb1 F6",
"formula_reduced": "Rb2AgSbF6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-111648",
"created_at": "2022-09-04T14:38:52.107379Z",
"updated_at": "2022-09-04T14:38:52.107396Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.839418 -0.003879 0.245291\n1.375358 6.140445 0.724476\n0.282582 -0.089544 13.247723\nLi Mn Co O\n8 2 4 14\ndirect\n0.139893 0.932223 0.787701 Li\n0.003621 0.504442 0.488885 Li\n0.863281 0.056602 0.217182 Li\n0.578126 0.207385 0.636662 Li\n0.435035 0.784976 0.345538 Li\n0.267552 0.380268 0.084105 Li\n0.712270 0.636064 0.938686 Li\n0.567439 0.713937 0.151216 Li\n0.002216 0.991673 0.003569 Mn\n0.858953 0.569776 0.712269 Mn\n0.286919 0.854957 0.571335 Co\n0.141265 0.433704 0.283903 Co\n0.714995 0.141476 0.428736 Co\n0.428362 0.287246 0.855864 Co\n0.869718 0.309710 0.950865 O\n0.559478 0.982407 0.898174 O\n0.422278 0.542094 0.613135 O\n0.272130 0.122564 0.333203 O\n-0.009321 0.263363 0.754984 O\n0.843866 0.835759 0.476450 O\n0.708459 0.390595 0.192394 O\n0.133887 0.701777 0.029988 O\n0.725393 0.876778 0.672717 O\n0.584127 0.446166 0.385926 O\n0.432106 0.042834 0.092846 O\n0.155996 0.159557 0.528847 O\n0.005466 0.735197 0.254162 O\n0.296502 0.596464 0.810661 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.4980829976093295,
"density_atomic": 0.12132969902835514,
"volume": 230.77614322158922,
"volume_molar": 4.963451494751179,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
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"spacegroup": 8
}
]
}