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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4155",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4153",
"results": [
{
"id": "jvasp-32387",
"created_at": "2022-09-04T14:38:01.381744Z",
"updated_at": "2022-09-04T14:38:01.381773Z",
"structure_string": "Co1 H12 Br2 O6\n1.0\n6.476001 -0.013973 -0.677738\n-3.022173 4.958711 -2.945467\n0.099597 -0.153751 6.717040\nCo H Br O\n1 12 2 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.727033 0.439958 0.166990 H\n0.272968 0.560042 0.833010 H\n0.689994 0.016529 0.234905 H\n0.781624 0.455091 0.765095 H\n0.310007 0.983471 0.765094 H\n0.218377 0.544910 0.234905 H\n0.802803 0.859190 0.278981 H\n0.580209 0.523821 0.721018 H\n0.187849 0.356916 0.544764 H\n0.197198 0.140810 0.721018 H\n0.419792 0.476179 0.278982 H\n0.812152 0.643084 0.455236 H\n0.713949 0.105666 0.819614 Br\n0.286052 0.894334 0.180386 Br\n0.712192 0.586646 0.298836 O\n0.287809 0.413355 0.701164 O\n0.839092 0.009173 0.253515 O\n0.755658 0.585577 0.746485 O\n0.160909 -0.009172 0.746485 O\n0.244343 0.414423 0.253515 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Co",
"H",
"Br",
"O"
],
"chemical_system": "Br-Co-H-O",
"density": 2.553860027622904,
"density_atomic": 0.09881925006257336,
"volume": 212.50920227286267,
"volume_molar": 6.094096804202337,
"formula_full": "Co1 H12 Br2 O6",
"formula_reduced": "CoH12(BrO3)2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 2.8812938147619045,
"spacegroup": 12
},
{
"id": "jvasp-29543",
"created_at": "2022-09-04T14:38:01.590556Z",
"updated_at": "2022-09-04T14:38:01.590583Z",
"structure_string": "Cd2 Sb4 Se6 Br4\n1.0\n4.028155 -0.000000 0.700091\n1.297396 9.728539 4.473659\n0.025315 -0.011317 11.792903\nCd Sb Se Br\n2 4 6 4\ndirect\n0.350683 0.846438 0.452196 Cd\n0.649318 0.153562 0.547803 Cd\n0.046400 0.688081 0.219121 Sb\n0.953601 0.311919 0.780879 Sb\n0.704923 0.683667 0.906487 Sb\n0.295078 0.316333 0.093513 Sb\n0.460656 0.864109 0.214582 Se\n0.900274 0.172034 0.027421 Se\n0.539345 0.135891 0.785417 Se\n0.678201 0.503410 0.140192 Se\n0.099727 0.827966 0.972579 Se\n0.321800 0.496590 0.859808 Se\n0.101987 0.342103 0.453922 Br\n0.898014 0.657897 0.546078 Br\n0.213496 0.923419 0.649590 Br\n0.786505 0.076581 0.350410 Br\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"Sb",
"Se",
"Br"
],
"chemical_system": "Br-Cd-Sb-Se",
"density": 5.408287678178538,
"density_atomic": 0.034619875054783415,
"volume": 462.16226877425675,
"volume_molar": 17.395038978247044,
"formula_full": "Cd2 Sb4 Se6 Br4",
"formula_reduced": "CdSb2Se3Br2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 0.7118487825000002,
"spacegroup": 12
},
{
"id": "jvasp-13817",
"created_at": "2022-09-04T14:38:01.490837Z",
"updated_at": "2022-09-04T14:38:01.490858Z",
"structure_string": "Nb2 Cl8\n1.0\n5.994122 -0.000000 3.345485\n2.788278 5.860152 2.046820\n0.009646 -0.070905 7.025308\nNb Cl\n2 8\ndirect\n0.220178 -0.000000 -0.000000 Nb\n0.779822 -0.000000 -0.000000 Nb\n0.691326 0.776120 0.841230 Cl\n0.308675 0.223879 0.158769 Cl\n0.780719 0.257224 0.181337 Cl\n0.219282 0.742775 0.818663 Cl\n0.723848 0.752824 0.310639 Cl\n0.787311 0.247174 0.689360 Cl\n0.276154 0.247174 0.689360 Cl\n0.212690 0.752824 0.310639 Cl\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Nb",
"Cl"
],
"chemical_system": "Cl-Nb",
"density": 3.1585824496715285,
"density_atomic": 0.0405196817576897,
"volume": 246.79364610513585,
"volume_molar": 14.862260755187538,
"formula_full": "Nb2 Cl8",
"formula_reduced": "NbCl4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.992921134,
"spacegroup": 12
},
{
"id": "jvasp-26175",
"created_at": "2022-09-04T14:38:01.623842Z",
"updated_at": "2022-09-04T14:38:01.623860Z",
"structure_string": "Tl2 Cr6 S10\n1.0\n3.501307 -0.000037 -0.000038\n-1.750592 9.683380 0.028923\n-1.750492 -3.261591 10.180538\nTl Cr S\n2 6 10\ndirect\n0.913998 0.654624 0.173398 Tl\n0.086004 0.345376 0.826601 Tl\n0.500000 -0.000000 -0.000000 Cr\n0.000001 0.500000 0.500000 Cr\n0.224323 0.060204 0.388447 Cr\n0.775678 0.939796 0.611552 Cr\n0.244688 0.263494 0.225878 Cr\n0.755314 0.736506 0.774121 Cr\n0.363062 0.107517 0.618618 S\n0.636939 0.892483 0.381382 S\n0.183175 0.758407 0.607932 S\n0.816827 0.241593 0.392068 S\n0.076348 0.000863 0.151824 S\n0.672297 0.264818 0.079780 S\n0.923653 -0.000863 0.848176 S\n0.429573 0.511292 0.347863 S\n0.327705 0.735182 0.920219 S\n0.570429 0.488708 0.652137 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Tl",
"Cr",
"S"
],
"chemical_system": "Cr-S-Tl",
"density": 5.005211822650687,
"density_atomic": 0.052099209263190026,
"volume": 345.4946870511843,
"volume_molar": 11.558986873635451,
"formula_full": "Tl2 Cr6 S10",
"formula_reduced": "TlCr3S5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 2.9673672,
"spacegroup": 12
},
{
"id": "jvasp-38045",
"created_at": "2022-09-04T14:38:01.722241Z",
"updated_at": "2022-09-04T14:38:01.722269Z",
"structure_string": "B2 C3 N6\n1.0\n-0.699949 -2.602386 0.000000\n-7.925132 3.526903 1.879296\n2.143668 -0.576571 -5.678942\nB C N\n2 3 6\ndirect\n0.094113 0.188224 0.011512 B\n0.905889 0.811775 -0.011513 B\n0.342583 0.685165 0.587978 C\n0.657419 0.314834 0.412021 C\n-0.000000 -0.000000 0.500000 C\n0.615733 0.231464 0.147934 N\n0.959281 0.918557 0.263552 N\n0.040721 0.081442 0.736447 N\n0.308668 0.617337 0.360790 N\n0.384269 0.768536 0.852065 N\n0.691333 0.382662 0.639208 N\n",
"nsites": 11,
"nelements": 3,
"elements": [
"B",
"C",
"N"
],
"chemical_system": "B-C-N",
"density": 1.9623615684047018,
"density_atomic": 0.09174242965408305,
"volume": 119.90090126755693,
"volume_molar": 6.564182769855367,
"formula_full": "B2 C3 N6",
"formula_reduced": "B2(CN2)3",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 6.377208606060607,
"spacegroup": 12
},
{
"id": "jvasp-30302",
"created_at": "2022-09-04T14:38:01.773908Z",
"updated_at": "2022-09-04T14:38:01.773925Z",
"structure_string": "Mn5 Sb1 O12\n1.0\n5.102459 -0.003573 0.242507\n-2.565320 4.410696 0.242507\n0.427750 0.743020 8.968070\nMn Sb O\n5 1 12\ndirect\n0.166926 0.833076 0.500000 Mn\n0.333336 0.666665 0.000000 Mn\n0.500000 0.500001 0.500000 Mn\n0.666665 0.333337 0.000000 Mn\n0.833075 0.166926 0.500000 Mn\n0.000000 0.000000 0.000000 Sb\n0.798580 0.465421 0.604135 O\n0.534580 0.201421 0.395865 O\n0.868688 0.868688 0.394582 O\n0.687304 0.687304 0.889164 O\n0.312697 0.312697 0.110836 O\n0.201421 0.534581 0.395865 O\n0.465421 0.798580 0.604135 O\n0.613311 0.963004 0.110838 O\n0.386690 0.036997 0.889162 O\n0.963004 0.613311 0.110838 O\n0.131313 0.131313 0.605419 O\n0.036997 0.386690 0.889162 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"Sb",
"O"
],
"chemical_system": "Mn-O-Sb",
"density": 4.88790619302299,
"density_atomic": 0.09004131950959654,
"volume": 199.90822100382005,
"volume_molar": 6.688196922034404,
"formula_full": "Mn5 Sb1 O12",
"formula_reduced": "Mn5SbO12",
"formula_anonymous": "AB5C12",
"energy_above_hull": 3.5206346837164757,
"spacegroup": 12
},
{
"id": "jvasp-29388",
"created_at": "2022-09-04T14:38:01.870376Z",
"updated_at": "2022-09-04T14:38:01.870395Z",
"structure_string": "Mn2 Sb2 S4 Br2\n1.0\n3.639706 -0.000000 -0.000000\n-1.819853 6.261624 -0.161851\n-0.000000 -0.095943 8.856506\nMn Sb S Br\n2 2 4 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.707434 0.414867 0.789683 Sb\n0.292567 0.585132 0.210318 Sb\n0.620922 0.241844 0.045274 S\n0.057620 0.115240 0.750324 S\n0.379080 0.758156 0.954727 S\n0.942382 0.884760 0.249676 S\n0.371924 0.743846 0.550691 Br\n0.628078 0.256154 0.449309 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Mn",
"Sb",
"S",
"Br"
],
"chemical_system": "Br-Mn-S-Sb",
"density": 5.278704617725789,
"density_atomic": 0.04955710342163087,
"volume": 201.78741914998938,
"volume_molar": 12.151922417183556,
"formula_full": "Mn2 Sb2 S4 Br2",
"formula_reduced": "MnSbS2Br",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.974259489275862,
"spacegroup": 12
},
{
"id": "jvasp-36699",
"created_at": "2022-09-04T14:38:01.883567Z",
"updated_at": "2022-09-04T14:38:01.883602Z",
"structure_string": "Ca2 Mo2 N6\n1.0\n-1.933344 -2.979699 -1.055015\n-5.440247 2.972348 1.574543\n1.929209 2.956030 -5.377334\nCa Mo N\n2 2 6\ndirect\n0.623365 0.330388 0.246730 Ca\n0.376634 0.669612 0.753269 Ca\n0.849322 0.142865 0.698645 Mo\n0.150677 0.857135 0.301354 Mo\n0.321952 0.014314 0.643905 N\n0.156486 0.583389 0.312973 N\n-0.003220 0.891415 -0.006440 N\n0.003220 0.108586 0.006441 N\n0.678047 0.985686 0.356094 N\n0.843512 0.416611 0.687026 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Mo",
"N"
],
"chemical_system": "Ca-Mo-N",
"density": 4.192489399245317,
"density_atomic": 0.07090550086129942,
"volume": 141.03278135727902,
"volume_molar": 8.493192611078381,
"formula_full": "Ca2 Mo2 N6",
"formula_reduced": "CaMoN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.318741213999999,
"spacegroup": 12
},
{
"id": "jvasp-29267",
"created_at": "2022-09-04T14:38:02.339312Z",
"updated_at": "2022-09-04T14:38:02.339338Z",
"structure_string": "Sc5 C1 Cl8\n1.0\n3.467314 0.000000 0.658189\n1.528008 8.811306 1.412445\n-0.004119 0.011528 9.483626\nSc C Cl\n5 1 8\ndirect\n0.837859 0.648347 0.675933 Sc\n0.162140 0.351653 0.324067 Sc\n0.486399 0.639596 0.387605 Sc\n0.513600 0.360404 0.612395 Sc\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 C\n0.033072 0.172980 0.760876 Cl\n0.966927 0.827020 0.239124 Cl\n0.329992 0.503823 0.836191 Cl\n0.670007 0.496177 0.163809 Cl\n0.702847 0.163098 0.431205 Cl\n0.297152 0.836903 0.568795 Cl\n0.367992 0.164718 0.099297 Cl\n0.632007 0.835282 0.900703 Cl\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sc",
"C",
"Cl"
],
"chemical_system": "C-Cl-Sc",
"density": 2.982784317906398,
"density_atomic": 0.04832274549030353,
"volume": 289.7186378371082,
"volume_molar": 12.462331556075197,
"formula_full": "Sc5 C1 Cl8",
"formula_reduced": "Sc5CCl8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 1.6125070564285715,
"spacegroup": 12
},
{
"id": "jvasp-46356",
"created_at": "2022-09-04T14:38:02.148916Z",
"updated_at": "2022-09-04T14:38:02.148946Z",
"structure_string": "Ho2 V2 O7\n1.0\n3.334441 4.697835 0.194191\n-3.334441 4.697835 -0.194191\n-1.257195 0.000000 5.008604\nHo V O\n2 2 7\ndirect\n0.311202 0.311203 0.500000 Ho\n0.688796 0.688797 0.500000 Ho\n0.243048 0.756951 0.902692 V\n0.756950 0.243049 0.097307 V\n0.068323 0.607352 0.710135 O\n0.392647 0.931676 0.710135 O\n0.418026 0.581973 0.223072 O\n0.581972 0.418027 0.776927 O\n0.000000 0.000000 0.000000 O\n0.607351 0.068323 0.289864 O\n0.931676 0.392648 0.289864 O\n",
"nsites": 11,
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"elements": [
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"V",
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],
"chemical_system": "Ho-O-V",
"density": 5.671132885102852,
"density_atomic": 0.06909117456333916,
"volume": 159.20991457332627,
"volume_molar": 8.716222872255875,
"formula_full": "Ho2 V2 O7",
"formula_reduced": "Ho2V2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.8362376393939392,
"spacegroup": 12
},
{
"id": "jvasp-11233",
"created_at": "2022-09-04T14:38:02.509845Z",
"updated_at": "2022-09-04T14:38:02.509866Z",
"structure_string": "Mg2 V3 O8\n1.0\n4.566973 -0.046204 -1.512195\n-0.843268 5.011850 -2.699884\n-0.110809 -0.073183 6.032191\nMg V O\n2 3 8\ndirect\n0.665762 0.733389 0.466774 Mg\n0.334236 0.266614 0.533227 Mg\n0.499999 0.999999 0.000001 V\n0.999998 0.710499 0.000001 V\n0.999998 0.289503 0.000001 V\n0.083084 0.385160 0.770321 O\n0.916915 0.614841 0.229681 O\n0.090660 0.895940 0.791880 O\n0.909339 0.104060 0.208121 O\n0.399847 0.346512 0.230356 O\n0.399847 0.883844 0.230357 O\n0.600153 0.116156 0.769645 O\n0.600152 0.653489 0.769645 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
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"V",
"O"
],
"chemical_system": "Mg-O-V",
"density": 4.022689087166565,
"density_atomic": 0.0955978161729379,
"volume": 135.98636998655704,
"volume_molar": 6.299454319234506,
"formula_full": "Mg2 V3 O8",
"formula_reduced": "Mg2V3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.6905968230769237,
"spacegroup": 12
},
{
"id": "jvasp-36700",
"created_at": "2022-09-04T14:38:02.535082Z",
"updated_at": "2022-09-04T14:38:02.535101Z",
"structure_string": "Ba2 W2 N6\n1.0\n-2.107614 -3.143709 -1.070222\n-5.535313 3.145358 1.661532\n2.118089 3.121444 -6.112624\nBa W N\n2 2 6\ndirect\n0.394243 0.686803 0.788487 Ba\n0.605756 0.313196 0.211512 Ba\n0.160498 0.877515 0.320996 W\n0.839501 0.122484 0.679003 W\n0.852942 0.403234 0.705885 N\n0.147057 0.596765 0.294114 N\n0.967723 0.058724 0.935446 N\n0.689991 0.974594 0.379983 N\n0.310008 0.025405 0.620017 N\n0.032276 0.941275 0.064553 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"W",
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],
"chemical_system": "Ba-N-W",
"density": 6.997218868830721,
"density_atomic": 0.05801174789962068,
"volume": 172.37887776288477,
"volume_molar": 10.380898659389262,
"formula_full": "Ba2 W2 N6",
"formula_reduced": "BaWN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.773987144,
"spacegroup": 12
}
]
}