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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=123",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=121",
"results": [
{
"id": "jvasp-104901",
"created_at": "2022-09-04T14:36:46.457463Z",
"updated_at": "2022-09-04T14:36:46.457490Z",
"structure_string": "Tm2 Mn4 Si2 C2\n1.0\n5.566879 -0.000249 0.000000\n-4.369823 3.448883 0.000000\n-0.000000 -0.000000 6.937385\nTm Mn Si C\n2 4 2 2\ndirect\n0.542661 0.457338 0.250000 Tm\n0.457339 0.542661 0.750001 Tm\n0.831742 0.168258 0.060979 Mn\n0.168258 0.831741 0.939022 Mn\n0.168258 0.831741 0.560979 Mn\n0.831742 0.168258 0.439022 Mn\n0.263941 0.736059 0.250000 Si\n0.736059 0.263941 0.750001 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Mn",
"Si",
"C"
],
"chemical_system": "C-Mn-Si-Tm",
"density": 7.95208543457558,
"density_atomic": 0.07508247376442498,
"volume": 133.18687436132566,
"volume_molar": 8.020701047883383,
"formula_full": "Tm2 Mn4 Si2 C2",
"formula_reduced": "TmMn2SiC",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.936043466551725,
"spacegroup": 63
},
{
"id": "jvasp-85433",
"created_at": "2022-09-04T14:36:13.286627Z",
"updated_at": "2022-09-04T14:36:13.286642Z",
"structure_string": "Ca2 Fe2 Cl2 O4\n1.0\n4.882089 0.005126 -0.079328\n-2.416750 2.360003 -0.577545\n-0.200656 1.200620 12.773355\nCa Fe Cl O\n2 2 2 4\ndirect\n0.421017 0.743962 0.827665 Ca\n0.742622 0.425069 0.471188 Ca\n0.142329 0.248780 0.270603 Fe\n0.009186 0.811384 0.004097 Fe\n0.636014 0.250953 0.257877 Cl\n0.328780 0.075048 0.643512 Cl\n0.072450 0.149993 0.130707 O\n0.506953 0.153756 -0.000420 O\n-0.063472 -0.217090 0.858693 O\n0.217275 0.383038 0.420541 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ca",
"Fe",
"Cl",
"O"
],
"chemical_system": "Ca-Cl-Fe-O",
"density": 3.595436862553559,
"density_atomic": 0.06626550388270668,
"volume": 150.90808058594877,
"volume_molar": 9.087897031100068,
"formula_full": "Ca2 Fe2 Cl2 O4",
"formula_reduced": "CaFeClO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.3079693975,
"spacegroup": 8
},
{
"id": "jvasp-107740",
"created_at": "2022-09-04T14:37:40.441485Z",
"updated_at": "2022-09-04T14:37:40.441504Z",
"structure_string": "Sr1 Li1 Al1 Sb2\n1.0\n4.575491 -0.000000 0.000000\n-2.287745 3.962491 0.000000\n-0.000000 -0.000000 7.811211\nSr Li Al Sb\n1 1 1 2\ndirect\n0.333332 0.666666 0.026155 Sr\n0.666666 0.333333 0.365251 Li\n0.000000 0.000000 0.603229 Al\n0.000000 0.000000 0.266248 Sb\n0.666666 0.333333 0.739116 Sb\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Sr",
"Li",
"Al",
"Sb"
],
"chemical_system": "Al-Li-Sb-Sr",
"density": 4.2804753793743835,
"density_atomic": 0.03530576618744733,
"volume": 141.6199261461633,
"volume_molar": 17.057102593459994,
"formula_full": "Sr1 Li1 Al1 Sb2",
"formula_reduced": "SrLiAlSb2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.9294982620000004,
"spacegroup": 156
},
{
"id": "jvasp-43686",
"created_at": "2022-09-04T14:38:11.304681Z",
"updated_at": "2022-09-04T14:38:11.304706Z",
"structure_string": "Li4 Mn4 O4 F8\n1.0\n6.487550 -0.002366 0.023277\n-0.538011 6.465204 -0.023277\n-0.600096 0.552434 5.190658\nLi Mn O F\n4 4 4 8\ndirect\n0.218466 0.609416 0.665813 Li\n0.390583 0.781533 0.165813 Li\n0.609416 0.218465 0.834188 Li\n0.781534 0.390582 0.334187 Li\n0.089407 0.089407 0.750000 Mn\n0.259539 0.259538 0.250000 Mn\n0.740461 0.740460 0.750000 Mn\n0.910593 0.910591 0.250000 Mn\n0.001393 0.193359 0.401128 O\n0.806640 -0.001395 0.901129 O\n0.193359 0.001393 0.098872 O\n-0.001394 0.806640 0.598872 O\n0.128402 0.376879 0.867180 F\n0.290781 0.536783 0.355797 F\n0.376879 0.128401 0.632821 F\n0.463216 0.709217 0.855797 F\n0.536784 0.290781 0.144203 F\n0.623120 0.871597 0.367180 F\n0.709218 0.463215 0.644204 F\n0.871598 0.623119 0.132820 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.5326044823404295,
"density_atomic": 0.09179631194920015,
"volume": 217.8736767885397,
"volume_molar": 6.560329747596655,
"formula_full": "Li4 Mn4 O4 F8",
"formula_reduced": "LiMnOF2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.0017282612758618,
"spacegroup": 15
},
{
"id": "jvasp-29447",
"created_at": "2022-09-04T14:38:06.893754Z",
"updated_at": "2022-09-04T14:38:06.893773Z",
"structure_string": "Mn2 Bi2 S4 Br2\n1.0\n3.702489 -0.000000 -0.000000\n-1.851244 6.245937 -0.148444\n-0.000000 -0.090466 8.921943\nMn Bi S Br\n2 2 4 2\ndirect\n0.500000 0.000000 0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.216682 0.433364 0.786236 Bi\n0.783319 0.566636 0.213765 Bi\n0.119291 0.238581 0.046548 S\n0.556476 0.112952 0.749867 S\n0.880710 0.761419 0.953452 S\n0.443525 0.887048 0.250133 S\n0.127775 0.255550 0.450838 Br\n0.872226 0.744450 0.549162 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Mn",
"Bi",
"S",
"Br"
],
"chemical_system": "Bi-Br-Mn-S",
"density": 6.568141254729863,
"density_atomic": 0.04847902208456596,
"volume": 206.27478793933125,
"volume_molar": 12.422158082098033,
"formula_full": "Mn2 Bi2 S4 Br2",
"formula_reduced": "MnBiS2Br",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.818485129275862,
"spacegroup": 12
},
{
"id": "jvasp-29474",
"created_at": "2022-09-04T14:38:06.330243Z",
"updated_at": "2022-09-04T14:38:06.330265Z",
"structure_string": "Cd2 Sb2 S4 Br2\n1.0\n3.980238 0.000000 -0.000000\n-1.990120 6.522275 -0.144115\n-0.000000 -0.028201 9.662690\nCd Sb S Br\n2 2 4 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.283842 0.567684 0.689244 Sb\n0.716158 0.432317 0.310756 Sb\n0.915266 0.830532 0.741328 S\n0.353781 0.707562 0.447565 S\n0.646220 0.292439 0.552434 S\n0.084735 0.169469 0.258672 S\n0.362853 0.725707 0.075578 Br\n0.637147 0.274294 0.924422 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cd",
"Sb",
"S",
"Br"
],
"chemical_system": "Br-Cd-S-Sb",
"density": 5.007583183393937,
"density_atomic": 0.03986775797283032,
"volume": 250.82925422630865,
"volume_molar": 15.105290756766555,
"formula_full": "Cd2 Sb2 S4 Br2",
"formula_reduced": "CdSbS2Br",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.6117079910000002,
"spacegroup": 12
},
{
"id": "jvasp-26408",
"created_at": "2022-09-04T14:37:40.735780Z",
"updated_at": "2022-09-04T14:37:40.735800Z",
"structure_string": "Sr2 Bi2 I2 O4\n1.0\n0.000000 5.925234 0.000001\n5.817488 0.000000 0.000000\n0.000000 -2.962543 -6.769170\nSr Bi I O\n2 2 2 4\ndirect\n0.594047 0.750000 0.188095 Sr\n0.405953 0.250000 0.811905 Sr\n0.924552 0.750000 0.849105 Bi\n0.075448 0.250000 0.150895 Bi\n0.255031 0.750000 0.510062 I\n0.744969 0.250000 0.489938 I\n0.233281 0.499999 0.000001 O\n0.233281 0.000001 0.000001 O\n0.766719 -0.000001 -0.000001 O\n0.766719 0.500001 -0.000001 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Bi",
"I",
"O"
],
"chemical_system": "Bi-I-O-Sr",
"density": 6.483277072995382,
"density_atomic": 0.042857181735935834,
"volume": 233.33312166009694,
"volume_molar": 14.051649026073088,
"formula_full": "Sr2 Bi2 I2 O4",
"formula_reduced": "SrBiIO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.6295847770000002,
"spacegroup": 63
},
{
"id": "jvasp-106999",
"created_at": "2022-09-04T14:38:06.121806Z",
"updated_at": "2022-09-04T14:38:06.121830Z",
"structure_string": "Dy2 P2 Ru4 C2\n1.0\n5.842892 -0.004676 0.000000\n-4.618799 3.578561 0.000000\n-0.000000 -0.000000 7.066865\nDy P Ru C\n2 2 4 2\ndirect\n0.543908 0.456090 0.250000 Dy\n0.456090 0.543908 0.750001 Dy\n0.268329 0.731670 0.250000 P\n0.731669 0.268329 0.750001 P\n0.834739 0.165259 0.053131 Ru\n0.165260 0.834739 0.946870 Ru\n0.165260 0.834739 0.553131 Ru\n0.834739 0.165259 0.446869 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Dy",
"P",
"Ru",
"C"
],
"chemical_system": "C-Dy-P-Ru",
"density": 9.171177042061247,
"density_atomic": 0.06774632566244225,
"volume": 147.60948143264218,
"volume_molar": 8.889250746979778,
"formula_full": "Dy2 P2 Ru4 C2",
"formula_reduced": "DyPRu2C",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.9972606,
"spacegroup": 63
},
{
"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-29391",
"created_at": "2022-09-04T14:38:01.996676Z",
"updated_at": "2022-09-04T14:38:01.996696Z",
"structure_string": "Cu2 Bi2 S2 Cl4\n1.0\n4.059917 0.000000 0.000000\n-2.029959 6.398718 0.000000\n0.000000 0.000000 8.509328\nCu Bi S Cl\n2 2 2 4\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.707403 0.414806 0.250000 Bi\n0.292597 0.585194 0.750000 Bi\n0.935219 0.870438 0.750000 S\n0.064781 0.129562 0.250000 S\n0.351317 0.702634 0.064358 Cl\n0.351317 0.702634 0.435642 Cl\n0.648683 0.297367 0.935642 Cl\n0.648683 0.297367 0.564358 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cu",
"Bi",
"S",
"Cl"
],
"chemical_system": "Bi-Cl-Cu-S",
"density": 5.641318725779136,
"density_atomic": 0.04523708479793213,
"volume": 221.05756913091622,
"volume_molar": 13.312397973698085,
"formula_full": "Cu2 Bi2 S2 Cl4",
"formula_reduced": "CuBiSCl2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.4151285769999999,
"spacegroup": 63
},
{
"id": "jvasp-100427",
"created_at": "2022-09-04T14:36:47.943911Z",
"updated_at": "2022-09-04T14:36:47.943928Z",
"structure_string": "Bi1 Pb1 I1 O2\n1.0\n3.904522 -0.006344 -6.373370\n-0.315814 3.891734 -6.373370\n0.005860 0.006344 7.474296\nBi Pb I O\n1 1 1 2\ndirect\n0.335408 0.335408 0.000000 Bi\n0.660194 0.660193 0.000000 Pb\n0.991561 0.991560 0.000000 I\n0.756418 0.256418 0.500000 O\n0.256419 0.756417 0.500000 O\n",
"nsites": 5,
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"elements": [
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"Pb",
"I",
"O"
],
"chemical_system": "Bi-I-O-Pb",
"density": 8.385875357468528,
"density_atomic": 0.04390745594979496,
"volume": 113.8758757901424,
"volume_molar": 13.715531063530277,
"formula_full": "Bi1 Pb1 I1 O2",
"formula_reduced": "BiPbIO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.9591556790000002,
"spacegroup": 107
},
{
"id": "jvasp-54835",
"created_at": "2022-09-04T14:37:41.361933Z",
"updated_at": "2022-09-04T14:37:41.361952Z",
"structure_string": "Cd2 Bi2 Se4 I2\n1.0\n4.245405 -0.000000 0.000000\n-2.122702 6.895957 -0.138236\n0.000000 -0.050097 10.211763\nCd Bi Se I\n2 2 4 2\ndirect\n-0.000000 -0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.282865 0.565731 0.688425 Bi\n0.717134 0.434269 0.311574 Bi\n0.357211 0.714422 0.440223 Se\n0.642788 0.285578 0.559776 Se\n0.919866 0.839733 0.741681 Se\n0.080133 0.160267 0.258318 Se\n0.640328 0.280656 0.925123 I\n0.359671 0.719344 0.074876 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Se",
"I"
],
"chemical_system": "Bi-Cd-I-Se",
"density": 6.7349551383276705,
"density_atomic": 0.03345247945200673,
"volume": 298.93150414595425,
"volume_molar": 18.002075955654604,
"formula_full": "Cd2 Bi2 Se4 I2",
"formula_reduced": "CdBiSe2I",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.2145214116666668,
"spacegroup": 12
}
]
}