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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=850",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=848",
"results": [
{
"id": "jvasp-21368",
"created_at": "2022-09-04T14:37:59.226791Z",
"updated_at": "2022-09-04T14:37:59.226802Z",
"structure_string": "Ca1 Mg1 C2 O6\n1.0\n4.410458 -0.021245 4.051422\n1.766542 4.041278 4.051422\n-0.032644 -0.021245 5.988748\nCa Mg C O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500001 0.499999 0.500000 Mg\n0.757108 0.757106 0.757107 C\n0.242893 0.242892 0.242893 C\n0.721926 0.507632 0.038710 O\n0.038710 0.721925 0.507633 O\n0.492368 0.961289 0.278074 O\n0.278076 0.492366 0.961290 O\n0.961291 0.278073 0.492367 O\n0.507634 0.038709 0.721926 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ca",
"Mg",
"C",
"O"
],
"chemical_system": "C-Ca-Mg-O",
"density": 2.8422720069779297,
"density_atomic": 0.09282260223461024,
"volume": 107.73238154565932,
"volume_molar": 6.4877956607798675,
"formula_full": "Ca1 Mg1 C2 O6",
"formula_reduced": "CaMg(CO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.792422047,
"spacegroup": 148
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{
"id": "jvasp-25029",
"created_at": "2022-09-04T14:38:28.274411Z",
"updated_at": "2022-09-04T14:38:28.274428Z",
"structure_string": "Ca4 Mg4 Ge4 O16\n1.0\n5.047885 0.000000 0.000000\n-0.000000 6.412992 0.000000\n0.000000 0.000000 11.283321\nCa Mg Ge O\n4 4 4 16\ndirect\n0.511373 0.250000 0.774549 Ca\n0.988629 0.250000 0.274549 Ca\n0.488628 0.750000 0.225450 Ca\n0.011372 0.750000 0.725450 Ca\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.923022 0.750000 0.419407 Ge\n0.576980 0.750000 0.919407 Ge\n0.423021 0.250000 0.080593 Ge\n0.076979 0.250000 0.580593 Ge\n0.737153 0.969764 0.851903 O\n0.772190 0.250000 0.079463 O\n0.272189 0.750000 0.420537 O\n0.737153 0.530235 0.851903 O\n0.262848 0.030235 0.148097 O\n0.742627 0.750000 0.558331 O\n0.227811 0.750000 0.920537 O\n0.762848 0.530235 0.351903 O\n0.727812 0.250000 0.579463 O\n0.237153 0.469764 0.648097 O\n0.237153 0.030235 0.648097 O\n0.757374 0.750000 0.058331 O\n0.242627 0.250000 0.941669 O\n0.262848 0.469764 0.148097 O\n0.762848 0.969764 0.351903 O\n0.257374 0.250000 0.441669 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ca",
"Mg",
"Ge",
"O"
],
"chemical_system": "Ca-Ge-Mg-O",
"density": 3.6554644076465146,
"density_atomic": 0.07665684437086229,
"volume": 365.2641878204285,
"volume_molar": 7.855972691577493,
"formula_full": "Ca4 Mg4 Ge4 O16",
"formula_reduced": "CaMgGeO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.11018706,
"spacegroup": 62
},
{
"id": "jvasp-40257",
"created_at": "2022-09-04T14:37:51.017537Z",
"updated_at": "2022-09-04T14:37:51.017564Z",
"structure_string": "Ca1 Mg1 Hg2\n1.0\n-0.000000 3.610093 3.610093\n3.610093 0.000000 3.610093\n3.610093 3.610093 0.000000\nCa Mg Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.749999 0.749999 0.749999 Mg\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Hg"
],
"chemical_system": "Ca-Hg-Mg",
"density": 8.215658713871642,
"density_atomic": 0.042508406577114924,
"volume": 94.09903409913896,
"volume_molar": 14.166940718126366,
"formula_full": "Ca1 Mg1 Hg2",
"formula_reduced": "CaMgHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-17230",
"created_at": "2022-09-04T14:38:17.815952Z",
"updated_at": "2022-09-04T14:38:17.815982Z",
"structure_string": "Ca1 Mg1 Ni4\n1.0\n4.283372 0.000000 2.473006\n1.427790 4.038402 2.473006\n-0.000000 -0.000000 4.946012\nCa Mg Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Mg\n0.624261 0.624261 0.624262 Ni\n0.624261 0.624261 0.127217 Ni\n0.127216 0.624261 0.624261 Ni\n0.624261 0.127216 0.624261 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Ni"
],
"chemical_system": "Ca-Mg-Ni",
"density": 5.806269350821944,
"density_atomic": 0.07012950006760431,
"volume": 85.55600701867324,
"volume_molar": 8.587171952166637,
"formula_full": "Ca1 Mg1 Ni4",
"formula_reduced": "CaMgNi4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6283665916666668,
"spacegroup": 216
},
{
"id": "jvasp-55713",
"created_at": "2022-09-04T14:38:09.149550Z",
"updated_at": "2022-09-04T14:38:09.149573Z",
"structure_string": "Ca4 Mg4 Ni4 H16\n1.0\n6.688846 -0.000000 0.000000\n-0.000000 6.688846 0.000000\n0.000000 -0.000000 6.688846\nCa Mg Ni H\n4 4 4 16\ndirect\n0.660200 0.839801 0.160199 Ca\n0.839801 0.160199 0.660200 Ca\n0.160199 0.660200 0.839801 Ca\n0.339801 0.339801 0.339801 Ca\n0.341977 0.158023 0.841978 Mg\n0.158023 0.841978 0.341977 Mg\n0.841978 0.341977 0.158023 Mg\n0.658023 0.658023 0.658023 Mg\n0.047692 0.047692 0.047692 Ni\n0.452308 0.952309 0.547692 Ni\n0.547692 0.452308 0.952309 Ni\n0.952309 0.547692 0.452308 Ni\n0.590526 0.090526 0.409475 H\n0.909475 0.909475 0.909475 H\n0.055649 0.564433 0.236753 H\n0.236753 0.055649 0.564433 H\n0.564433 0.236753 0.055649 H\n0.935568 0.763247 0.555649 H\n0.736754 0.444352 0.435568 H\n0.944352 0.064432 0.263247 H\n0.263247 0.944352 0.064432 H\n0.763247 0.555649 0.935568 H\n0.064432 0.263247 0.944352 H\n0.555649 0.935568 0.763247 H\n0.409475 0.590526 0.090526 H\n0.444352 0.435568 0.736754 H\n0.435568 0.736754 0.444352 H\n0.090526 0.409475 0.590526 H\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ca",
"Mg",
"Ni",
"H"
],
"chemical_system": "Ca-H-Mg-Ni",
"density": 2.8211678720555917,
"density_atomic": 0.09356306493057369,
"volume": 299.2633901078033,
"volume_molar": 6.436450926942795,
"formula_full": "Ca4 Mg4 Ni4 H16",
"formula_reduced": "CaMgNiH4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.5695645528571431,
"spacegroup": 198
},
{
"id": "jvasp-41727",
"created_at": "2022-09-04T14:37:36.843914Z",
"updated_at": "2022-09-04T14:37:36.843933Z",
"structure_string": "Ca4 Mg4 Pb4\n1.0\n4.719700 0.000000 0.000000\n0.000000 7.895221 0.000000\n0.000000 0.000000 8.905137\nCa Mg Pb\n4 4 4\ndirect\n0.250000 0.022159 0.182749 Ca\n0.250000 0.522159 0.317252 Ca\n0.750000 0.477841 0.682749 Ca\n0.750000 0.977840 0.817252 Ca\n0.750000 0.358233 0.061196 Mg\n0.750000 0.858233 0.438804 Mg\n0.250000 0.141767 0.561196 Mg\n0.250000 0.641767 0.938805 Mg\n0.750000 0.738993 0.118125 Pb\n0.750000 0.238993 0.381875 Pb\n0.250000 0.761007 0.618125 Pb\n0.250000 0.261007 0.881875 Pb\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Pb"
],
"chemical_system": "Ca-Mg-Pb",
"density": 5.436161864023312,
"density_atomic": 0.03616279216733634,
"volume": 331.83278394191234,
"volume_molar": 16.65286444734053,
"formula_full": "Ca4 Mg4 Pb4",
"formula_reduced": "CaMgPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-120485",
"created_at": "2022-09-04T14:38:50.959599Z",
"updated_at": "2022-09-04T14:38:50.959623Z",
"structure_string": "Ca2 Mg2 P2 O8 F2\n1.0\n5.328606 -0.026101 1.242889\n-1.883318 4.984760 1.242889\n0.011472 0.016511 6.929326\nCa Mg P O F\n2 2 2 8 2\ndirect\n0.662468 0.337532 0.750001 Ca\n0.337532 0.662468 0.250000 Ca\n-0.000000 -0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.320739 0.679260 0.750001 P\n0.679261 0.320740 0.250000 P\n0.598442 0.742683 0.588233 O\n0.401558 0.257317 0.411768 O\n0.257317 0.401558 0.911768 O\n0.742683 0.598442 0.088232 O\n0.328827 0.890163 0.868828 O\n0.671173 0.109837 0.131173 O\n0.109836 0.671173 0.631174 O\n0.890164 0.328827 0.368827 O\n0.915552 0.084449 0.750000 F\n0.084448 0.915551 0.250000 F\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Ca",
"Mg",
"P",
"O",
"F"
],
"chemical_system": "Ca-F-Mg-O-P",
"density": 3.2280007179645334,
"density_atomic": 0.08719561900543539,
"volume": 183.49545748396636,
"volume_molar": 6.9064717111815055,
"formula_full": "Ca2 Mg2 P2 O8 F2",
"formula_reduced": "CaMgPO4F",
"formula_anonymous": "ABCDE4",
"energy_above_hull": 1.2303136565625,
"spacegroup": 15
},
{
"id": "jvasp-111099",
"created_at": "2022-09-04T14:38:37.050690Z",
"updated_at": "2022-09-04T14:38:37.050723Z",
"structure_string": "Ca1 Mg1 P2 Se6\n1.0\n5.873482 -0.116906 5.085376\n2.253175 5.425371 5.085376\n-0.178969 -0.116906 7.767033\nCa Mg P Se\n1 1 2 6\ndirect\n0.828929 0.828926 0.828929 Ca\n0.171292 0.171291 0.171292 Mg\n0.555197 0.555195 0.555197 P\n0.443591 0.443590 0.443591 P\n0.916625 0.272936 0.573782 Se\n0.573782 0.916624 0.272938 Se\n0.272938 0.573780 0.916625 Se\n0.110653 0.754797 0.372200 Se\n0.372200 0.110651 0.754798 Se\n0.754798 0.372199 0.110653 Se\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ca",
"Mg",
"P",
"Se"
],
"chemical_system": "Ca-Mg-P-Se",
"density": 3.8811769391606257,
"density_atomic": 0.03894911336771659,
"volume": 256.74525388012074,
"volume_molar": 15.461560583280233,
"formula_full": "Ca1 Mg1 P2 Se6",
"formula_reduced": "CaMg(PSe3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.481390067,
"spacegroup": 146
},
{
"id": "jvasp-106119",
"created_at": "2022-09-04T14:35:48.276742Z",
"updated_at": "2022-09-04T14:35:48.276758Z",
"structure_string": "Ca1 Mg1 S2\n1.0\n3.692719 0.002653 5.551865\n1.679714 3.288577 5.551865\n0.004331 0.002653 6.667786\nCa Mg S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500002 Mg\n0.243155 0.243155 0.243156 S\n0.756845 0.756844 0.756847 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"S"
],
"chemical_system": "Ca-Mg-S",
"density": 2.6399945663857247,
"density_atomic": 0.04948423549338713,
"volume": 80.83382435067716,
"volume_molar": 12.169816710222337,
"formula_full": "Ca1 Mg1 S2",
"formula_reduced": "CaMgS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1314098674999999,
"spacegroup": 166
},
{
"id": "jvasp-2994",
"created_at": "2022-09-04T14:36:38.523805Z",
"updated_at": "2022-09-04T14:36:38.523831Z",
"structure_string": "Ca1 Mg2 Sb2\n1.0\n2.331295 -4.037921 0.000000\n2.331295 4.037921 0.000000\n0.000000 0.000000 7.541484\nCa Mg Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666668 0.333334 0.368473 Mg\n0.333334 0.666668 0.631527 Mg\n0.333334 0.666668 0.243201 Sb\n0.666668 0.333334 0.756799 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Sb"
],
"chemical_system": "Ca-Mg-Sb",
"density": 3.885235285033992,
"density_atomic": 0.035215036634095316,
"volume": 141.98480188883244,
"volume_molar": 17.101049255105256,
"formula_full": "Ca1 Mg2 Sb2",
"formula_reduced": "Ca(MgSb)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0709681439999997,
"spacegroup": 164
},
{
"id": "jvasp-21060",
"created_at": "2022-09-04T14:37:38.382918Z",
"updated_at": "2022-09-04T14:37:38.382946Z",
"structure_string": "Ca4 Mg4 Si4\n1.0\n4.421945 -0.000000 0.000000\n0.000000 7.452786 0.000000\n0.000000 0.000000 8.296266\nCa Mg Si\n4 4 4\ndirect\n0.250000 0.019385 0.180820 Ca\n0.750001 0.980616 0.819180 Ca\n0.250000 0.519385 0.319180 Ca\n0.750001 0.480616 0.680820 Ca\n0.750001 0.855349 0.436294 Mg\n0.250000 0.644652 0.936294 Mg\n0.750001 0.355348 0.063706 Mg\n0.250000 0.144652 0.563706 Mg\n0.250000 0.269398 0.884922 Si\n0.750001 0.230602 0.384922 Si\n0.250000 0.769399 0.615079 Si\n0.750001 0.730602 0.115078 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Si"
],
"chemical_system": "Ca-Mg-Si",
"density": 2.2464059754237176,
"density_atomic": 0.04389010201132853,
"volume": 273.4101642530397,
"volume_molar": 13.720954119554378,
"formula_full": "Ca4 Mg4 Si4",
"formula_reduced": "CaMgSi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3752726899999998,
"spacegroup": 62
},
{
"id": "jvasp-88736",
"created_at": "2022-09-04T14:35:55.571582Z",
"updated_at": "2022-09-04T14:35:55.571608Z",
"structure_string": "Ca4 Mg4 Si8 O24\n1.0\n9.772219 0.000000 -0.516764\n0.000000 8.296041 0.000000\n0.309195 0.000000 5.371853\nCa Mg Si O\n4 4 8 24\ndirect\n0.730051 0.445647 0.600516 Ca\n0.269950 0.945647 0.899484 Ca\n0.269950 0.554353 0.399484 Ca\n0.730051 0.054353 0.100516 Ca\n0.233840 0.333521 0.879080 Mg\n0.766161 0.833521 0.620920 Mg\n0.766160 0.666479 0.120920 Mg\n0.233840 0.166479 0.379080 Mg\n0.036805 0.847696 0.271090 Si\n0.963196 0.347696 0.228911 Si\n0.036805 0.652304 0.771089 Si\n0.963196 0.152304 0.728911 Si\n0.499742 0.669944 0.964188 Si\n0.499741 0.830056 0.464188 Si\n0.500259 0.330056 0.035812 Si\n0.500259 0.169944 0.535812 Si\n0.370452 0.310276 0.560996 O\n0.902159 0.271092 0.961225 O\n0.097842 0.771092 0.538775 O\n0.128574 0.352986 0.216545 O\n0.871426 0.852986 0.283456 O\n0.871426 0.647014 0.783455 O\n0.128575 0.147014 0.716545 O\n0.370452 0.189724 0.060996 O\n0.629549 0.689724 0.439005 O\n0.629549 0.810276 0.939004 O\n0.385876 0.490782 0.029005 O\n0.117975 0.010872 0.214943 O\n0.614124 0.509217 0.970995 O\n0.385876 0.009217 0.529005 O\n0.587494 0.273598 0.298382 O\n0.412507 0.773598 0.201619 O\n0.412507 0.726402 0.701619 O\n0.587494 0.226402 0.798381 O\n0.902158 0.228908 0.461225 O\n0.882026 0.510872 0.285058 O\n0.882026 0.989128 0.785057 O\n0.117975 0.489128 0.714942 O\n0.614124 0.990782 0.470995 O\n0.097842 0.728908 0.038775 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Ca",
"Mg",
"Si",
"O"
],
"chemical_system": "Ca-Mg-O-Si",
"density": 3.292759466971724,
"density_atomic": 0.09156972698170464,
"volume": 436.82558983704166,
"volume_molar": 6.576562973921726,
"formula_full": "Ca4 Mg4 Si8 O24",
"formula_reduced": "CaMg(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.022734767,
"spacegroup": 14
}
]
}