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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=4431",
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"results": [
{
"id": "jvasp-113132",
"created_at": "2022-09-04T14:38:46.544943Z",
"updated_at": "2022-09-04T14:38:46.544977Z",
"structure_string": "Sm2 Mg2 Mn2 S8\n1.0\n6.722572 -0.000830 4.046217\n2.303770 6.179938 3.772421\n0.011081 -0.014425 7.602307\nSm Mg Mn S\n2 2 2 8\ndirect\n0.500002 0.500005 0.499993 Sm\n-0.000003 0.499997 0.500007 Sm\n0.874291 0.875874 0.875625 Mg\n0.125712 0.124124 0.124373 Mg\n0.499997 0.499999 -0.000002 Mn\n0.500001 0.000005 0.499998 Mn\n0.708845 0.761082 0.761056 S\n0.270870 0.227845 0.729828 S\n0.271489 0.729726 0.227896 S\n0.730793 0.238679 0.239232 S\n0.728501 0.270277 0.772104 S\n0.269209 0.761318 0.760771 S\n0.291154 0.238910 0.238955 S\n0.729137 0.772161 0.270169 S\n",
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"density": 3.763343817808624,
"density_atomic": 0.04433084266878106,
"volume": 315.8072158610052,
"volume_molar": 13.584539335276272,
"formula_full": "Sm2 Mg2 Mn2 S8",
"formula_reduced": "SmMgMnS4",
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"spacegroup": 74
},
{
"id": "jvasp-112349",
"created_at": "2022-09-04T14:38:27.238197Z",
"updated_at": "2022-09-04T14:38:27.238228Z",
"structure_string": "Sm3 Mg1 Ti4 O14\n1.0\n6.258830 -0.001205 3.446197\n2.035991 5.918420 3.446197\n-0.001690 -0.001205 7.144874\nSm Mg Ti O\n3 1 4 14\ndirect\n0.000000 0.500000 0.500000 Sm\n0.500000 0.500000 0.000001 Sm\n0.500000 -0.000001 0.500000 Sm\n0.500000 0.499999 0.500000 Mg\n0.000000 0.000000 0.000000 Ti\n0.500000 -0.000000 0.000000 Ti\n0.000000 -0.000000 0.500000 Ti\n-0.000000 0.500000 0.000000 Ti\n0.677698 0.070556 0.677698 O\n0.080021 0.671917 0.080022 O\n0.080022 0.080021 0.671917 O\n0.677698 0.677697 0.070558 O\n0.671917 0.080021 0.080022 O\n0.070557 0.677697 0.677698 O\n0.322302 0.322301 0.929443 O\n0.919979 0.328081 0.919979 O\n0.919979 0.919977 0.328084 O\n0.385966 0.385966 0.385967 O\n0.328083 0.919977 0.919979 O\n0.929443 0.322301 0.322303 O\n0.322302 0.929442 0.322303 O\n0.614034 0.614033 0.614034 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sm",
"Mg",
"Ti",
"O"
],
"chemical_system": "Mg-O-Sm-Ti",
"density": 5.58783328051163,
"density_atomic": 0.08310268800486824,
"volume": 264.7327123607749,
"volume_molar": 7.246625716423537,
"formula_full": "Sm3 Mg1 Ti4 O14",
"formula_reduced": "Sm3MgTi4O14",
"formula_anonymous": "AB3C4D14",
"energy_above_hull": 2.897212636742424,
"spacegroup": 166
},
{
"id": "jvasp-119239",
"created_at": "2022-09-04T14:38:49.137264Z",
"updated_at": "2022-09-04T14:38:49.137288Z",
"structure_string": "Sm3 Mg2 Ti1 S8\n1.0\n6.838787 -0.000031 3.948211\n2.279701 6.306787 3.948293\n-0.000008 0.000045 7.896613\nSm Mg Ti S\n3 2 1 8\ndirect\n0.500002 0.500010 0.499989 Sm\n0.499996 0.499994 -0.000000 Sm\n0.000001 0.499995 0.500007 Sm\n0.875540 0.873386 0.875538 Mg\n0.124460 0.126614 0.124462 Mg\n0.500003 0.999999 0.500003 Ti\n0.732001 0.771133 0.732007 S\n0.268005 0.228863 0.735142 S\n0.252386 0.742832 0.252385 S\n0.735143 0.228866 0.267996 S\n0.747608 0.257169 0.747605 S\n0.264857 0.771137 0.731999 S\n0.267996 0.228858 0.268005 S\n0.732006 0.771140 0.264857 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Mg",
"Ti",
"S"
],
"chemical_system": "Mg-S-Sm-Ti",
"density": 3.9202946392255216,
"density_atomic": 0.041105506816819,
"volume": 340.5869695850987,
"volume_molar": 14.65044765616645,
"formula_full": "Sm3 Mg2 Ti1 S8",
"formula_reduced": "Sm3Mg2TiS8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 1.799072361309524,
"spacegroup": 166
},
{
"id": "jvasp-40641",
"created_at": "2022-09-04T14:38:01.218830Z",
"updated_at": "2022-09-04T14:38:01.218855Z",
"structure_string": "Sm6 Mn2 Al2 S14\n1.0\n0.000000 9.669270 0.000069\n6.138686 0.000000 0.000000\n0.000000 -4.834614 -8.373861\nSm Mn Al S\n6 2 2 14\ndirect\n0.375068 0.225256 0.214664 Sm\n0.624932 0.725257 0.785336 Sm\n0.785337 0.225257 0.160404 Sm\n0.839597 0.225258 0.624933 Sm\n0.160403 0.725258 0.375067 Sm\n0.214663 0.725257 0.839596 Sm\n0.000000 0.060525 0.000000 Mn\n-0.000000 0.560526 -0.000000 Mn\n0.666670 0.651121 0.333334 Al\n0.333330 0.151121 0.666666 Al\n0.563399 0.506131 0.475551 S\n0.912146 0.506131 0.436597 S\n0.475551 0.006130 0.912149 S\n0.524450 0.506131 0.087851 S\n0.124398 0.315179 0.903402 S\n0.096598 0.315180 0.220995 S\n0.333332 0.512652 0.666665 S\n0.875602 0.815179 0.096598 S\n0.779005 0.315181 0.875603 S\n0.220995 0.815181 0.124396 S\n0.436601 0.006131 0.524449 S\n0.666668 0.012652 0.333335 S\n0.903402 0.815180 0.779005 S\n0.087854 0.006130 0.563403 S\n",
"nsites": 24,
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"elements": [
"Sm",
"Mn",
"Al",
"S"
],
"chemical_system": "Al-Mn-S-Sm",
"density": 5.061073284734705,
"density_atomic": 0.048285660507364575,
"volume": 497.0419737002354,
"volume_molar": 12.471903038545983,
"formula_full": "Sm6 Mn2 Al2 S14",
"formula_reduced": "Sm3MnAlS7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 2.272655555531609,
"spacegroup": 173
},
{
"id": "jvasp-104695",
"created_at": "2022-09-04T14:36:55.535697Z",
"updated_at": "2022-09-04T14:36:55.535728Z",
"structure_string": "Sm1 Mn1 Co3 Cu1\n1.0\n5.002144 0.000000 0.000000\n-2.501071 4.331984 0.000000\n0.000000 -0.000000 3.880781\nSm Mn Co Cu\n1 1 3 1\ndirect\n0.666666 0.333333 -0.000000 Sm\n0.333333 0.666666 -0.000000 Mn\n0.666034 0.833017 0.500000 Co\n0.166982 0.833017 0.500000 Co\n0.166983 0.333965 0.500000 Co\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Sm",
"Mn",
"Co",
"Cu"
],
"chemical_system": "Co-Cu-Mn-Sm",
"density": 8.799837074589542,
"density_atomic": 0.07134919560711557,
"volume": 84.09344981321173,
"volume_molar": 8.440376529485945,
"formula_full": "Sm1 Mn1 Co3 Cu1",
"formula_reduced": "SmMnCo3Cu",
"formula_anonymous": "ABCD3",
"energy_above_hull": 2.802111544396552,
"spacegroup": 187
},
{
"id": "jvasp-120445",
"created_at": "2022-09-04T14:38:52.171957Z",
"updated_at": "2022-09-04T14:38:52.171984Z",
"structure_string": "Sm2 Mn3 Cu9 P7\n1.0\n3.791625 -0.000000 0.000000\n-0.000000 8.345582 4.708644\n-0.000000 0.160901 9.451504\nSm Mn Cu P\n2 3 9 7\ndirect\n0.000000 0.670528 0.663729 Sm\n0.500001 0.329162 0.337344 Sm\n0.500001 0.790170 0.118869 Mn\n0.500001 0.136392 0.081831 Mn\n0.500001 0.065021 0.816706 Mn\n0.500001 0.421904 0.613775 Cu\n0.500001 0.958727 0.425490 Cu\n0.500001 0.612296 0.961277 Cu\n0.000000 0.888845 0.266030 Cu\n0.000000 0.286136 0.834774 Cu\n0.000000 0.048561 0.572366 Cu\n0.000000 0.381961 0.050058 Cu\n0.000000 0.570336 0.384385 Cu\n0.000000 0.832622 0.882288 Cu\n0.500001 0.416385 0.877688 P\n0.000000 0.585533 0.130141 P\n0.000000 0.124299 0.284922 P\n0.000000 0.278179 0.595391 P\n0.500001 0.883978 0.712243 P\n0.500001 0.711114 0.407991 P\n0.000000 0.007846 -0.017304 P\n",
"nsites": 21,
"nelements": 4,
"elements": [
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"Mn",
"Cu",
"P"
],
"chemical_system": "Cu-Mn-P-Sm",
"density": 7.03148161592839,
"density_atomic": 0.07089701057291406,
"volume": 296.2043086203549,
"volume_molar": 8.494209715382183,
"formula_full": "Sm2 Mn3 Cu9 P7",
"formula_reduced": "Sm2Mn3Cu9P7",
"formula_anonymous": "A2B3C7D9",
"energy_above_hull": 1.96167771543514,
"spacegroup": 6
},
{
"id": "jvasp-111698",
"created_at": "2022-09-04T14:38:40.717262Z",
"updated_at": "2022-09-04T14:38:40.717284Z",
"structure_string": "Sm6 Mn2 Ga2 S14\n1.0\n9.815257 -0.000000 -0.000000\n-4.907628 8.500262 0.000000\n0.000000 0.000000 6.198248\nSm Mn Ga S\n6 2 2 14\ndirect\n0.777019 0.155014 0.236222 Sm\n0.377996 0.222981 0.236222 Sm\n0.844986 0.622004 0.236222 Sm\n0.222981 0.844985 0.736222 Sm\n0.622004 0.777019 0.736222 Sm\n0.155014 0.377995 0.736222 Sm\n0.000000 0.000000 0.036001 Mn\n0.000000 0.000000 0.536001 Mn\n0.666667 0.333333 0.659651 Ga\n0.333333 0.666667 0.159650 Ga\n0.432004 0.521158 0.006254 S\n0.478842 0.910846 0.006254 S\n0.089153 0.567996 0.006254 S\n0.567996 0.478842 0.506255 S\n0.521158 0.089153 0.506255 S\n0.910847 0.432004 0.506255 S\n0.242420 0.139324 0.813090 S\n0.757580 0.860676 0.313089 S\n0.139323 0.896903 0.313089 S\n0.896904 0.757580 0.813090 S\n0.666667 0.333333 0.024655 S\n0.860677 0.103096 0.813090 S\n0.103096 0.242420 0.313089 S\n0.333333 0.666667 0.524655 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Mn",
"Ga",
"S"
],
"chemical_system": "Ga-Mn-S-Sm",
"density": 5.1389282867519,
"density_atomic": 0.04640965128848194,
"volume": 517.1338144907884,
"volume_molar": 12.976052594246898,
"formula_full": "Sm6 Mn2 Ga2 S14",
"formula_reduced": "Sm3MnGaS7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 2.061980515948276,
"spacegroup": 173
},
{
"id": "jvasp-56738",
"created_at": "2022-09-04T14:38:20.368751Z",
"updated_at": "2022-09-04T14:38:20.368771Z",
"structure_string": "Sm4 Mn2 Ni2 O12\n1.0\n0.000000 5.331990 -0.000372\n5.567448 0.000000 0.000000\n0.000000 -5.297684 -7.613791\nSm Mn Ni O\n4 2 2 12\ndirect\n0.765507 0.437340 0.250539 Sm\n0.765508 0.062660 0.750539 Sm\n0.234493 0.562661 0.749460 Sm\n0.234492 0.937340 0.249460 Sm\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 -0.000000 Mn\n0.000000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.259777 0.288371 0.952616 O\n0.740224 0.788371 0.547384 O\n0.259776 0.211629 0.452616 O\n0.654946 0.478011 0.743707 O\n0.837146 0.195612 0.045060 O\n0.162855 0.804388 0.954940 O\n0.345054 0.521989 0.256293 O\n0.837146 0.304388 0.545060 O\n0.162854 0.695612 0.454940 O\n0.345054 0.978011 0.756293 O\n0.654946 0.021989 0.243707 O\n0.740224 0.711630 0.047384 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Mn",
"Ni",
"O"
],
"chemical_system": "Mn-Ni-O-Sm",
"density": 7.498559631919712,
"density_atomic": 0.08848353541353687,
"volume": 226.03075144463827,
"volume_molar": 6.805945006440924,
"formula_full": "Sm4 Mn2 Ni2 O12",
"formula_reduced": "Sm2MnNiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.4640798391379306,
"spacegroup": 14
},
{
"id": "jvasp-103643",
"created_at": "2022-09-04T14:36:51.645541Z",
"updated_at": "2022-09-04T14:36:51.645565Z",
"structure_string": "Sm2 Mn4 Si2 C2\n1.0\n5.633934 0.010103 0.000000\n-4.359719 3.568496 0.000000\n0.000000 0.000000 7.001528\nSm Mn Si C\n2 4 2 2\ndirect\n0.546126 0.453874 0.250000 Sm\n0.453874 0.546126 0.750000 Sm\n0.831780 0.168218 0.063267 Mn\n0.168219 0.831782 0.936734 Mn\n0.168219 0.831782 0.563267 Mn\n0.831780 0.168218 0.436734 Mn\n0.266835 0.733166 0.250000 Si\n0.733164 0.266834 0.750000 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-Sm",
"density": 7.0703496217699655,
"density_atomic": 0.07088588552936777,
"volume": 141.07180753010465,
"volume_molar": 8.495542822139182,
"formula_full": "Sm2 Mn4 Si2 C2",
"formula_reduced": "SmMn2SiC",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.987776391551724,
"spacegroup": 63
},
{
"id": "jvasp-57366",
"created_at": "2022-09-04T14:37:44.404396Z",
"updated_at": "2022-09-04T14:37:44.404411Z",
"structure_string": "Sm2 Mo2 Cl2 O8\n1.0\n6.200994 -0.000212 1.501898\n1.793357 5.936007 1.501898\n0.011467 0.008514 6.940336\nSm Mo Cl O\n2 2 2 8\ndirect\n0.221821 0.221820 0.889408 Sm\n0.778180 0.778181 0.110593 Sm\n0.637392 0.637391 0.730826 Mo\n0.362609 0.362609 0.269175 Mo\n0.010180 0.010179 0.239570 Cl\n0.989821 0.989821 0.760431 Cl\n0.116473 0.489530 0.152106 O\n0.706126 0.706126 0.468764 O\n0.460930 0.460929 0.793673 O\n0.293875 0.293874 0.531237 O\n0.539071 0.539071 0.206328 O\n0.510470 0.883527 0.847895 O\n0.883527 0.510470 0.847895 O\n0.489530 0.116473 0.152106 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Mo",
"Cl",
"O"
],
"chemical_system": "Cl-Mo-O-Sm",
"density": 4.497498551578151,
"density_atomic": 0.05483489702809401,
"volume": 255.31186814898672,
"volume_molar": 10.98231434065542,
"formula_full": "Sm2 Mo2 Cl2 O8",
"formula_reduced": "SmMoClO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.4306932632142857,
"spacegroup": 12
},
{
"id": "jvasp-16128",
"created_at": "2022-09-04T14:36:40.317448Z",
"updated_at": "2022-09-04T14:36:40.317470Z",
"structure_string": "Sm1 Ni2 B2 C1\n1.0\n3.463899 -0.000000 -1.153503\n-0.384125 3.442534 -1.153503\n-0.034045 -0.038056 5.675448\nSm Ni B C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.249998 0.749998 0.500000 Ni\n0.749999 0.249999 0.500000 Ni\n0.352837 0.352837 0.705677 B\n0.647160 0.647160 0.294324 B\n0.499999 0.499999 0.000000 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
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"B",
"C"
],
"chemical_system": "B-C-Ni-Sm",
"density": 7.42805509700487,
"density_atomic": 0.08905607723682098,
"volume": 67.3732796925761,
"volume_molar": 6.762189562859048,
"formula_full": "Sm1 Ni2 B2 C1",
"formula_reduced": "SmNi2B2C",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.348526473611112,
"spacegroup": 139
},
{
"id": "jvasp-119077",
"created_at": "2022-09-04T14:38:33.846893Z",
"updated_at": "2022-09-04T14:38:33.846918Z",
"structure_string": "Sm4 Ni2 Pt2 O12\n1.0\n5.820576 0.000000 0.000000\n-0.000000 4.388425 3.068900\n0.000000 -0.014711 9.397878\nSm Ni Pt O\n4 2 2 12\ndirect\n0.422323 0.226813 0.749531 Sm\n0.577678 0.773186 0.250470 Sm\n0.922323 0.773187 0.750470 Sm\n0.077678 0.226813 0.249531 Sm\n0.000000 0.500000 0.500000 Ni\n0.500000 0.499999 0.000000 Ni\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.805142 0.260122 0.054307 O\n0.194859 0.739877 0.945693 O\n0.804107 0.870021 0.445477 O\n0.195894 0.129978 0.554524 O\n0.304107 0.129978 0.054523 O\n0.962719 0.634862 0.252592 O\n0.462719 0.365137 0.247409 O\n0.537282 0.634862 0.752592 O\n0.694859 0.260122 0.554308 O\n0.037282 0.365137 0.747409 O\n0.695894 0.870021 0.945477 O\n0.305141 0.739877 0.445693 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Pt",
"O"
],
"chemical_system": "Ni-O-Pt-Sm",
"density": 8.989647330870849,
"density_atomic": 0.08322434683923369,
"volume": 240.31429214619664,
"volume_molar": 7.236032469720794,
"formula_full": "Sm4 Ni2 Pt2 O12",
"formula_reduced": "Sm2NiPtO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.308389255,
"spacegroup": 14
}
]
}