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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=4445",
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"results": [
{
"id": "jvasp-21370",
"created_at": "2022-09-04T14:37:50.218487Z",
"updated_at": "2022-09-04T14:37:50.218505Z",
"structure_string": "Sr3 B3 P3 O15\n1.0\n3.441639 -5.961093 0.000000\n3.441639 5.961093 -0.000000\n0.000000 0.000000 6.857818\nSr B P O\n3 3 3 15\ndirect\n0.000000 0.605448 0.166667 Sr\n0.605448 0.000000 0.833333 Sr\n0.394552 0.394552 0.500000 Sr\n0.900748 0.900748 0.500000 B\n0.000000 0.099252 0.166667 B\n0.099252 0.000000 0.833333 B\n0.000000 0.593479 0.666667 P\n0.593479 0.000000 0.333333 P\n0.406521 0.406521 0.000000 P\n0.588239 0.450970 0.146481 O\n0.187867 0.338540 0.127597 O\n0.661460 0.849327 0.460930 O\n0.150673 0.812133 0.794264 O\n0.849327 0.661460 0.539070 O\n0.812133 0.150673 0.205737 O\n0.044044 0.000000 0.333333 O\n0.137269 0.549030 0.520185 O\n0.411762 0.862731 0.186852 O\n0.450970 0.588239 0.853519 O\n0.549030 0.137269 0.479815 O\n0.955956 0.955956 0.000000 O\n0.000000 0.044044 0.666667 O\n0.338540 0.187867 0.872403 O\n0.862731 0.411762 0.813148 O\n",
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"volume": 281.3890301583976,
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"formula_full": "Sr3 B3 P3 O15",
"formula_reduced": "SrBPO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 152
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{
"id": "jvasp-34597",
"created_at": "2022-09-04T14:37:11.768161Z",
"updated_at": "2022-09-04T14:37:11.768171Z",
"structure_string": "Sr4 Be4 B4 O14\n1.0\n2.358381 -4.084836 0.000000\n2.358381 4.084836 -0.000000\n0.000000 0.000000 15.495386\nSr Be B O\n4 4 4 14\ndirect\n0.000000 0.000000 0.250000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.750000 Sr\n0.333333 0.666667 0.602045 Be\n0.333333 0.666667 0.397955 Be\n0.333333 0.666667 0.102045 Be\n0.333333 0.666667 0.897955 Be\n0.666667 0.333333 0.635758 B\n0.666667 0.333333 0.864243 B\n0.666667 0.333333 0.135758 B\n0.666667 0.333333 0.364242 B\n0.392236 0.025002 0.863229 O\n0.974998 0.607763 0.136771 O\n0.392236 0.367234 0.136771 O\n0.333333 0.666667 0.500000 O\n0.632766 0.025002 0.363229 O\n0.632766 0.025002 0.136771 O\n0.974998 0.367233 0.636771 O\n0.392236 0.367234 0.363229 O\n0.974998 0.607763 0.363229 O\n0.632766 0.607764 0.636771 O\n0.392236 0.025002 0.636771 O\n0.974998 0.367233 0.863229 O\n0.632766 0.607764 0.863229 O\n0.333333 0.666667 0.000000 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
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],
"chemical_system": "B-Be-O-Sr",
"density": 3.63621312666643,
"density_atomic": 0.08708680561912234,
"volume": 298.5526890687902,
"volume_molar": 6.91510122249526,
"formula_full": "Sr4 Be4 B4 O14",
"formula_reduced": "Sr2Be2B2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 2.449089575897436,
"spacegroup": 188
},
{
"id": "jvasp-24301",
"created_at": "2022-09-04T14:38:28.922773Z",
"updated_at": "2022-09-04T14:38:28.922804Z",
"structure_string": "Sr2 Bi4 B8 O20\n1.0\n6.833038 -0.070467 -0.020554\n-1.482924 6.632921 -0.052633\n-3.213245 -1.697588 9.218609\nSr Bi B O\n2 4 8 20\ndirect\n0.035620 0.842190 0.167529 Sr\n0.964381 0.157810 0.832472 Sr\n0.727121 0.632552 0.666709 Bi\n0.272879 0.367447 0.333292 Bi\n0.701278 0.028985 0.403532 Bi\n0.298722 0.971015 0.596469 Bi\n0.590916 0.264007 0.903575 B\n0.799735 0.287800 0.171277 B\n0.409085 0.735992 0.096426 B\n0.200265 0.712199 0.828724 B\n0.844958 0.595787 0.368950 B\n0.602591 0.791680 0.930299 B\n0.397409 0.208320 0.069702 B\n0.155043 0.404213 0.631051 B\n0.885845 0.506609 0.249741 O\n0.924290 0.808578 0.402571 O\n0.062198 0.829979 0.753160 O\n0.261877 0.516243 0.556200 O\n0.114155 0.493390 0.750259 O\n0.788801 0.818893 0.906443 O\n0.582785 0.246969 0.763782 O\n0.937802 0.170020 0.246841 O\n0.738123 0.483757 0.443801 O\n0.598307 0.752153 0.065747 O\n0.783613 0.288090 0.016291 O\n0.211200 0.181107 0.093558 O\n0.358056 0.100818 0.408899 O\n0.582815 0.198213 0.173264 O\n0.417186 0.801786 0.826737 O\n0.417216 0.753031 0.236219 O\n0.641944 0.899181 0.591101 O\n0.075711 0.191421 0.597430 O\n0.216387 0.711909 0.983710 O\n0.401693 0.247847 0.934254 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
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"B",
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],
"chemical_system": "B-Bi-O-Sr",
"density": 5.662302708858507,
"density_atomic": 0.08178199099042041,
"volume": 415.7394505592633,
"volume_molar": 7.363651443391013,
"formula_full": "Sr2 Bi4 B8 O20",
"formula_reduced": "SrBi2(B2O5)2",
"formula_anonymous": "AB2C4D10",
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"spacegroup": 2
},
{
"id": "jvasp-26404",
"created_at": "2022-09-04T14:37:41.146082Z",
"updated_at": "2022-09-04T14:37:41.146102Z",
"structure_string": "Sr2 Bi2 Br2 O4\n1.0\n0.000000 5.821195 0.000064\n5.724296 0.000000 0.000000\n0.000000 -2.910537 -6.413681\nSr Bi Br O\n2 2 2 4\ndirect\n0.603686 0.750001 0.207356 Sr\n0.396315 0.250000 0.792644 Sr\n0.080608 0.250000 0.161230 Bi\n0.919393 0.750001 0.838770 Bi\n0.254910 0.750001 0.509858 Br\n0.745090 0.250000 0.490142 Br\n0.764853 0.000000 0.999990 O\n0.235148 0.500001 0.000011 O\n0.235148 -0.000000 0.000011 O\n0.764853 0.500000 0.999990 O\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Bi-Br-O-Sr",
"density": 6.34797396601904,
"density_atomic": 0.046790811892529885,
"volume": 213.71717214414252,
"volume_molar": 12.870348934811773,
"formula_full": "Sr2 Bi2 Br2 O4",
"formula_reduced": "SrBiBrO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.657156343,
"spacegroup": 63
},
{
"id": "jvasp-26348",
"created_at": "2022-09-04T14:37:41.760807Z",
"updated_at": "2022-09-04T14:37:41.760837Z",
"structure_string": "Sr2 Bi2 Cl2 O4\n1.0\n5.662214 0.000005 0.000029\n-0.000008 5.227719 -2.406063\n0.000035 -0.017206 6.844751\nSr Bi Cl O\n2 2 2 4\ndirect\n0.249998 0.609980 0.219951 Sr\n0.750002 0.390021 0.780049 Sr\n0.750001 0.083830 0.167655 Bi\n0.250000 0.916171 0.832345 Bi\n0.750000 0.744804 0.489594 Cl\n0.250000 0.255196 0.510406 Cl\n0.500001 0.236275 0.000006 O\n-0.000001 0.236272 0.000001 O\n0.000001 0.763728 -0.000001 O\n0.499998 0.763726 -0.000004 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Cl",
"O"
],
"chemical_system": "Bi-Cl-O-Sr",
"density": 5.974331753439351,
"density_atomic": 0.049413609886964985,
"volume": 202.37339516127804,
"volume_molar": 12.187210717403193,
"formula_full": "Sr2 Bi2 Cl2 O4",
"formula_reduced": "SrBiClO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.6819543355,
"spacegroup": 63
},
{
"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-100806",
"created_at": "2022-09-04T14:36:42.266471Z",
"updated_at": "2022-09-04T14:36:42.266501Z",
"structure_string": "Sr4 Br1 N2 Cl1\n1.0\n3.859758 -0.006495 13.999188\n1.889078 3.365881 13.999188\n-0.011114 -0.006495 14.521531\nSr Br N Cl\n4 1 2 1\ndirect\n0.383479 0.383480 0.383478 Sr\n0.887394 0.887395 0.887390 Sr\n0.112607 0.112607 0.112607 Sr\n0.616522 0.616522 0.616519 Sr\n0.500001 0.500001 0.499998 Br\n0.748023 0.748024 0.748020 N\n0.251978 0.251978 0.251977 N\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Sr",
"Br",
"N",
"Cl"
],
"chemical_system": "Br-Cl-N-Sr",
"density": 4.326607259929073,
"density_atomic": 0.04220782316512852,
"volume": 189.53832252143914,
"volume_molar": 14.267830720479807,
"formula_full": "Sr4 Br1 N2 Cl1",
"formula_reduced": "Sr4BrN2Cl",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.9789149890624996,
"spacegroup": 166
},
{
"id": "jvasp-56861",
"created_at": "2022-09-04T14:37:57.282680Z",
"updated_at": "2022-09-04T14:37:57.282695Z",
"structure_string": "Sr2 C1 N2 Cl2\n1.0\n4.242814 0.000000 0.000000\n-2.121407 4.804322 -0.674457\n0.000000 -0.025833 7.264811\nSr C N Cl\n2 1 2 2\ndirect\n0.682537 0.365077 0.270076 Sr\n0.317462 0.634924 0.729923 Sr\n0.000000 0.000000 0.500000 C\n0.114917 0.229833 0.445517 N\n0.885082 0.770167 0.554483 N\n0.371304 0.742608 0.148939 Cl\n0.628695 0.257392 0.851061 Cl\n",
"nsites": 7,
"nelements": 4,
"elements": [
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"C",
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],
"chemical_system": "C-Cl-N-Sr",
"density": 3.2105525649983444,
"density_atomic": 0.04729382849339063,
"volume": 148.01085517909084,
"volume_molar": 12.733460055663713,
"formula_full": "Sr2 C1 N2 Cl2",
"formula_reduced": "Sr2C(NCl)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 2.266523893571428,
"spacegroup": 12
},
{
"id": "jvasp-95288",
"created_at": "2022-09-04T14:36:09.874438Z",
"updated_at": "2022-09-04T14:36:09.874456Z",
"structure_string": "Sr2 C4 S4 N4\n1.0\n5.960303 0.032115 0.123000\n2.275318 5.509007 0.123000\n0.016821 0.011317 8.040539\nSr C S N\n2 4 4 4\ndirect\n0.907904 0.092096 0.750000 Sr\n0.092096 0.907904 0.250000 Sr\n0.753255 0.486482 0.101618 C\n0.486482 0.753255 0.601618 C\n0.246745 0.513519 0.898382 C\n0.513518 0.246745 0.398382 C\n0.353645 0.237677 0.829604 S\n0.762323 0.646354 0.670396 S\n0.646354 0.762323 0.170396 S\n0.237677 0.353646 0.329604 S\n0.835356 0.283765 0.052642 N\n0.283765 0.835357 0.552642 N\n0.716235 0.164643 0.447358 N\n0.164643 0.716236 0.947358 N\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"C",
"S",
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],
"chemical_system": "C-N-S-Sr",
"density": 2.5693232751906376,
"density_atomic": 0.05314909894429084,
"volume": 263.4099218629152,
"volume_molar": 11.330654478850548,
"formula_full": "Sr2 C4 S4 N4",
"formula_reduced": "SrC2(SN)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 4.091606115714286,
"spacegroup": 15
},
{
"id": "jvasp-102680",
"created_at": "2022-09-04T14:36:53.053473Z",
"updated_at": "2022-09-04T14:36:53.053490Z",
"structure_string": "Sr1 Ca3 Br2 N2\n1.0\n3.753548 0.000000 0.000000\n-0.000000 6.214011 1.921543\n-0.000000 0.011609 7.333546\nSr Ca Br N\n1 3 2 2\ndirect\n0.500000 0.270969 0.688360 Sr\n0.000000 0.775716 0.666245 Ca\n0.500000 0.725781 0.321076 Ca\n0.000000 0.226593 0.321273 Ca\n0.000000 0.990341 0.012396 Br\n0.500000 0.506135 0.003921 Br\n0.000000 0.508249 0.492159 N\n0.500000 0.996217 0.494570 N\n",
"nsites": 8,
"nelements": 4,
"elements": [
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"Ca",
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],
"chemical_system": "Br-Ca-N-Sr",
"density": 3.8430211769248643,
"density_atomic": 0.04679232417097489,
"volume": 170.96821202487675,
"volume_molar": 12.869932978741653,
"formula_full": "Sr1 Ca3 Br2 N2",
"formula_reduced": "SrCa3(BrN)2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 1.003379035,
"spacegroup": 6
},
{
"id": "jvasp-57518",
"created_at": "2022-09-04T14:37:28.803373Z",
"updated_at": "2022-09-04T14:37:28.803389Z",
"structure_string": "Sr2 Ca2 C4 O12\n1.0\n5.290251 0.000000 0.000000\n0.000000 6.432407 0.000000\n0.000000 0.000000 7.315047\nSr Ca C O\n2 2 4 12\ndirect\n0.000000 0.112407 0.255679 Sr\n0.000000 0.887594 0.755680 Sr\n0.500000 0.482120 0.549420 Ca\n0.500000 0.517880 0.049420 Ca\n0.500000 0.962269 0.076696 C\n0.500000 0.037731 0.576696 C\n0.000000 0.587619 0.338053 C\n0.000000 0.412381 0.838053 C\n0.000000 0.241114 0.924481 O\n0.210757 0.506912 0.795769 O\n0.500000 0.151979 0.134371 O\n0.711475 0.137319 0.551882 O\n0.711475 0.862681 0.051882 O\n0.288524 0.862681 0.051882 O\n0.210757 0.493088 0.295768 O\n0.789242 0.506912 0.795769 O\n0.500000 0.848021 0.634371 O\n0.789242 0.493088 0.295768 O\n0.000000 0.758886 0.424480 O\n0.288524 0.137319 0.551882 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"C",
"O"
],
"chemical_system": "C-Ca-O-Sr",
"density": 3.304957555880137,
"density_atomic": 0.0803457817959685,
"volume": 248.92408229704395,
"volume_molar": 7.495279310733113,
"formula_full": "Sr2 Ca2 C4 O12",
"formula_reduced": "SrCa(CO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.816367773,
"spacegroup": 26
},
{
"id": "jvasp-109146",
"created_at": "2022-09-04T14:38:26.972545Z",
"updated_at": "2022-09-04T14:38:26.972575Z",
"structure_string": "Sr1 Ca1 Cr2 O6\n1.0\n5.377570 -0.000000 0.000000\n0.000000 5.377570 0.000000\n-0.000000 -0.000000 3.791650\nSr Ca Cr O\n1 1 2 6\ndirect\n0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 -0.000000 Cr\n-0.000000 0.500000 -0.000000 Cr\n0.253318 0.253318 -0.000000 O\n0.746682 0.746682 -0.000000 O\n0.253318 0.746682 -0.000000 O\n0.746682 0.253318 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Ca",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-O-Sr",
"density": 4.962578543383659,
"density_atomic": 0.09120100282141502,
"volume": 109.64791713509412,
"volume_molar": 6.603151910283526,
"formula_full": "Sr1 Ca1 Cr2 O6",
"formula_reduced": "SrCaCr2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.497301253,
"spacegroup": 123
}
]
}