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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=113",
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"results": [
{
"id": "jvasp-29499",
"created_at": "2022-09-04T14:37:53.446089Z",
"updated_at": "2022-09-04T14:37:53.446106Z",
"structure_string": "Cd2 Bi2 S4 Br2\n1.0\n4.058357 -0.000000 0.000000\n-2.029178 6.541732 -0.148550\n0.000000 -0.041374 9.562708\nCd Bi S Br\n2 2 4 2\ndirect\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.279031 0.558062 0.698607 Bi\n0.720970 0.441939 0.301394 Bi\n0.355630 0.711259 0.444774 S\n0.918481 0.836962 0.745438 S\n0.644371 0.288742 0.555227 S\n0.081519 0.163038 0.254562 S\n0.359340 0.718679 0.071206 Br\n0.640661 0.281321 0.928794 Br\n",
"nsites": 10,
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"elements": [
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],
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"density_atomic": 0.03939297499431948,
"volume": 253.8523683840079,
"volume_molar": 15.287346946678692,
"formula_full": "Cd2 Bi2 S4 Br2",
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"spacegroup": 12
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{
"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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"density_atomic": 0.046790811892529885,
"volume": 213.71717214414252,
"volume_molar": 12.870348934811773,
"formula_full": "Sr2 Bi2 Br2 O4",
"formula_reduced": "SrBiBrO2",
"formula_anonymous": "ABCD2",
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"spacegroup": 63
},
{
"id": "jvasp-109098",
"created_at": "2022-09-04T14:37:50.613304Z",
"updated_at": "2022-09-04T14:37:50.613323Z",
"structure_string": "U2 Si2 Os4 C2\n1.0\n6.022476 -0.005150 0.000000\n-4.784291 3.657978 0.000000\n0.000000 0.000000 6.982984\nU Si Os C\n2 2 4 2\ndirect\n0.553680 0.446321 0.250000 U\n0.446322 0.553679 0.750000 U\n0.274659 0.725342 0.250000 Si\n0.725342 0.274659 0.750000 Si\n0.835923 0.164078 0.051638 Os\n0.164078 0.835923 0.948361 Os\n0.164078 0.835923 0.551638 Os\n0.835923 0.164078 0.448362 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"elements": [
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"Si",
"Os",
"C"
],
"chemical_system": "C-Os-Si-U",
"density": 14.233764829417366,
"density_atomic": 0.06507718901897963,
"volume": 153.66367464156326,
"volume_molar": 9.253842783903366,
"formula_full": "U2 Si2 Os4 C2",
"formula_reduced": "USiOs2C",
"formula_anonymous": "ABCD2",
"energy_above_hull": 5.704822920000002,
"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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"Bi",
"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-109101",
"created_at": "2022-09-04T14:37:50.884005Z",
"updated_at": "2022-09-04T14:37:50.884027Z",
"structure_string": "Ho2 Mn4 Si2 C2\n1.0\n5.578188 0.000934 0.000000\n-4.360960 3.478248 0.000000\n-0.000000 -0.000000 6.952551\nHo Mn Si C\n2 4 2 2\ndirect\n0.543592 0.456408 0.250000 Ho\n0.456408 0.543592 0.750000 Ho\n0.831620 0.168379 0.061560 Mn\n0.168380 0.831621 0.938440 Mn\n0.168380 0.831621 0.561559 Mn\n0.831620 0.168379 0.438440 Mn\n0.264698 0.735302 0.250000 Si\n0.735302 0.264697 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-Ho-Mn-Si",
"density": 7.7511531310357125,
"density_atomic": 0.07411582778488701,
"volume": 134.9239467313769,
"volume_molar": 8.125309991110937,
"formula_full": "Ho2 Mn4 Si2 C2",
"formula_reduced": "HoMn2SiC",
"formula_anonymous": "ABCD2",
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"spacegroup": 63
},
{
"id": "jvasp-56302",
"created_at": "2022-09-04T14:37:52.867138Z",
"updated_at": "2022-09-04T14:37:52.867171Z",
"structure_string": "Th2 Fe4 Si2 C2\n1.0\n3.896688 -0.000000 0.000000\n-1.948345 5.371637 -0.000000\n0.000000 -0.000000 6.815808\nTh Fe Si C\n2 4 2 2\ndirect\n0.941126 0.882250 0.250000 Th\n0.058876 0.117751 0.750000 Th\n0.663229 0.326457 0.060373 Fe\n0.663229 0.326457 0.439627 Fe\n0.336773 0.673544 0.939627 Fe\n0.336773 0.673544 0.560373 Fe\n0.223813 0.447625 0.250000 Si\n0.776189 0.552376 0.750000 Si\n0.500000 0.000000 0.500000 C\n0.500000 0.000000 0.000000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Fe",
"Si",
"C"
],
"chemical_system": "C-Fe-Si-Th",
"density": 8.934944841167635,
"density_atomic": 0.07009392206597631,
"volume": 142.66572200921274,
"volume_molar": 8.591530595665091,
"formula_full": "Th2 Fe4 Si2 C2",
"formula_reduced": "ThFe2SiC",
"formula_anonymous": "ABCD2",
"energy_above_hull": 4.02640904,
"spacegroup": 63
},
{
"id": "jvasp-26417",
"created_at": "2022-09-04T14:37:51.007937Z",
"updated_at": "2022-09-04T14:37:51.007964Z",
"structure_string": "Ca2 Bi2 Cl2 O4\n1.0\n0.000000 6.392876 0.029951\n4.150602 0.000000 0.000000\n0.000000 -1.994633 -7.526254\nCa Bi Cl O\n2 2 2 4\ndirect\n0.671352 0.250000 0.920514 Ca\n0.328649 0.750000 0.079485 Ca\n0.682301 0.250000 0.408873 Bi\n0.317700 0.750000 0.591127 Bi\n0.055989 0.250000 0.813250 Cl\n0.944012 0.750000 0.186750 Cl\n0.529189 0.750000 0.401127 O\n0.470812 0.250000 0.598872 O\n0.511685 0.750000 0.857571 O\n0.488316 0.250000 0.142428 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ca",
"Bi",
"Cl",
"O"
],
"chemical_system": "Bi-Ca-Cl-O",
"density": 5.270115551016112,
"density_atomic": 0.050136421639257994,
"volume": 199.4557982608349,
"volume_molar": 12.01150892524911,
"formula_full": "Ca2 Bi2 Cl2 O4",
"formula_reduced": "CaBiClO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.7079751575000001,
"spacegroup": 11
},
{
"id": "jvasp-102626",
"created_at": "2022-09-04T14:36:54.521044Z",
"updated_at": "2022-09-04T14:36:54.521074Z",
"structure_string": "Er2 Fe4 Si2 C2\n1.0\n5.527967 0.000420 0.000000\n-4.288465 3.488192 0.000000\n-0.000000 -0.000000 6.700038\nEr Fe Si C\n2 4 2 2\ndirect\n0.549910 0.450089 0.250000 Er\n0.450089 0.549910 0.750000 Er\n0.834852 0.165149 0.061611 Fe\n0.165148 0.834851 0.938389 Fe\n0.165148 0.834851 0.561611 Fe\n0.834852 0.165149 0.438389 Fe\n0.269989 0.730010 0.250000 Si\n0.730011 0.269989 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Er",
"Fe",
"Si",
"C"
],
"chemical_system": "C-Er-Fe-Si",
"density": 8.200638240851031,
"density_atomic": 0.07739561326312108,
"volume": 129.20628932809282,
"volume_molar": 7.780984614110608,
"formula_full": "Er2 Fe4 Si2 C2",
"formula_reduced": "ErFe2SiC",
"formula_anonymous": "ABCD2",
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"spacegroup": 63
},
{
"id": "jvasp-102670",
"created_at": "2022-09-04T14:36:53.653048Z",
"updated_at": "2022-09-04T14:36:53.653070Z",
"structure_string": "Tb1 Si2 Ir1 Rh1\n1.0\n3.815231 -0.002402 -4.321527\n-0.547674 3.775718 -4.321527\n0.002080 0.002402 5.764684\nTb Si Ir Rh\n1 2 1 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.621356 0.621356 0.000000 Si\n0.378645 0.378645 0.000000 Si\n0.250001 0.750000 0.500000 Ir\n0.750000 0.250000 0.499999 Rh\n",
"nsites": 5,
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"elements": [
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],
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"volume": 83.11330102123658,
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"formula_full": "Tb1 Si2 Ir1 Rh1",
"formula_reduced": "TbSi2IrRh",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.02797594,
"spacegroup": 119
},
{
"id": "jvasp-105529",
"created_at": "2022-09-04T14:36:49.796391Z",
"updated_at": "2022-09-04T14:36:49.796402Z",
"structure_string": "Ce1 Zn1 Ag1 As2\n1.0\n4.335312 0.000000 0.000000\n-2.167656 3.754490 0.000000\n-0.000000 0.000000 6.913921\nCe Zn Ag As\n1 1 1 2\ndirect\n0.333333 0.666667 0.990086 Ce\n0.000000 0.000000 0.373569 Zn\n0.666666 0.333333 0.637708 Ag\n0.666666 0.333333 0.243298 As\n0.000000 0.000000 0.755341 As\n",
"nsites": 5,
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],
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"density": 6.835275954625027,
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"volume": 112.5371008248258,
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"formula_full": "Ce1 Zn1 Ag1 As2",
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"spacegroup": 156
},
{
"id": "jvasp-107569",
"created_at": "2022-09-04T14:36:53.711611Z",
"updated_at": "2022-09-04T14:36:53.711628Z",
"structure_string": "Ce1 Zn1 Ag1 P2\n1.0\n4.179698 0.000000 0.000000\n-2.089848 3.619725 0.000000\n0.000000 0.000000 6.763432\nCe Zn Ag P\n1 1 1 2\ndirect\n0.333334 0.666668 0.008829 Ce\n0.666667 0.333334 0.627589 Zn\n0.000000 0.000000 0.364155 Ag\n0.000000 0.000000 0.752884 P\n0.666667 0.333334 0.246543 P\n",
"nsites": 5,
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],
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"density_atomic": 0.048863255202293426,
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"formula_full": "Ce1 Zn1 Ag1 P2",
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"spacegroup": 156
},
{
"id": "jvasp-102686",
"created_at": "2022-09-04T14:36:54.444822Z",
"updated_at": "2022-09-04T14:36:54.444842Z",
"structure_string": "Sb1 Pb1 I1 O2\n1.0\n3.836883 0.008946 -6.382962\n-0.287660 3.826095 -6.382962\n-0.008280 -0.008946 7.447403\nSb Pb I O\n1 1 1 2\ndirect\n0.323081 0.323082 0.000001 Sb\n0.648086 0.648088 0.000001 Pb\n0.993841 0.993844 0.000002 I\n0.753895 0.253896 0.500000 O\n0.253895 0.753896 0.500000 O\n",
"nsites": 5,
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],
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"formula_full": "Sb1 Pb1 I1 O2",
"formula_reduced": "SbPbIO2",
"formula_anonymous": "ABCD2",
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"spacegroup": 107
}
]
}