HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4392",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4390",
"results": [
{
"id": "jvasp-112048",
"created_at": "2022-09-04T14:38:43.470790Z",
"updated_at": "2022-09-04T14:38:43.470814Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n3.655771 0.012256 0.923682\n1.620899 4.379400 1.508543\n0.272437 0.300965 7.449339\nZn H C O\n1 4 4 4\ndirect\n0.812186 0.842545 0.289317 Zn\n0.615845 -0.004359 0.847285 H\n-0.003485 0.146592 0.774280 H\n0.132077 0.556454 0.773149 H\n0.520042 0.683148 0.738804 H\n0.712566 0.221758 0.543323 C\n0.696075 0.198962 0.754027 C\n0.419083 0.485304 0.816389 C\n0.333508 0.455104 0.032522 C\n0.821728 0.958992 0.509362 O\n0.619375 0.478955 0.415337 O\n0.186292 0.716082 0.071990 O\n0.382388 0.194527 0.158902 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.5798788824648815,
"density_atomic": 0.11129150768664514,
"volume": 116.81035031534563,
"volume_molar": 5.411141321722475,
"formula_full": "Zn1 H4 C4 O4",
"formula_reduced": "ZnH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.958604953846154,
"spacegroup": 1
},
{
"id": "jvasp-112704",
"created_at": "2022-09-04T14:38:41.790951Z",
"updated_at": "2022-09-04T14:38:41.790981Z",
"structure_string": "Ba3 La1 Nb3 O12\n1.0\n5.545522 -0.005283 8.162369\n2.506570 4.946710 8.162369\n-0.008609 -0.005283 9.867979\nBa La Nb O\n3 1 3 12\ndirect\n0.710453 0.710455 0.710454 Ba\n0.288681 0.288681 0.288681 Ba\n0.131730 0.131731 0.131730 Ba\n0.855875 0.855877 0.855876 La\n0.575057 0.575058 0.575058 Nb\n0.424467 0.424468 0.424468 Nb\n0.999194 0.999196 0.999195 Nb\n0.626310 0.123136 0.626311 O\n0.877062 0.377207 0.377206 O\n0.377206 0.377207 0.877062 O\n0.377206 0.877063 0.377206 O\n0.289069 0.794760 0.794759 O\n0.711106 0.208807 0.208807 O\n0.794758 0.289071 0.794759 O\n0.626310 0.626311 0.123135 O\n0.208806 0.208807 0.711106 O\n0.208807 0.711106 0.208807 O\n0.794759 0.794760 0.289070 O\n0.123134 0.626311 0.626311 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Ba",
"La",
"Nb",
"O"
],
"chemical_system": "Ba-La-Nb-O",
"density": 6.252664791661667,
"density_atomic": 0.07003085711110384,
"volume": 271.3089741263131,
"volume_molar": 8.599267534946609,
"formula_full": "Ba3 La1 Nb3 O12",
"formula_reduced": "Ba3LaNb3O12",
"formula_anonymous": "AB3C3D12",
"energy_above_hull": 2.9248117426315785,
"spacegroup": 160
},
{
"id": "jvasp-112017",
"created_at": "2022-09-04T14:38:43.353058Z",
"updated_at": "2022-09-04T14:38:43.353084Z",
"structure_string": "H7 C11 S2 N1\n1.0\n3.962782 -0.097184 0.595047\n1.653581 5.569864 0.708731\n0.117664 -0.096598 10.245599\nH C S N\n7 11 2 1\ndirect\n0.789329 0.980492 0.448357 H\n0.742936 0.643008 0.825386 H\n0.960665 0.685343 0.571776 H\n0.700497 0.779752 0.214603 H\n0.398505 0.744452 0.440338 H\n0.093479 0.016193 0.222610 H\n0.039325 0.120693 0.014752 H\n0.939279 0.177877 0.268883 C\n0.768529 0.157138 0.398030 C\n0.078375 0.444242 0.062434 C\n0.917289 0.402998 0.200331 C\n0.563680 0.358671 0.462496 C\n0.160151 0.320674 0.838637 C\n0.545985 0.583440 0.392672 C\n0.370579 0.358595 0.595860 C\n0.966629 0.520199 0.774386 C\n0.085600 0.541548 0.638760 C\n0.718921 0.604773 0.266189 C\n0.203931 0.694980 0.013804 S\n0.487986 0.151924 0.728585 S\n0.113493 0.272411 0.977526 N\n",
"nsites": 21,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.5856935247391393,
"density_atomic": 0.09228046583111044,
"volume": 227.56712171819453,
"volume_molar": 6.525910663500097,
"formula_full": "H7 C11 S2 N1",
"formula_reduced": "H7C11S2N",
"formula_anonymous": "AB2C7D11",
"energy_above_hull": 5.636441583333334,
"spacegroup": 1
},
{
"id": "jvasp-110503",
"created_at": "2022-09-04T14:38:38.937518Z",
"updated_at": "2022-09-04T14:38:38.937545Z",
"structure_string": "Ba2 In1 Os1 O6\n1.0\n5.090564 -0.000000 2.939039\n1.696855 4.799430 2.939039\n-0.000000 -0.000000 5.878077\nBa In Os O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750001 Ba\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Os\n0.760242 0.239758 0.239759 O\n0.239759 0.760242 0.760242 O\n0.239759 0.760242 0.239758 O\n0.760242 0.239758 0.760243 O\n0.239758 0.239758 0.760242 O\n0.760242 0.760242 0.239758 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"In",
"Os",
"O"
],
"chemical_system": "Ba-In-O-Os",
"density": 7.812879991692095,
"density_atomic": 0.06963204747446049,
"volume": 143.6120344395701,
"volume_molar": 8.64851886225059,
"formula_full": "Ba2 In1 Os1 O6",
"formula_reduced": "Ba2InOsO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.116674791,
"spacegroup": 225
},
{
"id": "jvasp-116538",
"created_at": "2022-09-04T14:38:43.167620Z",
"updated_at": "2022-09-04T14:38:43.167640Z",
"structure_string": "Mn4 V4 Ga4 Co4\n1.0\n5.733132 -0.000000 0.000000\n0.000000 5.733132 0.000000\n0.000000 -0.000000 5.733132\nMn V Ga Co\n4 4 4 4\ndirect\n0.500000 0.500000 -0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.257682 0.257682 0.257682 V\n0.742317 0.742317 0.257682 V\n0.257682 0.742317 0.742317 V\n0.742317 0.257682 0.742317 V\n0.754085 0.754085 0.754085 Ga\n0.245914 0.245914 0.754085 Ga\n0.245914 0.754085 0.245914 Ga\n0.754085 0.245914 0.245914 Ga\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 -0.000000 Co\n-0.000000 0.500000 -0.000000 Co\n0.000000 0.000000 0.500000 Co\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Mn",
"V",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Mn-V",
"density": 8.266892647957727,
"density_atomic": 0.08490712961873526,
"volume": 188.4411835831217,
"volume_molar": 7.092620828241001,
"formula_full": "Mn4 V4 Ga4 Co4",
"formula_reduced": "MnVGaCo",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.7775836665948272,
"spacegroup": 215
},
{
"id": "jvasp-116546",
"created_at": "2022-09-04T14:38:43.456295Z",
"updated_at": "2022-09-04T14:38:43.456319Z",
"structure_string": "Sr6 Zn2 Co2 O12\n1.0\n6.594155 0.017415 -0.293067\n-0.307152 6.587021 -0.293067\n0.016578 0.017415 6.600645\nSr Zn Co O\n6 2 2 12\ndirect\n0.884659 0.615341 0.249999 Sr\n0.250001 0.884657 0.615341 Sr\n0.615343 0.249999 0.884657 Sr\n0.750001 0.115341 0.384657 Sr\n0.384658 0.750000 0.115342 Sr\n0.115343 0.384657 0.749999 Sr\n0.250000 0.250000 0.250000 Zn\n0.750001 0.749999 0.749999 Zn\n0.500001 0.499999 0.499999 Co\n0.000000 0.000000 0.000000 Co\n0.087505 0.958431 0.276401 O\n0.458432 0.587504 0.776401 O\n0.587506 0.776401 0.458431 O\n0.776403 0.458431 0.587504 O\n0.041569 0.723597 0.912494 O\n0.223598 0.541568 0.412494 O\n0.912496 0.041567 0.723597 O\n0.541569 0.412495 0.223597 O\n0.412496 0.223597 0.541568 O\n0.276403 0.087504 0.958431 O\n0.723599 0.912494 0.041568 O\n0.958432 0.276401 0.087504 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"Zn",
"Co",
"O"
],
"chemical_system": "Co-O-Sr-Zn",
"density": 5.595192362963446,
"density_atomic": 0.07670663777645273,
"volume": 286.8069913859987,
"volume_molar": 7.850873059448144,
"formula_full": "Sr6 Zn2 Co2 O12",
"formula_reduced": "Sr3ZnCoO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.3790292027272726,
"spacegroup": 167
},
{
"id": "jvasp-55805",
"created_at": "2022-09-04T14:38:34.560258Z",
"updated_at": "2022-09-04T14:38:34.560284Z",
"structure_string": "Li4 Mn4 As4 O16\n1.0\n4.955989 0.000000 0.000000\n0.000000 6.166788 0.000000\n0.000000 0.000000 10.747710\nLi Mn As O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.014795 0.750000 0.276316 Mn\n0.985205 0.250000 0.723684 Mn\n0.485205 0.750000 0.776316 Mn\n0.514796 0.250000 0.223684 Mn\n0.570565 0.750000 0.089651 As\n0.929436 0.750000 0.589651 As\n0.429435 0.250000 0.910349 As\n0.070565 0.250000 0.410349 As\n0.282767 0.250000 0.056276 O\n0.717233 0.750000 0.943724 O\n0.274322 0.750000 0.592576 O\n0.724182 0.967626 0.164881 O\n0.725679 0.250000 0.407424 O\n0.225679 0.750000 0.092576 O\n0.224182 0.032374 0.335119 O\n0.224182 0.467626 0.335119 O\n0.775819 0.532374 0.664881 O\n0.275819 0.032374 0.835119 O\n0.775819 0.967626 0.664881 O\n0.724182 0.532374 0.164881 O\n0.217233 0.250000 0.556276 O\n0.774322 0.250000 0.907424 O\n0.275819 0.467626 0.835119 O\n0.782767 0.750000 0.443724 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"As",
"O"
],
"chemical_system": "As-Li-Mn-O",
"density": 4.060352228631989,
"density_atomic": 0.08524182502250527,
"volume": 328.47724685161927,
"volume_molar": 7.064772203563279,
"formula_full": "Li4 Mn4 As4 O16",
"formula_reduced": "LiMnAsO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.5176147130541877,
"spacegroup": 62
},
{
"id": "jvasp-112031",
"created_at": "2022-09-04T14:38:43.466327Z",
"updated_at": "2022-09-04T14:38:43.466353Z",
"structure_string": "H6 C13 S3 O1\n1.0\n3.574016 0.191502 1.235230\n1.101883 5.768145 1.206630\n0.678452 0.391818 12.847676\nH C S O\n6 13 3 1\ndirect\n0.450648 0.132065 0.138072 H\n0.400996 0.089082 0.783358 H\n0.893187 0.901615 0.632648 H\n0.394962 0.126090 0.980472 H\n0.454463 0.094662 0.343078 H\n0.898277 0.901858 0.430156 H\n0.078516 0.622575 0.042393 C\n0.134667 0.523294 0.645195 C\n0.139315 0.523358 0.448862 C\n0.171157 0.469487 0.755922 C\n0.166989 0.505947 0.145571 C\n0.180190 0.469714 0.341549 C\n0.995521 0.744014 0.483636 C\n0.992835 0.743922 0.592675 C\n0.331247 0.278773 0.186189 C\n0.306426 0.256003 0.815601 C\n0.336105 0.258376 0.297093 C\n0.298997 0.276158 0.923276 C\n0.154592 0.505639 0.947027 C\n0.270975 0.313708 0.555719 S\n0.030140 0.696850 0.834796 S\n0.025735 0.694516 0.244632 S\n0.923163 0.840083 0.035667 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.7775745696963254,
"density_atomic": 0.08973302549058665,
"volume": 256.3158867569086,
"volume_molar": 6.711175430757927,
"formula_full": "H6 C13 S3 O1",
"formula_reduced": "H6C13S3O",
"formula_anonymous": "AB3C6D13",
"energy_above_hull": 5.644565804347826,
"spacegroup": 1
},
{
"id": "jvasp-112372",
"created_at": "2022-09-04T14:38:39.819363Z",
"updated_at": "2022-09-04T14:38:39.819382Z",
"structure_string": "Cu3 Ag3 P2 S8\n1.0\n6.310778 0.021687 0.030379\n0.031911 6.410882 0.046539\n0.016981 0.018002 7.720680\nCu Ag P S\n3 3 2 8\ndirect\n0.509241 0.681977 0.748974 Cu\n0.502968 0.701092 0.254774 Cu\n0.016563 0.325452 0.751546 Cu\n0.023803 0.310646 0.242925 Ag\n0.011265 0.842525 0.501367 Ag\n0.494419 0.137038 0.996406 Ag\n0.506737 0.187857 0.505361 P\n0.993422 0.813729 0.995622 P\n0.409454 0.871894 0.504701 S\n0.898388 0.124185 0.980170 S\n0.833719 0.203291 0.517474 S\n0.326908 0.775042 0.999465 S\n0.873055 0.655937 0.779329 S\n0.866449 0.682682 0.220997 S\n0.376043 0.342666 0.721882 S\n0.413567 0.343985 0.279008 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cu",
"Ag",
"P",
"S"
],
"chemical_system": "Ag-Cu-P-S",
"density": 4.4269644450848675,
"density_atomic": 0.05122513060649071,
"volume": 312.3466901999982,
"volume_molar": 11.756223339403135,
"formula_full": "Cu3 Ag3 P2 S8",
"formula_reduced": "Cu3Ag3(PS4)2",
"formula_anonymous": "A2B3C3D8",
"energy_above_hull": 1.467070258125,
"spacegroup": 1
},
{
"id": "jvasp-113060",
"created_at": "2022-09-04T14:38:46.403517Z",
"updated_at": "2022-09-04T14:38:46.403541Z",
"structure_string": "Sn3 Sb1 Se2 I5\n1.0\n7.333296 0.007292 1.124252\n6.070802 4.113715 1.124252\n0.111523 0.034287 12.812195\nSn Sb Se I\n3 1 2 5\ndirect\n0.624431 0.624429 0.477093 Sn\n0.369694 0.369693 0.532041 Sn\n0.639597 0.639596 0.829573 Sn\n0.361574 0.361573 0.186507 Sb\n0.752871 0.752869 0.615928 Se\n0.245955 0.245954 0.381224 Se\n0.720156 0.720154 0.138917 I\n0.289042 0.289043 0.858403 I\n0.972780 0.972777 0.309479 I\n0.025637 0.025638 0.667520 I\n0.998269 0.998266 0.003312 I\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Sn",
"Sb",
"Se",
"I"
],
"chemical_system": "I-Sb-Se-Sn",
"density": 5.4737110175567745,
"density_atomic": 0.028543557174269645,
"volume": 385.37593379972486,
"volume_molar": 21.098073807803498,
"formula_full": "Sn3 Sb1 Se2 I5",
"formula_reduced": "Sn3SbSe2I5",
"formula_anonymous": "AB2C3D5",
"energy_above_hull": 0.4059335734848486,
"spacegroup": 8
},
{
"id": "jvasp-103397",
"created_at": "2022-09-04T14:38:39.807912Z",
"updated_at": "2022-09-04T14:38:39.807934Z",
"structure_string": "Y1 Mg1 Co2 Ni2\n1.0\n4.311144 0.054279 -2.460965\n-1.384512 4.003955 -2.587804\n0.007039 -0.054279 4.964097\nY Mg Co Ni\n1 1 2 2\ndirect\n0.998914 0.998916 0.000002 Y\n0.255172 0.755172 0.500002 Mg\n0.623471 0.873322 0.249852 Co\n0.623471 0.373621 0.750151 Co\n0.128213 0.374487 0.753728 Ni\n0.620760 0.374487 0.246275 Ni\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Y",
"Mg",
"Co",
"Ni"
],
"chemical_system": "Co-Mg-Ni-Y",
"density": 6.780440817771908,
"density_atomic": 0.07030757440609864,
"volume": 85.33931159883034,
"volume_molar": 8.565422446827617,
"formula_full": "Y1 Mg1 Co2 Ni2",
"formula_reduced": "YMg(CoNi)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.9293418500000004,
"spacegroup": 44
},
{
"id": "jvasp-112160",
"created_at": "2022-09-04T14:38:43.707408Z",
"updated_at": "2022-09-04T14:38:43.707432Z",
"structure_string": "Hf1 H8 C6 O4\n1.0\n3.785697 -0.145322 -0.525944\n-1.443890 4.375311 -0.749995\n-0.856865 0.269221 9.764484\nHf H C O\n1 8 6 4\ndirect\n0.704136 0.815390 0.686867 Hf\n0.175984 0.364388 0.074008 H\n0.514454 0.187042 0.094061 H\n0.720758 0.890896 0.140179 H\n0.051868 0.704968 0.166242 H\n0.483132 0.207459 0.326333 H\n-0.009255 0.337515 0.373409 H\n0.000395 0.887542 0.397813 H\n0.498754 0.744593 0.343258 H\n0.471058 0.399254 0.068929 C\n0.763823 0.685082 0.174306 C\n0.751123 0.693506 0.329872 C\n0.745029 0.426340 0.543040 C\n0.744512 0.401305 0.386744 C\n0.467551 0.395310 0.914346 C\n0.681749 0.634009 0.880439 O\n0.681218 0.139321 0.581134 O\n0.111198 0.644416 0.636749 O\n0.259891 0.148386 0.824277 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Hf",
"H",
"C",
"O"
],
"chemical_system": "C-H-Hf-O",
"density": 3.377993559658202,
"density_atomic": 0.11980593528033272,
"volume": 158.58980571824,
"volume_molar": 5.026579648085759,
"formula_full": "Hf1 H8 C6 O4",
"formula_reduced": "HfH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.733470368421053,
"spacegroup": 1
}
]
}