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=4343",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4341",
"results": [
{
"id": "jvasp-109150",
"created_at": "2022-09-04T14:37:58.399469Z",
"updated_at": "2022-09-04T14:37:58.399496Z",
"structure_string": "Rb1 Li1 Mn1 S2\n1.0\n3.757001 0.004262 -5.943106\n-0.311451 3.744071 -5.943106\n-0.003917 -0.004262 7.031042\nRb Li Mn S\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.250000 0.750000 0.499999 Li\n0.750000 0.250000 0.499999 Mn\n0.660641 0.660640 -0.000001 S\n0.339359 0.339359 -0.000001 S\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Mn",
"S"
],
"chemical_system": "Li-Mn-Rb-S",
"density": 3.557143575833016,
"density_atomic": 0.0506476709651097,
"volume": 98.72122260951373,
"volume_molar": 11.890261971075724,
"formula_full": "Rb1 Li1 Mn1 S2",
"formula_reduced": "RbLiMnS2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.4758174482758617,
"spacegroup": 119
},
{
"id": "jvasp-57368",
"created_at": "2022-09-04T14:37:44.668906Z",
"updated_at": "2022-09-04T14:37:44.668922Z",
"structure_string": "Rb2 V2 I4 O16\n1.0\n5.280945 -0.019132 0.017521\n-0.213204 7.983138 0.148368\n-0.158454 -3.077539 9.135620\nRb V I O\n2 2 4 16\ndirect\n0.265599 0.807130 0.081041 Rb\n0.734403 0.192870 0.918959 Rb\n0.764538 0.637302 0.302252 V\n0.235465 0.362698 0.697749 V\n0.682620 0.145820 0.438784 I\n0.742899 0.630691 0.767929 I\n0.257103 0.369310 0.232071 I\n0.317382 0.854180 0.561216 I\n0.921956 0.652501 0.456770 O\n0.996125 0.502824 0.830006 O\n0.485795 0.522888 0.845168 O\n0.803879 0.827634 0.267399 O\n0.570132 0.329877 0.599124 O\n0.781539 0.827342 0.919059 O\n0.630873 0.963561 0.614165 O\n0.218463 0.172658 0.080942 O\n0.429870 0.670123 0.400876 O\n0.514207 0.477113 0.154832 O\n0.680879 0.263293 0.300949 O\n0.078046 0.347499 0.543230 O\n0.369129 0.036440 0.385835 O\n0.319123 0.736708 0.699052 O\n0.003877 0.497176 0.169994 O\n0.196123 0.172367 0.732601 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Rb",
"V",
"I",
"O"
],
"chemical_system": "I-O-Rb-V",
"density": 4.440761244091991,
"density_atomic": 0.06192712246764528,
"volume": 387.5523202703169,
"volume_molar": 9.724560935551875,
"formula_full": "Rb2 V2 I4 O16",
"formula_reduced": "RbV(IO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.138520395833334,
"spacegroup": 2
},
{
"id": "jvasp-109165",
"created_at": "2022-09-04T14:37:59.305113Z",
"updated_at": "2022-09-04T14:37:59.305130Z",
"structure_string": "Li1 Bi3 Cl2 O4\n1.0\n6.634985 0.045503 0.000000\n-4.394194 4.971534 0.000000\n-0.000000 -0.000000 5.487204\nLi Bi Cl O\n1 3 2 4\ndirect\n0.696080 0.303919 0.500000 Li\n0.149609 0.850390 -0.000000 Bi\n0.841144 0.158855 -0.000000 Bi\n0.345352 0.654646 0.500000 Bi\n0.495357 0.504642 -0.000000 Cl\n0.987017 0.012981 0.500000 Cl\n0.494235 0.001518 0.750739 O\n-0.001518 0.505764 0.249260 O\n-0.001518 0.505764 0.750739 O\n0.494235 0.001518 0.249260 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Bi",
"Cl",
"O"
],
"chemical_system": "Bi-Cl-Li-O",
"density": 7.010490451598221,
"density_atomic": 0.054915374751654034,
"volume": 182.098365807816,
"volume_molar": 10.966219910606393,
"formula_full": "Li1 Bi3 Cl2 O4",
"formula_reduced": "LiBi3(ClO2)2",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 1.4313365035,
"spacegroup": 38
},
{
"id": "jvasp-24321",
"created_at": "2022-09-04T14:37:36.167222Z",
"updated_at": "2022-09-04T14:37:36.167240Z",
"structure_string": "Na2 P2 Pd2 S8\n1.0\n6.452113 -0.000000 -3.309230\n-1.697273 6.224871 -3.309230\n0.060092 0.078670 8.061726\nNa P Pd S\n2 2 2 8\ndirect\n0.750000 0.750000 0.500000 Na\n0.250000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 P\n0.750000 0.250000 0.500000 P\n0.500000 0.000000 -0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n0.706028 0.206028 0.717619 S\n0.988410 0.488410 0.282381 S\n0.206028 0.011590 0.717620 S\n0.511590 0.706028 0.717619 S\n0.293972 0.793972 0.282381 S\n0.793972 0.988410 0.282381 S\n0.488410 0.293972 0.282381 S\n0.011590 0.511590 0.717620 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Na",
"P",
"Pd",
"S"
],
"chemical_system": "Na-P-Pd-S",
"density": 2.9302033978003124,
"density_atomic": 0.04279419695075354,
"volume": 327.14716007197984,
"volume_molar": 14.072330337055101,
"formula_full": "Na2 P2 Pd2 S8",
"formula_reduced": "NaPPdS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.7916514571428572,
"spacegroup": 140
},
{
"id": "jvasp-26480",
"created_at": "2022-09-04T14:37:58.524887Z",
"updated_at": "2022-09-04T14:37:58.524909Z",
"structure_string": "Na1 Hf2 V1 F11\n1.0\n5.323908 0.012924 2.011940\n1.014261 5.226417 2.011940\n0.002975 0.002459 7.763497\nNa Hf V F\n1 2 1 11\ndirect\n0.000000 0.000000 0.000000 Na\n0.504056 0.504055 0.765712 Hf\n0.495945 0.495945 0.234288 Hf\n0.000000 0.000000 0.500000 V\n0.806988 0.220830 0.692155 F\n0.779170 0.193013 0.307845 F\n0.193013 0.779170 0.307845 F\n0.220831 0.806987 0.692155 F\n0.500001 0.500000 0.500000 F\n0.330314 0.669686 0.000000 F\n0.669686 0.330314 0.000000 F\n0.251169 0.251168 0.351508 F\n0.748832 0.748832 0.648492 F\n0.266249 0.266248 0.891119 F\n0.733752 0.733752 0.108881 F\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Na",
"Hf",
"V",
"F"
],
"chemical_system": "F-Hf-Na-V",
"density": 4.922381324770231,
"density_atomic": 0.06948796264489314,
"volume": 215.8647257605615,
"volume_molar": 8.66645175765933,
"formula_full": "Na1 Hf2 V1 F11",
"formula_reduced": "NaHf2VF11",
"formula_anonymous": "ABC2D11",
"energy_above_hull": 0.8360214871666674,
"spacegroup": 12
},
{
"id": "jvasp-38049",
"created_at": "2022-09-04T14:38:00.844259Z",
"updated_at": "2022-09-04T14:38:00.844292Z",
"structure_string": "Li1 Tl2 In1 Cl6\n1.0\n-0.000000 5.035304 5.035304\n5.035304 0.000000 5.035304\n5.035304 5.035304 0.000000\nLi Tl In Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Tl\n0.749999 0.749999 0.749999 Tl\n0.000000 0.000000 0.000000 In\n0.250783 0.749217 0.749217 Cl\n0.250783 0.749217 0.250783 Cl\n0.749217 0.250783 0.749217 Cl\n0.749217 0.749217 0.250783 Cl\n0.250783 0.250783 0.749217 Cl\n0.749217 0.250783 0.250783 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Tl",
"In",
"Cl"
],
"chemical_system": "Cl-In-Li-Tl",
"density": 4.833627659141042,
"density_atomic": 0.03916452984571415,
"volume": 255.33307917634355,
"volume_molar": 15.376517434841658,
"formula_full": "Li1 Tl2 In1 Cl6",
"formula_reduced": "LiTl2InCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-57369",
"created_at": "2022-09-04T14:37:44.688597Z",
"updated_at": "2022-09-04T14:37:44.688623Z",
"structure_string": "Sr1 Fe2 P4 O14\n1.0\n4.828613 0.035114 -0.018940\n-2.143114 -6.863304 -0.012825\n-0.327079 0.031678 -7.866658\nSr Fe P O\n1 2 4 14\ndirect\n0.500000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.116399 0.229210 0.702165 P\n0.456966 0.378506 0.245126 P\n0.883601 0.770789 0.297835 P\n0.543034 0.621494 0.754875 P\n0.317066 0.446309 0.651996 O\n0.595302 0.808467 0.653511 O\n0.682933 0.553691 0.348005 O\n0.313007 0.096359 0.709798 O\n0.605064 0.353451 0.079302 O\n0.879827 0.183360 0.564135 O\n0.177300 0.429741 0.209751 O\n0.997297 0.762237 0.116763 O\n0.120173 0.816639 0.435866 O\n0.404698 0.191532 0.346490 O\n0.686993 0.903641 0.290202 O\n0.002703 0.237762 0.883238 O\n0.394936 0.646549 0.920699 O\n0.822700 0.570259 0.790250 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Sr",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P-Sr",
"density": 3.4926676962403813,
"density_atomic": 0.08072053587225125,
"volume": 260.1568457527922,
"volume_molar": 7.460481641909157,
"formula_full": "Sr1 Fe2 P4 O14",
"formula_reduced": "SrFe2(P2O7)2",
"formula_anonymous": "AB2C4D14",
"energy_above_hull": 3.030216586190476,
"spacegroup": 2
},
{
"id": "jvasp-28503",
"created_at": "2022-09-04T14:37:44.695217Z",
"updated_at": "2022-09-04T14:37:44.695241Z",
"structure_string": "Mo2 W1 Se4 S2\n1.0\n3.278249 0.000000 0.000000\n-1.639124 2.839041 0.000000\n-0.000000 0.000000 27.252913\nMo W Se S\n2 1 4 2\ndirect\n0.333324 0.666647 0.111610 Mo\n0.333324 0.666647 0.582355 Mo\n0.666668 0.333335 0.346982 W\n0.666658 0.333315 0.049636 Se\n0.666660 0.333318 0.520322 Se\n0.666660 0.333318 0.173643 Se\n0.666658 0.333315 0.644328 Se\n0.333327 0.666653 0.403744 S\n0.333327 0.666653 0.290221 S\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 4.947277156209101,
"density_atomic": 0.035482644313604324,
"volume": 253.64513198215414,
"volume_molar": 16.97207430983678,
"formula_full": "Mo2 W1 Se4 S2",
"formula_reduced": "Mo2W(Se2S)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 3.7694683629629626,
"spacegroup": 187
},
{
"id": "jvasp-23779",
"created_at": "2022-09-04T14:37:43.585780Z",
"updated_at": "2022-09-04T14:37:43.585802Z",
"structure_string": "Ba6 In2 Ru4 O18\n1.0\n2.932141 -5.078618 0.000000\n2.932141 5.078618 -0.000000\n-0.000000 -0.000000 14.431373\nBa In Ru O\n6 2 4 18\ndirect\n0.333333 0.666667 0.588361 Ba\n0.666667 0.333333 0.088361 Ba\n0.666667 0.333333 0.411639 Ba\n0.333333 0.666667 0.911639 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.333333 0.666667 0.162657 Ru\n0.666667 0.333333 0.662657 Ru\n0.666667 0.333333 0.837342 Ru\n0.333333 0.666667 0.337343 Ru\n0.025111 0.512556 0.250000 O\n0.974888 0.487444 0.750000 O\n0.512556 0.487444 0.750000 O\n0.487444 0.974888 0.250000 O\n0.173445 0.346890 0.414585 O\n0.826555 0.173444 0.914585 O\n0.346890 0.173445 0.914585 O\n0.653110 0.826555 0.414585 O\n0.653110 0.826555 0.085415 O\n0.826555 0.653110 0.585415 O\n0.826555 0.173444 0.585415 O\n0.826555 0.653110 0.914585 O\n0.346890 0.173445 0.585415 O\n0.487444 0.512556 0.250000 O\n0.173445 0.346890 0.085415 O\n0.173444 0.826555 0.085415 O\n0.173444 0.826555 0.414585 O\n0.512556 0.025111 0.750000 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"In",
"Ru",
"O"
],
"chemical_system": "Ba-In-O-Ru",
"density": 6.745160025620372,
"density_atomic": 0.06979964421758185,
"volume": 429.80161770571453,
"volume_molar": 8.627752802331738,
"formula_full": "Ba6 In2 Ru4 O18",
"formula_reduced": "Ba3InRu2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.301096692,
"spacegroup": 194
},
{
"id": "jvasp-16654",
"created_at": "2022-09-04T14:37:48.685799Z",
"updated_at": "2022-09-04T14:37:48.685816Z",
"structure_string": "Co1 Cu2 Sn1 Se4\n1.0\n5.220047 0.000000 -2.337875\n-1.047051 5.113959 -2.337875\n-0.034794 -0.042639 6.918956\nCo Cu Sn Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.750001 0.250000 0.500001 Cu\n0.250001 0.750000 0.500001 Cu\n0.500000 0.500000 0.000001 Sn\n0.358038 0.358038 0.264525 Se\n0.641963 0.093513 0.735477 Se\n0.093514 0.641962 0.735477 Se\n0.906488 0.906487 0.264526 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Co",
"Cu",
"Sn",
"Se"
],
"chemical_system": "Co-Cu-Se-Sn",
"density": 5.610806378191294,
"density_atomic": 0.04355838399019549,
"volume": 183.66154267340846,
"volume_molar": 13.825445777225156,
"formula_full": "Co1 Cu2 Sn1 Se4",
"formula_reduced": "CoCu2SnSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.1982758708333334,
"spacegroup": 121
},
{
"id": "jvasp-108845",
"created_at": "2022-09-04T14:37:59.334478Z",
"updated_at": "2022-09-04T14:37:59.334502Z",
"structure_string": "K2 Na1 Ce1 I6\n1.0\n7.516473 -0.000000 4.339638\n2.505491 7.086598 4.339638\n-0.000000 -0.000000 8.679275\nK Na Ce I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Ce\n0.747936 0.252064 0.252064 I\n0.252063 0.252064 0.747937 I\n0.252063 0.747937 0.747937 I\n0.252063 0.747937 0.252064 I\n0.747936 0.252064 0.747937 I\n0.747936 0.747937 0.252064 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Ce",
"I"
],
"chemical_system": "Ce-I-K-Na",
"density": 3.6016159973481057,
"density_atomic": 0.021630405037443234,
"volume": 462.3121935391194,
"volume_molar": 27.841091045569392,
"formula_full": "K2 Na1 Ce1 I6",
"formula_reduced": "K2NaCeI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-58327",
"created_at": "2022-09-04T14:37:38.416308Z",
"updated_at": "2022-09-04T14:37:38.416329Z",
"structure_string": "K4 Zn2 C8 N8\n1.0\n7.650830 0.000000 4.417209\n2.550276 7.213271 4.417209\n-0.000000 -0.000000 8.834417\nK Zn C N\n4 2 8 8\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.125000 0.125000 0.125000 Zn\n0.875000 0.875000 0.875000 Zn\n0.782184 0.782183 0.153451 C\n0.217817 0.846549 0.217817 C\n0.153451 0.782183 0.782183 C\n0.782183 0.153451 0.782183 C\n0.846549 0.217817 0.217817 C\n0.217817 0.217817 0.846550 C\n0.782184 0.782183 0.782183 C\n0.217817 0.217817 0.217817 C\n0.315557 0.728148 0.728148 N\n0.728148 0.315557 0.728148 N\n0.728148 0.728148 0.728148 N\n0.271852 0.684443 0.271852 N\n0.271852 0.271852 0.684443 N\n0.271852 0.271852 0.271852 N\n0.728148 0.728148 0.315557 N\n0.684443 0.271852 0.271852 N\n",
"nsites": 22,
"nelements": 4,
"elements": [
"K",
"Zn",
"C",
"N"
],
"chemical_system": "C-K-N-Zn",
"density": 1.68710813566895,
"density_atomic": 0.04512362538209615,
"volume": 487.54947798873036,
"volume_molar": 13.34587083596662,
"formula_full": "K4 Zn2 C8 N8",
"formula_reduced": "K2Zn(CN)4",
"formula_anonymous": "AB2C4D4",
"energy_above_hull": 4.526301763636364,
"spacegroup": 227
}
]
}