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=id&page=596",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=594",
"results": [
{
"id": "jvasp-110186",
"created_at": "2022-09-04T14:37:55.992122Z",
"updated_at": "2022-09-04T14:37:55.992142Z",
"structure_string": "Pr1 Dy1 Al4\n1.0\n4.881764 -0.000000 2.818488\n1.627255 4.602571 2.818488\n-0.000000 -0.000000 5.636975\nPr Dy Al\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Pr\n0.250000 0.250000 0.250001 Dy\n0.624775 0.624776 0.125675 Al\n0.624775 0.125674 0.624777 Al\n0.125673 0.624776 0.624777 Al\n0.624775 0.624776 0.624777 Al\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pr",
"Dy",
"Al"
],
"chemical_system": "Al-Dy-Pr",
"density": 5.392872018932981,
"density_atomic": 0.04737267017080062,
"volume": 126.65530522909506,
"volume_molar": 12.712267934839575,
"formula_full": "Pr1 Dy1 Al4",
"formula_reduced": "PrDyAl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7348379250000003,
"spacegroup": 216
},
{
"id": "jvasp-110189",
"created_at": "2022-09-04T14:37:59.589617Z",
"updated_at": "2022-09-04T14:37:59.589639Z",
"structure_string": "Nb1 O2 F1\n1.0\n3.909792 -0.000000 0.000000\n0.000000 3.909792 0.000000\n0.000000 -0.000000 4.141383\nNb O F\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Nb\n-0.000000 0.500000 -0.000000 O\n0.500000 0.000000 -0.000000 O\n0.000000 0.000000 0.500000 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"O",
"F"
],
"chemical_system": "F-Nb-O",
"density": 3.7745745012617884,
"density_atomic": 0.06318402490914664,
"volume": 63.30714141354032,
"volume_molar": 9.53111291763913,
"formula_full": "Nb1 O2 F1",
"formula_reduced": "NbO2F",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.851926670625,
"spacegroup": 123
},
{
"id": "jvasp-11019",
"created_at": "2022-09-04T14:37:17.735666Z",
"updated_at": "2022-09-04T14:37:17.735687Z",
"structure_string": "Mn4 Zn2 O10\n1.0\n3.465551 0.000000 0.000000\n0.000000 4.505183 0.000000\n0.000000 0.000000 11.562543\nMn Zn O\n4 2 10\ndirect\n0.500000 0.536007 0.350552 Mn\n0.000000 0.463993 0.149448 Mn\n0.000000 0.463993 0.850552 Mn\n0.500000 0.536007 0.649447 Mn\n0.000000 0.045511 0.500000 Zn\n0.500000 0.954488 0.000000 Zn\n0.000000 0.607086 0.000000 O\n0.500000 0.392914 0.500000 O\n0.000000 0.428501 0.322507 O\n0.500000 0.571498 0.177493 O\n0.000000 0.428501 0.677493 O\n0.500000 0.571498 0.822506 O\n0.500000 0.910183 0.614433 O\n0.000000 0.089816 0.885566 O\n0.000000 0.089816 0.114433 O\n0.500000 0.910183 0.385567 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mn",
"Zn",
"O"
],
"chemical_system": "Mn-O-Zn",
"density": 4.696359649187528,
"density_atomic": 0.08863023293726627,
"volume": 180.52530688173894,
"volume_molar": 6.794680054900179,
"formula_full": "Mn4 Zn2 O10",
"formula_reduced": "Mn2ZnO5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.571825297844827,
"spacegroup": 59
},
{
"id": "jvasp-110191",
"created_at": "2022-09-04T14:38:18.914515Z",
"updated_at": "2022-09-04T14:38:18.914535Z",
"structure_string": "Nb1 O3\n1.0\n3.983237 -0.000000 0.000000\n0.000000 3.983237 0.000000\n-0.000000 0.000000 3.986218\nNb O\n1 3\ndirect\n0.000000 0.000000 0.993838 Nb\n0.500000 0.000000 0.004344 O\n0.000000 0.000000 0.501612 O\n-0.000000 0.500000 0.004344 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nb",
"O"
],
"chemical_system": "Nb-O",
"density": 3.699481556320035,
"density_atomic": 0.06324506606920001,
"volume": 63.246040341287234,
"volume_molar": 9.521913936196754,
"formula_full": "Nb1 O3",
"formula_reduced": "NbO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.654097475,
"spacegroup": 221
},
{
"id": "jvasp-110194",
"created_at": "2022-09-04T14:38:18.428933Z",
"updated_at": "2022-09-04T14:38:18.428956Z",
"structure_string": "Nb6 Pd1 Pt1\n1.0\n5.204035 0.000000 0.000000\n0.000000 5.204035 0.000000\n-0.000000 -0.000000 5.204035\nNb Pd Pt\n6 1 1\ndirect\n-0.000000 0.500000 0.750761 Nb\n0.500000 0.249240 -0.000000 Nb\n0.750761 0.000000 0.500000 Nb\n-0.000000 0.500000 0.249240 Nb\n0.500000 0.750761 -0.000000 Nb\n0.249240 0.000000 0.500000 Nb\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nb",
"Pd",
"Pt"
],
"chemical_system": "Nb-Pd-Pt",
"density": 10.120278216316766,
"density_atomic": 0.05676352545606007,
"volume": 140.93557325280474,
"volume_molar": 10.609173252746016,
"formula_full": "Nb6 Pd1 Pt1",
"formula_reduced": "Nb6PdPt",
"formula_anonymous": "ABC6",
"energy_above_hull": 5.3899916875,
"spacegroup": 200
},
{
"id": "jvasp-110195",
"created_at": "2022-09-04T14:38:20.056632Z",
"updated_at": "2022-09-04T14:38:20.056642Z",
"structure_string": "Nb1 Mo1 S4\n1.0\n3.285210 0.000000 0.000000\n-0.000000 5.454138 1.646116\n-0.000000 0.083964 6.356403\nNb Mo S\n1 1 4\ndirect\n0.500000 0.495994 0.001205 Nb\n0.000000 0.002420 0.000781 Mo\n0.000000 0.415381 0.740005 S\n0.500000 0.924612 0.746225 S\n0.500000 0.753594 0.255074 S\n0.000000 0.239995 0.260712 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nb",
"Mo",
"S"
],
"chemical_system": "Mo-Nb-S",
"density": 4.6418196979791215,
"density_atomic": 0.052891445981183643,
"volume": 113.43989351575915,
"volume_molar": 11.385850109188548,
"formula_full": "Nb1 Mo1 S4",
"formula_reduced": "NbMoS4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.351680883333334,
"spacegroup": 6
},
{
"id": "jvasp-110196",
"created_at": "2022-09-04T14:38:10.013116Z",
"updated_at": "2022-09-04T14:38:10.013147Z",
"structure_string": "Nd2 Mn1 Fe3 Si4\n1.0\n3.998206 0.000000 0.000000\n0.000000 3.998206 0.000000\n-0.000000 -0.000000 9.990343\nNd Mn Fe Si\n2 1 3 4\ndirect\n0.000000 0.000000 0.994061 Nd\n0.500000 0.500000 0.505938 Nd\n-0.000000 0.500000 0.250000 Mn\n0.500000 0.000000 0.750000 Fe\n0.500000 0.000000 0.250000 Fe\n-0.000000 0.500000 0.750000 Fe\n0.500000 0.500000 0.128389 Si\n0.000000 0.000000 0.641571 Si\n0.000000 0.000000 0.371611 Si\n0.500000 0.500000 0.858429 Si\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Nd",
"Mn",
"Fe",
"Si"
],
"chemical_system": "Fe-Mn-Nd-Si",
"density": 6.480892632337702,
"density_atomic": 0.06261656905935434,
"volume": 159.70213875054355,
"volume_molar": 9.617487592288239,
"formula_full": "Nd2 Mn1 Fe3 Si4",
"formula_reduced": "Nd2MnFe3Si4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.5757071141379315,
"spacegroup": 115
},
{
"id": "jvasp-110197",
"created_at": "2022-09-04T14:38:12.566090Z",
"updated_at": "2022-09-04T14:38:12.566117Z",
"structure_string": "Nb1 V1 N2\n1.0\n2.919158 0.006512 4.394036\n1.331381 2.597874 4.394036\n0.010629 0.006512 5.275312\nNb V N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500001 0.499998 0.500001 V\n0.242998 0.242997 0.242998 N\n0.757004 0.757000 0.757004 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"V",
"N"
],
"chemical_system": "N-Nb-V",
"density": 7.171549387806183,
"density_atomic": 0.10051846441638404,
"volume": 39.79368390896368,
"volume_molar": 5.991079146468158,
"formula_full": "Nb1 V1 N2",
"formula_reduced": "NbVN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.769902525,
"spacegroup": 166
},
{
"id": "jvasp-110198",
"created_at": "2022-09-04T14:38:16.750670Z",
"updated_at": "2022-09-04T14:38:16.750696Z",
"structure_string": "Nb1 Zn1 Pb2 O6\n1.0\n4.999805 -0.004628 3.011607\n1.699473 4.702112 3.011607\n-0.006600 -0.004628 5.836762\nNb Zn Pb O\n1 1 2 6\ndirect\n0.489168 0.489168 0.489169 Nb\n0.988254 0.988254 0.988257 Zn\n0.755794 0.755794 0.755796 Pb\n0.259747 0.259747 0.259748 Pb\n0.723906 0.723906 0.213681 O\n0.233215 0.233215 0.700111 O\n0.723907 0.213679 0.723908 O\n0.233215 0.700110 0.233217 O\n0.213679 0.723906 0.723908 O\n0.700110 0.233215 0.233217 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Nb",
"Zn",
"Pb",
"O"
],
"chemical_system": "Nb-O-Pb-Zn",
"density": 8.081341794129054,
"density_atomic": 0.07277721028143751,
"volume": 137.40565159517513,
"volume_molar": 8.27476175125663,
"formula_full": "Nb1 Zn1 Pb2 O6",
"formula_reduced": "NbZn(PbO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.0885342440000003,
"spacegroup": 160
},
{
"id": "jvasp-110199",
"created_at": "2022-09-04T14:38:18.977533Z",
"updated_at": "2022-09-04T14:38:18.977557Z",
"structure_string": "Nb3 Sn1 Ge1 Mo3\n1.0\n5.143372 -0.002414 0.007274\n0.007260 5.143367 0.007274\n-0.002418 -0.002414 5.143376\nNb Sn Ge Mo\n3 1 1 3\ndirect\n0.255574 0.998301 0.500579 Nb\n0.998300 0.500581 0.255573 Nb\n0.500580 0.255576 0.998300 Nb\n0.998809 0.998812 0.998809 Sn\n0.499938 0.499940 0.499938 Ge\n0.747484 0.998724 0.500590 Mo\n0.998722 0.500592 0.747484 Mo\n0.500590 0.747486 0.998722 Mo\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Nb",
"Sn",
"Ge",
"Mo"
],
"chemical_system": "Ge-Mo-Nb-Sn",
"density": 9.249328253518915,
"density_atomic": 0.058795677370318156,
"volume": 136.0644244238037,
"volume_molar": 10.242488953856599,
"formula_full": "Nb3 Sn1 Ge1 Mo3",
"formula_reduced": "Nb3SnGeMo3",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 5.17278919375,
"spacegroup": 146
},
{
"id": "jvasp-11020",
"created_at": "2022-09-04T14:37:08.834584Z",
"updated_at": "2022-09-04T14:37:08.834595Z",
"structure_string": "Ca2 V4 O8\n1.0\n3.090623 -0.000449 -0.002081\n-1.544426 6.686230 -0.006254\n-1.540228 -1.382465 7.664324\nCa V O\n2 4 8\ndirect\n0.517074 0.863756 0.162407 Ca\n0.463390 0.103182 0.815707 Ca\n0.801697 0.434542 0.160917 V\n0.649495 0.777924 0.513226 V\n0.330911 0.189018 0.464889 V\n0.178774 0.532391 0.817200 V\n0.542198 0.400968 0.675459 O\n0.763118 0.216742 0.301641 O\n0.217273 0.750194 0.676472 O\n0.438307 0.565970 0.302656 O\n0.149541 0.301372 0.989851 O\n0.137208 0.891576 0.374920 O\n0.830884 0.665560 0.988264 O\n0.843226 0.075367 0.603195 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"V",
"O"
],
"chemical_system": "Ca-O-V",
"density": 4.320327410641061,
"density_atomic": 0.08842715897083467,
"volume": 158.32239962178957,
"volume_molar": 6.810284114167054,
"formula_full": "Ca2 V4 O8",
"formula_reduced": "CaV2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.5533904028571426,
"spacegroup": 12
},
{
"id": "jvasp-110200",
"created_at": "2022-09-04T14:38:27.202057Z",
"updated_at": "2022-09-04T14:38:27.202068Z",
"structure_string": "Na1 Y1 F4\n1.0\n3.803606 -0.000000 0.000000\n0.000000 3.803606 0.000000\n-0.000000 -0.000000 5.465316\nNa Y F\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Na\n0.500001 0.500001 0.500000 Y\n0.500001 0.000000 0.733162 F\n-0.000000 0.500001 0.266838 F\n0.500001 0.000000 0.266838 F\n-0.000000 0.500001 0.733162 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Y",
"F"
],
"chemical_system": "F-Na-Y",
"density": 3.9458871789970016,
"density_atomic": 0.07588307566160064,
"volume": 79.06901437096334,
"volume_molar": 7.936078904940068,
"formula_full": "Na1 Y1 F4",
"formula_reduced": "NaYF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 123
}
]
}