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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=282",
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"results": [
{
"id": "jvasp-107336",
"created_at": "2022-09-04T14:36:50.148365Z",
"updated_at": "2022-09-04T14:36:50.148380Z",
"structure_string": "Ho2 Ga3 Ni1\n1.0\n4.295103 0.002733 3.440717\n2.119141 3.735928 3.440717\n-0.013730 -0.008003 7.026366\nHo Ga Ni\n2 3 1\ndirect\n0.538567 0.538568 0.709744 Ho\n0.453376 0.453376 0.296795 Ho\n0.851864 0.851865 0.680911 Ga\n0.823786 0.823787 0.124877 Ga\n0.163142 0.163143 0.906225 Ga\n0.169263 0.169264 0.281452 Ni\n",
"nsites": 6,
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"elements": [
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],
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"volume": 112.94202637506861,
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"formula_full": "Ho2 Ga3 Ni1",
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{
"id": "jvasp-104543",
"created_at": "2022-09-04T14:36:51.131209Z",
"updated_at": "2022-09-04T14:36:51.131229Z",
"structure_string": "Li1 Ti1 V2 O6\n1.0\n2.947903 -0.002716 0.021657\n-1.457957 6.058220 -1.305721\n-0.044208 -0.009423 5.808131\nLi Ti V O\n1 1 2 6\ndirect\n0.670035 0.340399 0.836154 Li\n0.351404 0.702768 0.632240 Ti\n0.990224 0.980330 0.036288 V\n0.659553 0.319158 0.334000 V\n0.499951 0.000022 0.795856 O\n0.827252 0.654587 0.415287 O\n0.152438 0.305083 0.097092 O\n0.838701 0.677183 0.869758 O\n0.179249 0.358353 0.568736 O\n0.497242 -0.005785 0.252571 O\n",
"nsites": 10,
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"elements": [
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"volume": 103.67434382091305,
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"formula_full": "Li1 Ti1 V2 O6",
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"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-102792",
"created_at": "2022-09-04T14:36:52.154161Z",
"updated_at": "2022-09-04T14:36:52.154188Z",
"structure_string": "Cd2 In1 Cu1 Se4\n1.0\n7.320770 0.009851 3.669840\n6.080558 4.076834 3.669840\n0.006053 0.001846 7.348499\nCd In Cu Se\n2 1 1 4\ndirect\n0.497290 0.497289 0.184729 Cd\n0.996620 0.996618 0.654108 Cd\n0.750905 0.750905 0.596223 In\n0.252119 0.252119 0.066009 Cu\n0.076506 0.076507 0.252138 Se\n0.562077 0.562077 0.773996 Se\n0.806805 0.806805 0.882338 Se\n0.305041 0.305041 0.340460 Se\n",
"nsites": 8,
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"elements": [
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"Se"
],
"chemical_system": "Cd-Cu-In-Se",
"density": 5.457374140660304,
"density_atomic": 0.036566216260772604,
"volume": 218.78118159526983,
"volume_molar": 16.469138390072953,
"formula_full": "Cd2 In1 Cu1 Se4",
"formula_reduced": "Cd2InCuSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.0618629233333333,
"spacegroup": 8
},
{
"id": "jvasp-101876",
"created_at": "2022-09-04T14:36:52.187469Z",
"updated_at": "2022-09-04T14:36:52.187496Z",
"structure_string": "Sn1 H6 C4 O4\n1.0\n5.490855 -0.114035 2.909346\n2.310745 5.221184 1.871733\n0.006501 -0.085758 6.008245\nSn H C O\n1 6 4 4\ndirect\n0.469729 0.222698 0.886596 Sn\n0.965582 0.539565 0.949715 H\n0.965692 0.285363 0.202638 H\n0.035347 0.542129 0.207244 H\n-0.013155 0.966942 0.628467 H\n0.935114 0.270830 0.682124 H\n0.935575 0.014635 0.934511 H\n0.056813 0.421727 0.085816 C\n0.885246 0.103876 0.768068 C\n0.478623 0.027218 0.472576 C\n0.478727 0.808573 0.691137 C\n0.478591 -0.005847 0.277214 O\n0.475900 0.848734 0.890007 O\n0.475560 0.226192 0.512813 O\n0.478609 0.613228 0.658105 O\n",
"nsites": 15,
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"elements": [
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"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
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"density_atomic": 0.08618863442080044,
"volume": 174.0368680952202,
"volume_molar": 6.987163447326461,
"formula_full": "Sn1 H6 C4 O4",
"formula_reduced": "SnH6(CO)4",
"formula_anonymous": "AB4C4D6",
"energy_above_hull": 4.071171046666666,
"spacegroup": 8
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{
"id": "jvasp-57959",
"created_at": "2022-09-04T14:36:52.277341Z",
"updated_at": "2022-09-04T14:36:52.277367Z",
"structure_string": "Zn1 Fe4 O8\n1.0\n2.825350 -0.000871 -0.000439\n-1.410841 6.913422 0.306113\n-1.412159 -0.849439 6.678501\nZn Fe O\n1 4 8\ndirect\n0.468965 0.830474 0.105008 Zn\n0.808034 0.438556 0.175078 Fe\n0.645737 0.790046 0.499000 Fe\n0.330257 0.161290 0.496764 Fe\n0.147685 0.496324 0.796607 Fe\n0.524339 0.371807 0.674435 O\n0.796597 0.248015 0.342722 O\n0.169512 0.699097 0.637494 O\n0.443840 0.579028 0.306183 O\n0.176053 0.336348 0.013362 O\n0.119597 0.914030 0.322720 O\n0.809143 0.643019 0.972811 O\n0.834203 0.037507 0.628452 O\n",
"nsites": 13,
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"elements": [
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],
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"density": 5.276171614837361,
"density_atomic": 0.09910645027878143,
"volume": 131.17208782507757,
"volume_molar": 6.0764367435823035,
"formula_full": "Zn1 Fe4 O8",
"formula_reduced": "Zn(FeO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.8664615692307693,
"spacegroup": 8
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{
"id": "jvasp-105438",
"created_at": "2022-09-04T14:36:53.135778Z",
"updated_at": "2022-09-04T14:36:53.135804Z",
"structure_string": "Na2 Zn3 Ge1 As4\n1.0\n7.777750 -0.016633 3.551593\n6.681277 3.981735 3.551593\n0.015502 0.004251 7.130840\nNa Zn Ge As\n2 3 1 4\ndirect\n0.511249 0.511248 0.482297 Na\n0.001182 0.001182 0.000206 Na\n0.800907 0.800906 0.522776 Zn\n0.663228 0.663227 0.993386 Zn\n0.181776 0.181776 0.506801 Zn\n0.317782 0.317782 0.016764 Ge\n0.624788 0.624787 0.704784 As\n0.149948 0.149948 0.191652 As\n0.369956 0.369955 0.300847 As\n0.873302 0.873301 0.780483 As\n",
"nsites": 10,
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"elements": [
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"Zn",
"Ge",
"As"
],
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"density": 4.6093072500619865,
"density_atomic": 0.04516909563968668,
"volume": 221.39030809405347,
"volume_molar": 13.332435982421574,
"formula_full": "Na2 Zn3 Ge1 As4",
"formula_reduced": "Na2Zn3GeAs4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 0.4391432150000001,
"spacegroup": 8
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{
"id": "jvasp-104918",
"created_at": "2022-09-04T14:36:54.250131Z",
"updated_at": "2022-09-04T14:36:54.250150Z",
"structure_string": "Ti1 Mo2 S4\n1.0\n6.129597 -0.013948 2.719140\n5.283454 3.107613 2.719140\n0.004228 0.001146 6.015614\nTi Mo S\n1 2 4\ndirect\n0.742029 0.742027 0.318555 Ti\n0.258204 0.258205 0.684623 Mo\n0.001609 0.001611 0.993668 Mo\n0.895168 0.895166 0.442552 S\n0.104748 0.104749 0.557013 S\n0.637721 0.637719 0.028819 S\n0.360521 0.360522 0.974766 S\n",
"nsites": 7,
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"elements": [
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],
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"density": 5.314163310363054,
"density_atomic": 0.06087342806355673,
"volume": 114.99270244303376,
"volume_molar": 9.892889149782075,
"formula_full": "Ti1 Mo2 S4",
"formula_reduced": "Ti(MoS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.6690300190476175,
"spacegroup": 8
},
{
"id": "jvasp-105368",
"created_at": "2022-09-04T14:36:55.040878Z",
"updated_at": "2022-09-04T14:36:55.040905Z",
"structure_string": "V1 Cr2 S4\n1.0\n3.231869 0.000000 0.880682\n0.666883 5.259860 -2.447284\n-0.005638 0.008607 6.391082\nV Cr S\n1 2 4\ndirect\n0.258528 0.690276 0.482942 V\n0.738260 0.313361 0.523480 Cr\n0.005199 0.997282 0.989599 Cr\n0.362852 0.983008 0.274295 S\n0.637452 0.024415 0.725094 S\n0.109231 0.546647 0.781536 S\n0.888472 0.445014 0.223055 S\n",
"nsites": 7,
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"elements": [
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"Cr",
"S"
],
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"density": 4.3244791611646205,
"density_atomic": 0.06437232029474488,
"volume": 108.74239064164126,
"volume_molar": 9.355171186041007,
"formula_full": "V1 Cr2 S4",
"formula_reduced": "V(CrS2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 8
},
{
"id": "jvasp-105519",
"created_at": "2022-09-04T14:36:55.058630Z",
"updated_at": "2022-09-04T14:36:55.058651Z",
"structure_string": "Er2 Ga3 Ni1\n1.0\n4.292677 -0.005940 3.413725\n2.131584 3.726052 3.413725\n-0.002990 -0.001731 6.986389\nEr Ga Ni\n2 3 1\ndirect\n0.461639 0.461639 0.290091 Er\n0.546736 0.546736 0.703330 Er\n0.148122 0.148122 0.319994 Ga\n0.176160 0.176160 0.874702 Ga\n0.836788 0.836787 0.093605 Ga\n0.830554 0.830554 0.718276 Ni\n",
"nsites": 6,
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"elements": [
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],
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"density": 8.94023453807457,
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"volume": 111.88478142202752,
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"formula_full": "Er2 Ga3 Ni1",
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"formula_anonymous": "AB2C3",
"energy_above_hull": 0.3409598958333333,
"spacegroup": 8
},
{
"id": "jvasp-105365",
"created_at": "2022-09-04T14:36:55.378726Z",
"updated_at": "2022-09-04T14:36:55.378734Z",
"structure_string": "Tm2 Ga3 Ni1\n1.0\n4.285928 -0.001605 3.393447\n2.127231 3.720763 3.393447\n-0.001351 -0.000784 6.950098\nTm Ga Ni\n2 3 1\ndirect\n0.538360 0.538361 0.709840 Tm\n0.453051 0.453052 0.296744 Tm\n0.851937 0.851938 0.679155 Ga\n0.823857 0.823858 0.125603 Ga\n0.163227 0.163228 0.906575 Ga\n0.169567 0.169568 0.282084 Ni\n",
"nsites": 6,
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"elements": [
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],
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"density": 9.071490370610828,
"density_atomic": 0.05411293940798508,
"volume": 110.87921051124087,
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"formula_full": "Tm2 Ga3 Ni1",
"formula_reduced": "Tm2Ga3Ni",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.3357813125000001,
"spacegroup": 8
},
{
"id": "jvasp-106748",
"created_at": "2022-09-04T14:36:55.383070Z",
"updated_at": "2022-09-04T14:36:55.383101Z",
"structure_string": "Sm2 Ga3 Ni1\n1.0\n4.345258 -0.006628 3.554750\n2.120680 3.792628 3.554750\n-0.004886 -0.002861 7.273585\nSm Ga Ni\n2 3 1\ndirect\n0.540024 0.540025 0.709472 Sm\n0.452212 0.452212 0.298890 Sm\n0.852377 0.852377 0.686079 Ga\n0.823648 0.823648 0.121417 Ga\n0.162866 0.162867 0.907006 Ga\n0.168871 0.168871 0.277134 Ni\n",
"nsites": 6,
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],
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"density": 7.8640680837596415,
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"volume": 120.05914467233458,
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"formula_full": "Sm2 Ga3 Ni1",
"formula_reduced": "Sm2Ga3Ni",
"formula_anonymous": "AB2C3",
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"spacegroup": 8
},
{
"id": "jvasp-42497",
"created_at": "2022-09-04T14:36:56.202256Z",
"updated_at": "2022-09-04T14:36:56.202277Z",
"structure_string": "Ti6 N4 O6\n1.0\n3.803154 -0.000000 -0.000000\n-1.901576 4.932778 -0.025985\n-0.000000 -0.051878 9.957087\nTi N O\n6 4 6\ndirect\n0.190227 0.380454 0.248681 Ti\n0.143870 0.287741 0.945419 Ti\n0.134849 0.269698 0.554337 Ti\n0.799072 0.598144 0.747346 Ti\n0.856242 0.712486 0.049675 Ti\n0.864615 0.729235 0.442434 Ti\n0.305686 0.611375 0.077208 N\n0.045490 0.090981 0.381961 N\n0.694744 0.389492 0.575588 N\n0.692867 0.385736 0.921484 N\n0.315032 0.630066 0.424087 O\n0.248919 0.497839 0.752538 O\n0.045566 0.091131 0.117105 O\n0.752726 0.505456 0.257913 O\n0.954411 0.908825 0.882905 O\n0.955668 0.911341 0.621323 O\n",
"nsites": 16,
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"formula_full": "Ti6 N4 O6",
"formula_reduced": "Ti3N2O3",
"formula_anonymous": "A2B3C3",
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"spacegroup": 8
}
]
}