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{
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"results": [
{
"id": "jvasp-118681",
"created_at": "2022-09-04T14:38:51.306497Z",
"updated_at": "2022-09-04T14:38:51.306517Z",
"structure_string": "Mg2 Cl2\n1.0\n3.392004 -0.565161 -0.415341\n-0.717355 -5.204728 1.221021\n-0.391445 1.589576 -5.364815\nMg Cl\n2 2\ndirect\n0.196184 0.891351 0.009377 Mg\n0.696037 0.639005 0.505954 Mg\n0.196092 0.446004 0.119189 Cl\n0.696088 0.084438 0.396033 Cl\n",
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{
"id": "jvasp-119028",
"created_at": "2022-09-04T14:38:51.238832Z",
"updated_at": "2022-09-04T14:38:51.238861Z",
"structure_string": "Pr4 Zn10 Pb2\n1.0\n8.701868 -0.022627 0.000000\n-7.528570 4.363903 0.000000\n-0.000000 -0.000000 9.159704\nPr Zn Pb\n4 10 2\ndirect\n0.205237 0.794762 0.250000 Pr\n0.794762 0.205237 0.750000 Pr\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.815040 0.184959 0.391137 Zn\n0.184959 0.815040 0.608862 Zn\n0.815040 0.184959 0.108862 Zn\n0.184959 0.815040 0.891137 Zn\n0.659083 0.340916 0.485688 Zn\n0.340916 0.659083 0.514311 Zn\n0.659083 0.340916 0.014311 Zn\n0.340916 0.659083 0.985688 Zn\n0.391688 0.608311 0.250000 Zn\n0.608311 0.391688 0.750000 Zn\n0.553730 0.446269 0.250000 Pb\n0.446269 0.553730 0.750000 Pb\n",
"nsites": 16,
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"spacegroup": 63
},
{
"id": "jvasp-119112",
"created_at": "2022-09-04T14:38:51.135724Z",
"updated_at": "2022-09-04T14:38:51.135744Z",
"structure_string": "Ce4 Al18 Rh6\n1.0\n7.617279 -0.006283 0.000000\n-3.745064 6.633059 0.000000\n-0.000000 -0.000000 9.523514\nCe Al Rh\n4 18 6\ndirect\n0.996897 0.670960 0.250000 Ce\n0.003104 0.329041 0.750000 Ce\n0.670960 0.996897 0.250000 Ce\n0.329041 0.003104 0.750000 Ce\n0.451645 0.658727 0.750000 Al\n0.548356 0.341273 0.250000 Al\n0.658728 0.451645 0.750000 Al\n0.341273 0.548355 0.250000 Al\n0.870303 0.870303 0.750000 Al\n0.129698 0.129698 0.250000 Al\n0.334381 0.334381 0.947698 Al\n0.665620 0.665619 0.052301 Al\n0.665620 0.665619 0.447699 Al\n0.335515 0.002948 0.074762 Al\n0.664486 0.997053 0.925238 Al\n0.664486 0.997053 0.574761 Al\n0.002948 0.335515 0.425238 Al\n0.335515 0.002948 0.425238 Al\n0.997053 0.664486 0.574761 Al\n0.997053 0.664486 0.925238 Al\n0.002948 0.335515 0.074762 Al\n0.334381 0.334381 0.552301 Al\n0.000000 0.000000 0.000000 Rh\n0.671254 0.328747 -0.000000 Rh\n0.328747 0.671254 -0.000000 Rh\n0.328747 0.671254 0.500000 Rh\n0.671254 0.328747 0.500000 Rh\n0.000000 0.000000 0.500000 Rh\n",
"nsites": 28,
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"elements": [
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"Al",
"Rh"
],
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"density_atomic": 0.05821694137829708,
"volume": 480.9596543049963,
"volume_molar": 10.344309778948672,
"formula_full": "Ce4 Al18 Rh6",
"formula_reduced": "Ce2(Al3Rh)3",
"formula_anonymous": "A2B3C9",
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"spacegroup": 63
},
{
"id": "jvasp-116478",
"created_at": "2022-09-04T14:38:50.996187Z",
"updated_at": "2022-09-04T14:38:50.996213Z",
"structure_string": "Pr4 Te10\n1.0\n22.666607 -0.004425 0.000000\n-22.227117 4.441886 0.000000\n-0.000000 -0.000000 4.468962\nPr Te\n4 10\ndirect\n0.098468 0.901534 0.250000 Pr\n0.901534 0.098468 0.750000 Pr\n0.307248 0.692754 0.250000 Pr\n0.692754 0.307248 0.750000 Pr\n0.958113 0.041889 0.250000 Te\n0.041889 0.958112 0.750000 Te\n0.541922 0.458079 0.250000 Te\n0.458079 0.541922 0.750000 Te\n0.749969 0.250033 0.250000 Te\n0.250033 0.749969 0.750000 Te\n0.173040 0.826962 0.250000 Te\n0.826962 0.173040 0.750000 Te\n0.379851 0.620151 0.250000 Te\n0.620151 0.379851 0.750000 Te\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.795847109246943,
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"volume": 449.50665168088244,
"volume_molar": 19.335659492704036,
"formula_full": "Pr4 Te10",
"formula_reduced": "Pr2Te5",
"formula_anonymous": "A2B5",
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"spacegroup": 63
},
{
"id": "jvasp-119469",
"created_at": "2022-09-04T14:38:50.983329Z",
"updated_at": "2022-09-04T14:38:50.983359Z",
"structure_string": "Dy4 Al18 Ir6\n1.0\n7.535566 -0.006602 0.000000\n-3.711478 6.558181 0.000000\n-0.000000 -0.000000 9.496139\nDy Al Ir\n4 18 6\ndirect\n0.995638 0.671319 0.750000 Dy\n0.004362 0.328681 0.250000 Dy\n0.671319 0.995638 0.750000 Dy\n0.328681 0.004362 0.250000 Dy\n0.451653 0.660833 0.250000 Al\n0.548347 0.339167 0.750000 Al\n0.660833 0.451653 0.250000 Al\n0.339167 0.548347 0.750000 Al\n0.333393 0.333393 0.445480 Al\n0.666607 0.666607 0.554520 Al\n0.666607 0.666607 0.945481 Al\n0.333393 0.333393 0.054520 Al\n0.335221 0.001114 0.574427 Al\n0.664780 0.998886 0.074427 Al\n0.001114 0.335220 0.925574 Al\n0.335221 0.001114 0.925574 Al\n0.998886 0.664780 0.074427 Al\n0.998886 0.664780 0.425573 Al\n0.001114 0.335220 0.574427 Al\n0.870898 0.870898 0.250000 Al\n0.129102 0.129102 0.750000 Al\n0.664780 0.998886 0.425573 Al\n0.000000 0.000000 0.500000 Ir\n0.671790 0.328210 0.500000 Ir\n0.328210 0.671790 0.500000 Ir\n0.328210 0.671790 -0.000000 Ir\n0.671790 0.328210 -0.000000 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 28,
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"elements": [
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"Al",
"Ir"
],
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"density": 8.103230364597,
"density_atomic": 0.05969350454193029,
"volume": 469.06276009196387,
"volume_molar": 10.08843559481399,
"formula_full": "Dy4 Al18 Ir6",
"formula_reduced": "Dy2(Al3Ir)3",
"formula_anonymous": "A2B3C9",
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"spacegroup": 63
},
{
"id": "jvasp-120472",
"created_at": "2022-09-04T14:38:50.898527Z",
"updated_at": "2022-09-04T14:38:50.898545Z",
"structure_string": "Nd2 Al20 Ru4\n1.0\n6.876896 0.011389 0.000000\n-0.814292 6.828525 0.000000\n0.000000 0.000000 9.216241\nNd Al Ru\n2 20 4\ndirect\n0.874698 0.125302 0.750000 Nd\n0.125303 0.874698 0.250000 Nd\n0.481875 0.219004 0.250000 Al\n0.518126 0.780997 0.750000 Al\n0.780997 0.518126 0.250000 Al\n0.219004 0.481875 0.750000 Al\n0.586743 0.856298 0.250000 Al\n0.413257 0.143703 0.750000 Al\n0.143703 0.413257 0.250000 Al\n0.856298 0.586743 0.750000 Al\n0.841072 0.158929 0.398222 Al\n0.158929 0.841072 0.601778 Al\n0.841072 0.158929 0.101778 Al\n0.226408 0.226408 -0.000000 Al\n0.773593 0.773593 -0.000000 Al\n0.773593 0.773593 0.500000 Al\n0.226408 0.226408 0.500000 Al\n0.623251 0.376749 0.952585 Al\n0.376749 0.623252 0.047415 Al\n0.376749 0.623252 0.452585 Al\n0.623251 0.376749 0.547415 Al\n0.158929 0.841072 0.898222 Al\n0.500000 0.000000 -0.000000 Ru\n0.000000 0.500000 0.500000 Ru\n0.000000 0.500000 -0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n",
"nsites": 26,
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"elements": [
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],
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"density": 4.727592130995943,
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"volume": 432.8714507671549,
"volume_molar": 10.026203105789296,
"formula_full": "Nd2 Al20 Ru4",
"formula_reduced": "Nd(Al5Ru)2",
"formula_anonymous": "AB2C10",
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"spacegroup": 63
},
{
"id": "jvasp-113654",
"created_at": "2022-09-04T14:38:50.753106Z",
"updated_at": "2022-09-04T14:38:50.753134Z",
"structure_string": "K2 Ag2\n1.0\n6.509758 0.332582 -0.126080\n-1.475912 -4.387836 -0.698259\n-0.135384 0.812295 -4.787030\nK Ag\n2 2\ndirect\n0.127043 0.114472 0.831000 K\n0.546844 0.823905 0.330797 K\n0.714179 0.407463 0.830843 Ag\n-0.040298 0.530846 0.330993 Ag\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.528285228240867,
"density_atomic": 0.02891520216272147,
"volume": 138.33553635523066,
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"formula_full": "K2 Ag2",
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"formula_anonymous": "AB",
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"spacegroup": 63
},
{
"id": "jvasp-119069",
"created_at": "2022-09-04T14:38:50.591237Z",
"updated_at": "2022-09-04T14:38:50.591269Z",
"structure_string": "Tm4 Al18 Ir6\n1.0\n7.515828 0.007054 0.000000\n-3.716026 6.532907 0.000000\n0.000000 0.000000 9.449412\nTm Al Ir\n4 18 6\ndirect\n0.995702 0.671777 0.250000 Tm\n0.004298 0.328223 0.750000 Tm\n0.671777 0.995702 0.250000 Tm\n0.328223 0.004298 0.750000 Tm\n0.450892 0.660739 0.750000 Al\n0.549108 0.339261 0.250000 Al\n0.660739 0.450892 0.750000 Al\n0.339261 0.549108 0.250000 Al\n0.333047 0.333047 0.943939 Al\n0.666952 0.666952 0.056061 Al\n0.666952 0.666952 0.443939 Al\n0.333047 0.333047 0.556061 Al\n0.335303 0.000717 0.075243 Al\n0.664696 0.999283 0.575243 Al\n0.000717 0.335304 0.424757 Al\n0.335303 0.000717 0.424757 Al\n0.999283 0.664696 0.575243 Al\n0.999283 0.664696 0.924757 Al\n0.000717 0.335304 0.075243 Al\n0.871217 0.871217 0.750000 Al\n0.128783 0.128783 0.250000 Al\n0.664696 0.999283 0.924757 Al\n0.000000 0.000000 0.000000 Ir\n0.672089 0.327910 -0.000000 Ir\n0.327910 0.672090 -0.000000 Ir\n0.327910 0.672090 0.500000 Ir\n0.672089 0.327910 0.500000 Ir\n0.000000 0.000000 0.500000 Ir\n",
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],
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"density_atomic": 0.060316779549200006,
"volume": 464.2157656504287,
"volume_molar": 9.984188156278766,
"formula_full": "Tm4 Al18 Ir6",
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{
"id": "jvasp-117085",
"created_at": "2022-09-04T14:38:50.200986Z",
"updated_at": "2022-09-04T14:38:50.201003Z",
"structure_string": "Li2 V2 Ni2 O8\n1.0\n4.668330 0.000000 2.028107\n-0.000000 6.159700 0.000000\n-0.003284 -0.000000 5.089843\nLi V Ni O\n2 2 2 8\ndirect\n0.335428 0.750000 0.335427 Li\n0.664573 0.250000 0.664572 Li\n0.352307 0.250000 0.352306 V\n0.647694 0.750000 0.647693 V\n0.000000 0.500000 -0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.234783 0.025708 0.234783 O\n0.234783 0.474292 0.234783 O\n0.765218 0.974292 0.765217 O\n0.765218 0.525708 0.765217 O\n0.731904 0.250000 0.233935 O\n0.766066 0.750000 0.268097 O\n0.233935 0.250000 0.731903 O\n0.268098 0.750000 0.766065 O\n",
"nsites": 14,
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],
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"density_atomic": 0.09562706419761978,
"volume": 146.4020684674378,
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"formula_full": "Li2 V2 Ni2 O8",
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"spacegroup": 63
},
{
"id": "jvasp-113583",
"created_at": "2022-09-04T14:38:50.360135Z",
"updated_at": "2022-09-04T14:38:50.360162Z",
"structure_string": "Sc2 Ag2 S2\n1.0\n1.858753 -4.135180 -0.000000\n1.858753 4.135180 0.000000\n0.000000 -0.000000 8.923020\nSc Ag S\n2 2 2\ndirect\n0.428664 0.571335 0.250000 Sc\n0.571335 0.428664 0.750000 Sc\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.269683 0.730316 0.750000 S\n0.730316 0.269683 0.250000 S\n",
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"formula_full": "Sc2 Ag2 S2",
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"formula_anonymous": "ABC",
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"spacegroup": 63
},
{
"id": "jvasp-119036",
"created_at": "2022-09-04T14:38:50.040421Z",
"updated_at": "2022-09-04T14:38:50.040448Z",
"structure_string": "Tb6 Mn2 B14\n1.0\n8.084872 0.003709 0.000000\n-7.345936 3.376745 0.000000\n0.000000 0.000000 9.323465\nTb Mn B\n6 2 14\ndirect\n0.896034 0.103966 0.439121 Tb\n0.103964 0.896033 0.560879 Tb\n0.896034 0.103966 0.060879 Tb\n0.103964 0.896033 0.939122 Tb\n0.240908 0.759090 0.250000 Tb\n0.759090 0.240909 0.750000 Tb\n0.054257 0.945741 0.250000 Mn\n0.945742 0.054258 0.750000 Mn\n0.477793 0.522206 0.599053 B\n0.522206 0.477793 0.400947 B\n0.477793 0.522206 0.900947 B\n0.522206 0.477793 0.099053 B\n0.370028 0.629970 0.653043 B\n0.629970 0.370029 0.346958 B\n0.727151 0.272848 0.032744 B\n0.629970 0.370029 0.153044 B\n0.272847 0.727151 0.967257 B\n0.461280 0.538719 0.250000 B\n0.272847 0.727151 0.532744 B\n0.727151 0.272848 0.467256 B\n0.370028 0.629970 0.846958 B\n0.538719 0.461280 0.750000 B\n",
"nsites": 22,
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"elements": [
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],
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"density": 7.917089288826832,
"density_atomic": 0.0863456991176466,
"volume": 254.78976051864322,
"volume_molar": 6.974453645681637,
"formula_full": "Tb6 Mn2 B14",
"formula_reduced": "Tb3MnB7",
"formula_anonymous": "AB3C7",
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"spacegroup": 63
},
{
"id": "jvasp-114088",
"created_at": "2022-09-04T14:38:50.017348Z",
"updated_at": "2022-09-04T14:38:50.017382Z",
"structure_string": "Ba2 Te2\n1.0\n5.985515 0.581247 -0.120127\n0.691430 -6.846113 1.311480\n2.315464 6.180867 -6.368303\nBa Te\n2 2\ndirect\n0.129687 0.051273 -0.018528 Ba\n0.793847 0.224772 0.654996 Ba\n0.793603 0.725668 0.655884 Te\n0.129933 0.550389 0.980584 Te\n",
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],
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"volume": 214.344936540077,
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"formula_full": "Ba2 Te2",
"formula_reduced": "BaTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.09583,
"spacegroup": 63
}
]
}