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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=141",
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{
"id": "jvasp-110484",
"created_at": "2022-09-04T14:38:40.043776Z",
"updated_at": "2022-09-04T14:38:40.043803Z",
"structure_string": "Zn3 Si1\n1.0\n3.618156 0.000228 -3.259684\n-0.716518 3.546499 -3.259684\n-0.000186 -0.000228 4.869969\nZn Si\n3 1\ndirect\n0.750000 0.250000 0.500001 Zn\n0.249999 0.750000 0.500001 Zn\n0.500000 0.500000 0.000001 Zn\n0.000000 0.000000 0.000000 Si\n",
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{
"id": "jvasp-80104",
"created_at": "2022-09-04T14:37:05.724163Z",
"updated_at": "2022-09-04T14:37:05.724191Z",
"structure_string": "Zn3 Sb1\n1.0\n-2.106037 2.106037 4.389661\n2.106037 -2.106037 4.389661\n2.106037 2.106037 -4.389661\nZn Sb\n3 1\ndirect\n0.750000 0.250000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n0.499999 0.499999 0.000000 Zn\n0.000000 0.000000 0.000000 Sb\n",
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"formula_full": "Zn3 Sb1",
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{
"id": "jvasp-19686",
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"updated_at": "2022-09-04T14:38:32.248985Z",
"structure_string": "Zn6 Ru2\n1.0\n3.683910 0.000000 -0.867719\n-0.204385 3.678236 -0.867719\n0.001493 0.001578 8.260230\nZn Ru\n6 2\ndirect\n0.629090 0.629091 0.258180 Zn\n0.370908 0.370910 0.741820 Zn\n0.500000 -0.000000 -0.000000 Zn\n-0.000001 0.500001 -0.000000 Zn\n0.749999 0.250001 0.500000 Zn\n0.249999 0.750001 0.500000 Zn\n0.882668 0.882671 0.765339 Ru\n0.117330 0.117330 0.234661 Ru\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"density_atomic": 0.07146774826873453,
"volume": 111.938604388629,
"volume_molar": 8.426375401328471,
"formula_full": "Zn6 Ru2",
"formula_reduced": "Zn3Ru",
"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-37553",
"created_at": "2022-09-04T14:37:54.689511Z",
"updated_at": "2022-09-04T14:37:54.689534Z",
"structure_string": "Zn6 Rh2\n1.0\n2.712852 -4.698797 0.000000\n2.712852 4.698797 -0.000000\n0.000000 0.000000 4.401445\nZn Rh\n6 2\ndirect\n0.662029 0.831015 0.250000 Zn\n0.168984 0.831015 0.250000 Zn\n0.168985 0.337971 0.250000 Zn\n0.337971 0.168985 0.750001 Zn\n0.831015 0.168984 0.750001 Zn\n0.831015 0.662029 0.750001 Zn\n0.333333 0.666667 0.750001 Rh\n0.666667 0.333333 0.250000 Rh\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zn",
"Rh"
],
"chemical_system": "Rh-Zn",
"density": 8.853288863437115,
"density_atomic": 0.07129382697364346,
"volume": 112.21167862061202,
"volume_molar": 8.446931544615103,
"formula_full": "Zn6 Rh2",
"formula_reduced": "Zn3Rh",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0032249999999999,
"spacegroup": 194
},
{
"id": "jvasp-41492",
"created_at": "2022-09-04T14:37:46.017815Z",
"updated_at": "2022-09-04T14:37:46.017834Z",
"structure_string": "Zn3 Rh1\n1.0\n-1.855531 1.855531 4.083763\n1.855531 -1.855531 4.083763\n1.855531 1.855531 -4.083763\nZn Rh\n3 1\ndirect\n0.750000 0.250001 0.500000 Zn\n0.250001 0.750000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"Rh"
],
"chemical_system": "Rh-Zn",
"density": 8.831932636373342,
"density_atomic": 0.07112184939778658,
"volume": 56.24150712993813,
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"formula_full": "Zn3 Rh1",
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"spacegroup": 139
},
{
"id": "jvasp-41499",
"created_at": "2022-09-04T14:37:44.181150Z",
"updated_at": "2022-09-04T14:37:44.181176Z",
"structure_string": "Zn3 Pt1\n1.0\n-1.896588 1.896588 4.038204\n1.896588 -1.896588 4.038204\n1.896588 1.896588 -4.038204\nZn Pt\n3 1\ndirect\n0.749998 0.250000 0.499999 Zn\n0.250000 0.749998 0.499999 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Pt"
],
"chemical_system": "Pt-Zn",
"density": 11.183478601275477,
"density_atomic": 0.06884394494057465,
"volume": 58.10242285581915,
"volume_molar": 8.747524223369602,
"formula_full": "Zn3 Pt1",
"formula_reduced": "Zn3Pt",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-59103",
"created_at": "2022-09-04T14:38:29.035755Z",
"updated_at": "2022-09-04T14:38:29.035766Z",
"structure_string": "Zn6 P4 S16\n1.0\n7.795668 0.000000 -0.000000\n0.000000 7.795668 0.000000\n-0.000000 0.000000 9.207524\nZn P S\n6 4 16\ndirect\n0.000000 0.500000 0.484100 Zn\n0.500000 0.000000 0.515900 Zn\n0.000000 0.500000 0.015900 Zn\n0.500000 0.000000 0.984100 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.243512 0.256488 0.250000 P\n0.256488 0.756488 0.750000 P\n0.756488 0.743512 0.250000 P\n0.743512 0.243512 0.750000 P\n0.233535 0.969721 0.874849 S\n0.530279 0.266465 0.625150 S\n0.469721 0.733535 0.625150 S\n0.266465 0.469721 0.374850 S\n0.733535 0.530279 0.374850 S\n0.030279 0.233535 0.125150 S\n0.766465 0.030279 0.874849 S\n0.747907 0.982304 0.359329 S\n0.982304 0.252093 0.640670 S\n0.017696 0.747907 0.640670 S\n0.252093 0.017696 0.359329 S\n0.517696 0.752093 0.140671 S\n0.247907 0.517696 0.859329 S\n0.482304 0.247907 0.140671 S\n0.969721 0.766465 0.125150 S\n0.752093 0.482304 0.859329 S\n",
"nsites": 26,
"nelements": 3,
"elements": [
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"P",
"S"
],
"chemical_system": "P-S-Zn",
"density": 3.054774177860576,
"density_atomic": 0.04646477280974751,
"volume": 559.5636958445571,
"volume_molar": 12.960659002160577,
"formula_full": "Zn6 P4 S16",
"formula_reduced": "Zn3(PS4)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 1.5077863230769233,
"spacegroup": 118
},
{
"id": "jvasp-39018",
"created_at": "2022-09-04T14:37:55.971903Z",
"updated_at": "2022-09-04T14:37:55.971931Z",
"structure_string": "Zn6 P4 O16\n1.0\n0.000000 4.930331 0.039510\n9.314353 0.000000 0.000000\n0.000000 -4.899345 -6.524862\nZn P O\n6 4 16\ndirect\n0.832547 0.370621 0.840851 Zn\n0.167451 0.870621 0.659149 Zn\n0.167452 0.629379 0.159149 Zn\n0.832548 0.129379 0.340851 Zn\n0.000000 0.000000 0.000000 Zn\n-0.000001 0.500000 0.500000 Zn\n0.661641 0.816286 0.160649 P\n0.338358 0.316287 0.339351 P\n0.661641 0.683713 0.660649 P\n0.338357 0.183713 0.839351 P\n0.941221 0.678134 0.626899 O\n0.680680 0.120972 0.031668 O\n0.319319 0.620972 0.468331 O\n0.941222 0.821865 0.126899 O\n0.058777 0.321865 0.373101 O\n0.058776 0.178135 0.873101 O\n0.779769 0.912671 0.348248 O\n0.395209 0.159791 0.304556 O\n0.220230 0.087328 0.651752 O\n0.779768 0.587328 0.848248 O\n0.604790 0.659791 0.195444 O\n0.680679 0.379027 0.531668 O\n0.395209 0.340209 0.804556 O\n0.604789 0.840209 0.695444 O\n0.220230 0.412671 0.151752 O\n0.319319 0.879027 0.968331 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Zn",
"P",
"O"
],
"chemical_system": "O-P-Zn",
"density": 4.306043018301349,
"density_atomic": 0.08729601064977222,
"volume": 297.83720706677957,
"volume_molar": 6.898529171236205,
"formula_full": "Zn6 P4 O16",
"formula_reduced": "Zn3(PO4)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 1.7814954,
"spacegroup": 14
},
{
"id": "jvasp-79936",
"created_at": "2022-09-04T14:37:17.162660Z",
"updated_at": "2022-09-04T14:37:17.162688Z",
"structure_string": "Zn3 Pd1\n1.0\n-1.881875 1.881875 4.092049\n1.881875 -1.881875 4.092049\n1.881875 1.881875 -4.092049\nZn Pd\n3 1\ndirect\n0.750000 0.249999 0.500001 Zn\n0.249999 0.750000 0.500001 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"Pd"
],
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"density": 8.669680805901807,
"density_atomic": 0.0690045342269424,
"volume": 57.96720526863906,
"volume_molar": 8.727166739788952,
"formula_full": "Zn3 Pd1",
"formula_reduced": "Zn3Pd",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-104903",
"created_at": "2022-09-04T14:36:47.170595Z",
"updated_at": "2022-09-04T14:36:47.170612Z",
"structure_string": "Zn3 P1 Br3\n1.0\n4.041715 -0.000000 0.000000\n0.000000 6.609176 0.076449\n0.000000 -0.046026 6.920494\nZn P Br\n3 1 3\ndirect\n-0.000000 0.470777 0.692784 Zn\n0.499999 0.505966 0.123161 Zn\n0.499999 0.027027 0.855964 Zn\n0.499999 0.372561 0.818620 P\n-0.000000 0.870131 0.671033 Br\n0.499999 0.872973 0.181200 Br\n-0.000000 0.376564 0.323887 Br\n",
"nsites": 7,
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"elements": [
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"P",
"Br"
],
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"density": 4.193738375253419,
"density_atomic": 0.03786295730032377,
"volume": 184.87726525101996,
"volume_molar": 15.9050987809357,
"formula_full": "Zn3 P1 Br3",
"formula_reduced": "Zn3PBr3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.0,
"spacegroup": 6
},
{
"id": "jvasp-58377",
"created_at": "2022-09-04T14:37:28.244037Z",
"updated_at": "2022-09-04T14:37:28.244057Z",
"structure_string": "Zn6 P4\n1.0\n5.730438 0.000000 0.000000\n0.000000 5.730438 -0.000000\n0.000000 0.000000 5.730438\nZn P\n6 4\ndirect\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.500000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.250000 0.750000 0.750000 P\n0.750000 0.750000 0.250000 P\n0.750000 0.250000 0.750000 P\n0.250000 0.250000 0.250000 P\n",
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"volume": 188.17566272848242,
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"formula_full": "Zn6 P4",
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"spacegroup": 224
},
{
"id": "jvasp-1213",
"created_at": "2022-09-04T14:36:33.904427Z",
"updated_at": "2022-09-04T14:36:33.904445Z",
"structure_string": "Zn24 P16\n1.0\n8.143087 0.000000 0.000000\n0.000000 8.143087 0.000000\n0.000000 0.000000 11.506655\nZn P\n24 16\ndirect\n0.500000 0.713739 0.603456 Zn\n0.253659 0.500000 0.847682 Zn\n0.746342 0.500000 0.847682 Zn\n0.500000 0.253659 0.152318 Zn\n0.000000 0.246342 0.347682 Zn\n0.246342 0.000000 0.652317 Zn\n0.753659 0.000000 0.652317 Zn\n0.500000 0.746342 0.152318 Zn\n0.212905 0.500000 0.112690 Zn\n0.787095 0.500000 0.112690 Zn\n0.500000 0.212905 0.887310 Zn\n0.000000 0.287095 0.612689 Zn\n0.000000 0.753659 0.347682 Zn\n0.287095 0.000000 0.387310 Zn\n0.000000 0.712905 0.612689 Zn\n0.786262 0.000000 0.103456 Zn\n0.213739 0.000000 0.103456 Zn\n0.000000 0.213739 0.896544 Zn\n0.000000 0.786262 0.896544 Zn\n0.713739 0.500000 0.396544 Zn\n0.286262 0.500000 0.396544 Zn\n0.500000 0.787095 0.887310 Zn\n0.712905 0.000000 0.387310 Zn\n0.500000 0.286262 0.603456 Zn\n0.754996 0.245004 0.500000 P\n0.754996 0.754996 0.500000 P\n0.745004 0.745004 0.000000 P\n0.245004 0.245004 0.500000 P\n0.254996 0.745004 0.000000 P\n0.745004 0.254996 0.000000 P\n0.000000 0.500000 0.252711 P\n0.000000 0.000000 0.756287 P\n0.500000 0.000000 0.247289 P\n0.500000 0.000000 0.747289 P\n0.500000 0.500000 0.256288 P\n0.000000 0.000000 0.243712 P\n0.500000 0.500000 0.743712 P\n0.245004 0.754996 0.500000 P\n0.000000 0.500000 0.752711 P\n0.254996 0.254996 0.000000 P\n",
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],
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"density": 4.494953753994825,
"density_atomic": 0.05242431322464993,
"volume": 763.0047498875385,
"volume_molar": 11.487305010928377,
"formula_full": "Zn24 P16",
"formula_reduced": "Zn3P2",
"formula_anonymous": "A2B3",
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"spacegroup": 137
}
]
}