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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=425",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=423",
"results": [
{
"id": "jvasp-119626",
"created_at": "2022-09-04T14:38:52.614918Z",
"updated_at": "2022-09-04T14:38:52.614943Z",
"structure_string": "La12 Ir4 Br12\n1.0\n9.937873 -0.000000 -3.513569\n-4.968937 8.606451 -3.513569\n-0.000000 -0.000000 10.540706\nLa Ir Br\n12 4 12\ndirect\n0.263831 0.750000 0.236168 La\n0.486168 0.750000 0.013831 La\n0.236168 0.472336 0.486168 La\n0.013832 0.027663 0.263832 La\n0.236168 0.263832 0.750000 La\n0.013832 0.486168 0.750000 La\n0.486168 0.236168 0.472337 La\n0.263832 0.013832 0.027663 La\n0.750000 0.236168 0.263832 La\n0.750000 0.013832 0.486168 La\n0.472336 0.486168 0.236168 La\n0.027663 0.263832 0.013832 La\n0.250000 0.250000 0.250000 Ir\n-0.000000 0.250000 0.500000 Ir\n0.250000 0.500000 -0.000000 Ir\n0.500000 0.000000 0.250000 Ir\n0.250000 0.990738 0.509262 Br\n0.518523 0.509262 0.759262 Br\n0.250000 0.759262 0.740738 Br\n0.981476 0.740738 0.990738 Br\n0.990738 0.509262 0.250000 Br\n0.740738 0.990738 0.981477 Br\n0.759261 0.740738 0.250000 Br\n0.509261 0.759262 0.518523 Br\n0.509261 0.250000 0.990738 Br\n0.759261 0.518523 0.509262 Br\n0.740738 0.250000 0.759262 Br\n0.990738 0.981477 0.740738 Br\n",
"nsites": 28,
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"elements": [
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"Ir",
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],
"chemical_system": "Br-Ir-La",
"density": 6.252419549097197,
"density_atomic": 0.031057807099641035,
"volume": 901.5446554281556,
"volume_molar": 19.390102915764466,
"formula_full": "La12 Ir4 Br12",
"formula_reduced": "La3IrBr3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.3996369164285714,
"spacegroup": 214
},
{
"id": "jvasp-12480",
"created_at": "2022-09-04T14:38:11.053355Z",
"updated_at": "2022-09-04T14:38:11.053378Z",
"structure_string": "Rb2 Pb4 Br10\n1.0\n7.565556 0.000000 -3.796652\n-1.905289 7.321716 -3.796652\n-0.041312 -0.053439 9.353913\nRb Pb Br\n2 4 10\ndirect\n0.250000 0.250000 0.500000 Rb\n0.750001 0.750000 0.500001 Rb\n0.336743 0.163257 0.000000 Pb\n0.163257 0.663257 0.000000 Pb\n0.663257 0.836744 0.000001 Pb\n0.836744 0.336743 0.000001 Pb\n0.208721 0.708721 0.724519 Br\n0.484203 0.984204 0.275482 Br\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.000000 Br\n0.791279 0.291279 0.275481 Br\n0.984204 0.791279 0.275482 Br\n0.291279 0.484203 0.275481 Br\n0.015797 0.208721 0.724519 Br\n0.515797 0.015797 0.724519 Br\n0.708722 0.515797 0.724520 Br\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"Br"
],
"chemical_system": "Br-Pb-Rb",
"density": 5.799089768936765,
"density_atomic": 0.031063739028242724,
"volume": 515.0699980273791,
"volume_molar": 19.386400183586247,
"formula_full": "Rb2 Pb4 Br10",
"formula_reduced": "RbPb2Br5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.01625487875,
"spacegroup": 140
},
{
"id": "jvasp-28842",
"created_at": "2022-09-04T14:37:03.728948Z",
"updated_at": "2022-09-04T14:37:03.728974Z",
"structure_string": "Te2 Mo1 W3 Se2 S4\n1.0\n3.309535 0.000000 0.000000\n-1.654768 2.866157 0.000161\n0.000000 0.002100 40.723856\nTe Mo W Se S\n2 1 3 2 4\ndirect\n0.666693 0.333384 0.421081 Te\n0.666622 0.333241 0.515179 Te\n0.333323 0.666646 0.468147 Mo\n0.333389 0.666777 0.094004 W\n0.666678 0.333354 0.280569 W\n0.666612 0.333223 0.660215 W\n0.333245 0.666489 0.701552 Se\n0.333310 0.666622 0.618762 Se\n0.333315 0.666632 0.318270 S\n0.666753 0.333504 0.056392 S\n0.666693 0.333385 0.131695 S\n0.333374 0.666749 0.242881 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
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"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.11042077757439,
"density_atomic": 0.031064573812473045,
"volume": 386.29211758835595,
"volume_molar": 19.385879221629597,
"formula_full": "Te2 Mo1 W3 Se2 S4",
"formula_reduced": "Te2MoW3(SeS2)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.220089847222222,
"spacegroup": 156
},
{
"id": "jvasp-93725",
"created_at": "2022-09-04T14:35:46.697526Z",
"updated_at": "2022-09-04T14:35:46.697554Z",
"structure_string": "Nd4 Bi2\n1.0\n4.616148 -0.000000 -0.000000\n-0.000000 4.616148 -0.000000\n-2.308074 -2.308074 9.063864\nNd Bi\n4 2\ndirect\n0.500000 0.000000 0.000000 Nd\n0.000000 0.500000 0.000000 Nd\n0.820891 0.820891 0.641781 Nd\n0.179110 0.179110 0.358218 Nd\n0.639262 0.639262 0.278523 Bi\n0.360739 0.360739 0.721477 Bi\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Nd",
"Bi"
],
"chemical_system": "Bi-Nd",
"density": 8.553980789494016,
"density_atomic": 0.03106550522437633,
"volume": 193.1402678522012,
"volume_molar": 19.38529799050098,
"formula_full": "Nd4 Bi2",
"formula_reduced": "Nd2Bi",
"formula_anonymous": "AB2",
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"spacegroup": 139
},
{
"id": "jvasp-115197",
"created_at": "2022-09-04T14:38:45.256753Z",
"updated_at": "2022-09-04T14:38:45.256786Z",
"structure_string": "Li2 I2\n1.0\n4.516823 -0.187116 -0.323268\n-2.379579 -3.775210 0.003035\n1.717605 -3.442548 -7.627345\nLi I\n2 2\ndirect\n0.072502 -0.004736 0.055908 Li\n0.905578 0.161172 0.555917 Li\n0.443703 0.372383 0.680008 I\n0.288027 0.547746 0.180032 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"I"
],
"chemical_system": "I-Li",
"density": 3.452268792215537,
"density_atomic": 0.031065748605853826,
"volume": 128.75916980948807,
"volume_molar": 19.385146118336987,
"formula_full": "Li2 I2",
"formula_reduced": "LiI",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-109386",
"created_at": "2022-09-04T14:38:02.232676Z",
"updated_at": "2022-09-04T14:38:02.232702Z",
"structure_string": "Mg1 Mn3 Te4\n1.0\n4.502335 -0.000000 0.000000\n0.000000 4.502335 0.000000\n-0.000000 -0.000000 12.702415\nMg Mn Te\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.746960 Mn\n0.000000 0.000000 0.500000 Mn\n0.499999 0.499999 0.253040 Mn\n-0.000000 0.499999 0.623536 Te\n0.499999 0.000000 0.376464 Te\n-0.000000 0.499999 0.130941 Te\n0.499999 0.000000 0.869060 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Te"
],
"chemical_system": "Mg-Mn-Te",
"density": 4.511145004283313,
"density_atomic": 0.031069057419226328,
"volume": 257.49091425764965,
"volume_molar": 19.383081626008213,
"formula_full": "Mg1 Mn3 Te4",
"formula_reduced": "MgMn3Te4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.2334264801005745,
"spacegroup": 115
},
{
"id": "jvasp-65150",
"created_at": "2022-09-04T14:35:48.379804Z",
"updated_at": "2022-09-04T14:35:48.379835Z",
"structure_string": "K4 Be1 Rh1\n1.0\n0.000000 4.587691 4.587691\n4.587691 0.000000 4.587691\n4.587691 4.587691 -0.000000\nK Be Rh\n4 1 1\ndirect\n0.126905 0.624365 0.624365 K\n0.624365 0.624365 0.624365 K\n0.624365 0.126905 0.624365 K\n0.624365 0.624365 0.126905 K\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Be",
"Rh"
],
"chemical_system": "Be-K-Rh",
"density": 2.307145120232379,
"density_atomic": 0.03106982296585637,
"volume": 193.113427346966,
"volume_molar": 19.382604035491042,
"formula_full": "K4 Be1 Rh1",
"formula_reduced": "K4BeRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3613985166666664,
"spacegroup": 216
},
{
"id": "jvasp-56854",
"created_at": "2022-09-04T14:37:55.019276Z",
"updated_at": "2022-09-04T14:37:55.019301Z",
"structure_string": "Rb2 Li1 Dy1 Br6\n1.0\n6.676258 -0.000000 -3.820785\n-2.186613 6.308023 -3.820785\n-0.029230 -0.041068 7.692206\nRb Li Dy Br\n2 1 1 6\ndirect\n0.750000 0.250000 0.500001 Rb\n0.250000 0.750000 0.500001 Rb\n0.500000 0.500000 0.000001 Li\n0.000000 0.000000 0.000000 Dy\n0.254107 0.745893 0.000001 Br\n0.254107 0.254107 0.508213 Br\n0.745894 0.745893 0.000001 Br\n0.254107 0.254106 0.000000 Br\n0.745893 0.745893 0.491788 Br\n0.745894 0.254106 0.000001 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Dy",
"Br"
],
"chemical_system": "Br-Dy-Li-Rb",
"density": 4.229587517330993,
"density_atomic": 0.031069959444904614,
"volume": 321.85429844968695,
"volume_molar": 19.382518894750646,
"formula_full": "Rb2 Li1 Dy1 Br6",
"formula_reduced": "Rb2LiDyBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-40278",
"created_at": "2022-09-04T14:37:36.677144Z",
"updated_at": "2022-09-04T14:37:36.677173Z",
"structure_string": "Sr2 Sn1 Hg1\n1.0\n-0.000000 4.007695 4.007695\n4.007695 0.000000 4.007695\n4.007695 4.007695 -0.000000\nSr Sn Hg\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500001 0.500001 0.500001 Sr\n0.750001 0.750001 0.750001 Sn\n0.250001 0.250001 0.250001 Hg\n",
"nsites": 4,
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"elements": [
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"Sn",
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],
"chemical_system": "Hg-Sn-Sr",
"density": 6.378764052038911,
"density_atomic": 0.03107034012171415,
"volume": 128.74014202388847,
"volume_molar": 19.38228141825619,
"formula_full": "Sr2 Sn1 Hg1",
"formula_reduced": "Sr2SnHg",
"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-122844",
"created_at": "2022-09-04T14:38:52.441494Z",
"updated_at": "2022-09-04T14:38:52.441514Z",
"structure_string": "Sm3 Dy1\n1.0\n1.792672 -3.104998 0.000000\n1.792672 3.104998 0.000000\n0.000000 0.000000 11.563256\nSm Dy\n3 1\ndirect\n0.000000 0.000000 0.500000 Sm\n0.333332 0.666667 0.247752 Sm\n0.666667 0.333332 0.752248 Sm\n0.000000 0.000000 0.000000 Dy\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Dy-Sm",
"density": 7.914946729594151,
"density_atomic": 0.031073322683261913,
"volume": 128.72778494829768,
"volume_molar": 19.38042101704145,
"formula_full": "Sm3 Dy1",
"formula_reduced": "Sm3Dy",
"formula_anonymous": "AB3",
"energy_above_hull": 1.49559328125,
"spacegroup": 164
},
{
"id": "jvasp-37454",
"created_at": "2022-09-04T14:38:06.184248Z",
"updated_at": "2022-09-04T14:38:06.184269Z",
"structure_string": "Sm6 Ho2\n1.0\n3.598570 -6.232905 0.000000\n3.598570 6.232905 0.000000\n0.000000 0.000000 5.737898\nSm Ho\n6 2\ndirect\n0.167173 0.832827 0.750000 Sm\n0.665653 0.832827 0.750000 Sm\n0.167173 0.334347 0.750000 Sm\n0.832827 0.167173 0.250000 Sm\n0.334347 0.167173 0.250000 Sm\n0.832827 0.665653 0.250000 Sm\n0.333333 0.666667 0.250000 Ho\n0.666667 0.333333 0.750000 Ho\n",
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"volume": 257.39688217140565,
"volume_molar": 19.376003195266744,
"formula_full": "Sm6 Ho2",
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"spacegroup": 194
},
{
"id": "jvasp-95027",
"created_at": "2022-09-04T14:35:52.031206Z",
"updated_at": "2022-09-04T14:35:52.031234Z",
"structure_string": "Rb4 S2\n1.0\n-2.761551 -4.783110 -0.000000\n-2.761551 4.783110 0.000000\n0.000000 -0.000000 -7.306339\nRb S\n4 2\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Rb\n0.666665 0.333334 0.250000 Rb\n0.333334 0.666665 0.750000 Rb\n0.666669 0.333331 0.750000 S\n0.333331 0.666669 0.250000 S\n",
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],
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"formula_full": "Rb4 S2",
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"spacegroup": 194
}
]
}