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=-density&page=3575",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3573",
"results": [
{
"id": "jvasp-17949",
"created_at": "2022-09-04T14:37:33.382451Z",
"updated_at": "2022-09-04T14:37:33.382484Z",
"structure_string": "Mn3 In1 C1\n1.0\n5.024112 0.000000 0.000000\n-0.000000 5.024112 0.000000\n-0.000000 -0.000000 5.024112\nMn In C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"In",
"C"
],
"chemical_system": "C-In-Mn",
"density": 3.818760939499805,
"density_atomic": 0.039426848793327945,
"volume": 126.81713484660055,
"volume_molar": 15.27421273652259,
"formula_full": "Mn3 In1 C1",
"formula_reduced": "Mn3InC",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.374182338827586,
"spacegroup": 221
},
{
"id": "jvasp-45067",
"created_at": "2022-09-04T14:38:08.296204Z",
"updated_at": "2022-09-04T14:38:08.296222Z",
"structure_string": "Mg4 Fe2 O8\n1.0\n0.000000 4.184086 4.184086\n-4.184116 4.184086 0.000000\n-0.000000 -4.184086 4.184086\nMg Fe O\n4 2 8\ndirect\n0.375000 0.750001 0.375000 Mg\n0.875001 0.750001 0.375000 Mg\n0.375000 0.250000 0.875001 Mg\n0.375000 0.250000 0.375000 Mg\n0.750001 0.500000 0.750001 Fe\n0.000000 0.000000 0.000000 Fe\n0.623422 0.753157 0.623435 O\n0.623422 0.753157 0.129722 O\n0.126578 0.746845 0.126565 O\n0.126578 0.746845 0.620279 O\n0.620279 0.253156 0.126578 O\n0.126565 0.253156 0.126578 O\n0.623435 0.246844 0.623422 O\n0.129722 0.246844 0.623422 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"O"
],
"chemical_system": "Fe-Mg-O",
"density": 3.8187558659007945,
"density_atomic": 0.09556373574723274,
"volume": 146.4990866099058,
"volume_molar": 6.301700862687742,
"formula_full": "Mg4 Fe2 O8",
"formula_reduced": "Mg2FeO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.538309657142857,
"spacegroup": 227
},
{
"id": "jvasp-10547",
"created_at": "2022-09-04T14:37:09.748263Z",
"updated_at": "2022-09-04T14:37:09.748273Z",
"structure_string": "Sr6 B2 P2 O6\n1.0\n2.643352 -4.578419 -0.000000\n2.643352 4.578419 0.000000\n-0.000000 0.000000 12.670607\nSr B P O\n6 2 2 6\ndirect\n0.333333 0.666667 0.400274 Sr\n0.000000 0.000000 0.250000 Sr\n0.000000 0.000000 0.750000 Sr\n0.666667 0.333333 0.900274 Sr\n0.666667 0.333333 0.599727 Sr\n0.333333 0.666667 0.099727 Sr\n0.333333 0.666667 0.750000 B\n0.666667 0.333333 0.250000 B\n0.000000 0.000000 0.000000 P\n0.000000 0.000000 0.500000 P\n0.515385 0.484614 0.250000 O\n0.969229 0.484614 0.250000 O\n0.484614 0.969229 0.750000 O\n0.515385 0.030771 0.250000 O\n0.030771 0.515385 0.750000 O\n0.484614 0.515385 0.750000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Sr",
"B",
"P",
"O"
],
"chemical_system": "B-O-P-Sr",
"density": 3.818707223441018,
"density_atomic": 0.05217014353171814,
"volume": 306.68882462001284,
"volume_molar": 11.543270446129192,
"formula_full": "Sr6 B2 P2 O6",
"formula_reduced": "Sr3BPO3",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 1.5742346891666663,
"spacegroup": 194
},
{
"id": "jvasp-26814",
"created_at": "2022-09-04T14:38:27.910252Z",
"updated_at": "2022-09-04T14:38:27.910267Z",
"structure_string": "Ba1 Zr1 P2 O8\n1.0\n5.044597 -0.030622 0.249058\n2.210465 4.534617 0.249058\n0.027268 0.016928 7.934072\nBa Zr P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Zr\n0.634076 0.634078 0.221043 P\n0.365923 0.365924 0.778957 P\n0.313347 0.313348 0.599410 O\n0.686652 0.686654 0.400590 O\n0.767473 0.296877 0.191498 O\n0.296875 0.767474 0.191498 O\n0.769086 0.769087 0.082548 O\n0.232527 0.703125 0.808502 O\n0.230913 0.230914 0.917452 O\n0.703124 0.232528 0.808502 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Zr",
"P",
"O"
],
"chemical_system": "Ba-O-P-Zr",
"density": 3.8185116093931724,
"density_atomic": 0.065938234467019,
"volume": 181.98849418696767,
"volume_molar": 9.133002739119677,
"formula_full": "Ba1 Zr1 P2 O8",
"formula_reduced": "BaZr(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.7312416225,
"spacegroup": 12
},
{
"id": "jvasp-13918",
"created_at": "2022-09-04T14:38:05.822351Z",
"updated_at": "2022-09-04T14:38:05.822367Z",
"structure_string": "Na1 Sn1 S2\n1.0\n3.350984 -0.280952 6.282791\n1.351064 3.079392 6.282791\n-0.472066 -0.280952 7.104907\nNa Sn S\n1 1 2\ndirect\n0.499998 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Sn\n0.255218 0.255219 0.255220 S\n0.744778 0.744781 0.744783 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Sn",
"S"
],
"chemical_system": "Na-S-Sn",
"density": 3.8184805436611917,
"density_atomic": 0.04468824390492122,
"volume": 89.50899946998156,
"volume_molar": 13.47589485237486,
"formula_full": "Na1 Sn1 S2",
"formula_reduced": "NaSnS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6725601750000001,
"spacegroup": 166
},
{
"id": "jvasp-18455",
"created_at": "2022-09-04T14:37:12.273608Z",
"updated_at": "2022-09-04T14:37:12.273637Z",
"structure_string": "Na1 Sn1 S2\n1.0\n3.350984 -0.280952 6.282791\n1.351064 3.079392 6.282791\n-0.472066 -0.280952 7.104907\nNa Sn S\n1 1 2\ndirect\n0.499998 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Sn\n0.255218 0.255219 0.255220 S\n0.744778 0.744781 0.744783 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Sn",
"S"
],
"chemical_system": "Na-S-Sn",
"density": 3.8184805436611917,
"density_atomic": 0.04468824390492122,
"volume": 89.50899946998156,
"volume_molar": 13.47589485237486,
"formula_full": "Na1 Sn1 S2",
"formula_reduced": "NaSnS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6725601750000001,
"spacegroup": 166
},
{
"id": "jvasp-55008",
"created_at": "2022-09-04T14:37:30.360196Z",
"updated_at": "2022-09-04T14:37:30.360213Z",
"structure_string": "K2 Ti2 P2 Se10\n1.0\n6.553757 0.005552 -0.848917\n-0.360892 6.851276 -2.741332\n0.010767 -0.008414 9.933503\nK Ti P Se\n2 2 2 10\ndirect\n0.764954 0.268117 0.536232 K\n0.235047 0.731884 0.463768 K\n0.000000 0.723927 0.000000 Ti\n0.000000 0.276073 0.000000 Ti\n0.214419 0.137942 0.275882 P\n0.785582 0.862059 0.724118 P\n0.117588 0.914417 0.828834 Se\n0.187897 0.438223 0.876443 Se\n0.660597 0.156368 0.827703 Se\n0.882413 0.085584 0.171166 Se\n0.339404 0.843633 0.172297 Se\n0.660597 0.671336 0.827703 Se\n0.812104 0.561778 0.123557 Se\n0.257722 0.257260 0.514517 Se\n0.339404 0.328665 0.172297 Se\n0.742280 0.742741 0.485483 Se\n",
"nsites": 16,
"nelements": 4,
"elements": [
"K",
"Ti",
"P",
"Se"
],
"chemical_system": "K-P-Se-Ti",
"density": 3.818394375842844,
"density_atomic": 0.03587775556131045,
"volume": 445.958777233377,
"volume_molar": 16.785165810355497,
"formula_full": "K2 Ti2 P2 Se10",
"formula_reduced": "KTiPSe5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 1.7716860833333334,
"spacegroup": 12
},
{
"id": "jvasp-8398",
"created_at": "2022-09-04T14:37:12.646100Z",
"updated_at": "2022-09-04T14:37:12.646132Z",
"structure_string": "Mo2 S4\n1.0\n4.768046 -0.000000 -2.168558\n-0.986282 4.664921 -2.168559\n-0.019961 -0.024623 6.282182\nMo S\n2 4\ndirect\n0.250001 0.750000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.866541 0.875000 0.250000 S\n0.625001 0.133461 0.750000 S\n0.383461 0.375000 0.250000 S\n0.125001 0.616540 0.750000 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mo",
"S"
],
"chemical_system": "Mo-S",
"density": 3.818381114401402,
"density_atomic": 0.043096448842751475,
"volume": 139.22260792049363,
"volume_molar": 13.973635697858393,
"formula_full": "Mo2 S4",
"formula_reduced": "MoS2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.788215299999999,
"spacegroup": 122
},
{
"id": "jvasp-77302",
"created_at": "2022-09-04T14:37:57.278374Z",
"updated_at": "2022-09-04T14:37:57.278395Z",
"structure_string": "Na1 Li2 Tl1\n1.0\n-10.347273 0.000000 -5.974000\n-6.625196 -1.435691 -0.472826\n-4.980699 3.215650 -3.321179\nNa Li Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.735245 -0.000000 -0.000000 Li\n0.264755 -0.000000 -0.000000 Li\n0.500000 -0.000000 -0.000000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Li",
"Tl"
],
"chemical_system": "Li-Na-Tl",
"density": 3.8182632400511696,
"density_atomic": 0.038124162558559424,
"volume": 104.92033743314165,
"volume_molar": 15.796126015226903,
"formula_full": "Na1 Li2 Tl1",
"formula_reduced": "NaLi2Tl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.049952375,
"spacegroup": 71
},
{
"id": "jvasp-98455",
"created_at": "2022-09-04T14:36:00.832648Z",
"updated_at": "2022-09-04T14:36:00.832673Z",
"structure_string": "As4 P4 O20\n1.0\n4.598490 0.000000 0.000000\n0.000000 8.201363 0.000000\n0.000000 0.000000 8.574804\nAs P O\n4 4 20\ndirect\n0.128332 0.899678 0.348442 As\n0.371668 0.399678 0.651557 As\n0.871668 0.600322 0.848442 As\n0.628332 0.100322 0.151558 As\n0.140954 0.283103 0.967448 P\n0.640954 0.716896 0.532552 P\n0.359046 0.783103 0.032552 P\n0.859047 0.216897 0.467448 P\n0.078133 0.774862 0.931976 O\n0.578133 0.225138 0.568023 O\n0.421867 0.274862 0.068023 O\n0.921867 0.725138 0.431976 O\n0.581494 0.648460 -0.005311 O\n0.081494 0.351540 0.505311 O\n0.294947 0.751008 0.208984 O\n0.828242 0.924303 0.214358 O\n0.328242 0.075697 0.285642 O\n0.671758 0.424303 0.785641 O\n0.171758 0.575696 0.714358 O\n0.534499 0.539812 0.499610 O\n0.034499 0.460188 0.000390 O\n0.965501 0.039812 0.500390 O\n0.465501 0.960188 -0.000390 O\n0.705053 0.748991 0.708984 O\n0.205053 0.251008 0.791016 O\n0.794947 0.248992 0.291016 O\n0.418506 0.851540 0.494689 O\n0.918506 0.148460 0.005311 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"As",
"P",
"O"
],
"chemical_system": "As-O-P",
"density": 3.8180811230849825,
"density_atomic": 0.08658298383977596,
"volume": 323.3891783149299,
"volume_molar": 6.955339828833027,
"formula_full": "As4 P4 O20",
"formula_reduced": "AsPO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 2.592980678571428,
"spacegroup": 19
},
{
"id": "jvasp-39318",
"created_at": "2022-09-04T14:37:47.179087Z",
"updated_at": "2022-09-04T14:37:47.179103Z",
"structure_string": "Mg1 As1\n1.0\n2.039970 -3.533330 -0.000000\n2.039970 3.533330 -0.000000\n-0.000000 0.000000 2.993774\nMg As\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.499999 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"As"
],
"chemical_system": "As-Mg",
"density": 3.8178619300499776,
"density_atomic": 0.04634181147585765,
"volume": 43.15757058918435,
"volume_molar": 12.995048247385215,
"formula_full": "Mg1 As1",
"formula_reduced": "MgAs",
"formula_anonymous": "AB",
"energy_above_hull": 0.2662953999999999,
"spacegroup": 187
},
{
"id": "jvasp-114033",
"created_at": "2022-09-04T14:38:49.653252Z",
"updated_at": "2022-09-04T14:38:49.653284Z",
"structure_string": "Ba1 Cd1 Se1\n1.0\n6.889630 -1.284602 0.000000\n-0.635002 4.453577 0.000000\n0.000000 0.000000 4.786680\nBa Cd Se\n1 1 1\ndirect\n-0.179075 -0.209469 0.000000 Ba\n0.412199 0.086200 0.000000 Cd\n0.140913 0.450353 0.000000 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Se"
],
"chemical_system": "Ba-Cd-Se",
"density": 3.8177626433957905,
"density_atomic": 0.020983794274450445,
"volume": 142.96747102847627,
"volume_molar": 28.699007821156865,
"formula_full": "Ba1 Cd1 Se1",
"formula_reduced": "BaCdSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1284848894444443,
"spacegroup": 38
}
]
}