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=-updated_at&page=1232",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=1230",
"results": [
{
"id": "jvasp-29666",
"created_at": "2022-09-04T14:38:07.820201Z",
"updated_at": "2022-09-04T14:38:07.820222Z",
"structure_string": "Ti4 Cl12\n1.0\n6.024834 0.000000 0.088991\n3.012417 5.104577 0.044496\n0.143588 0.000000 11.787386\nTi Cl\n4 12\ndirect\n0.521792 0.956417 0.750001 Ti\n0.811985 0.376031 0.750000 Ti\n0.478208 0.043584 0.250000 Ti\n0.188015 0.623970 0.250000 Ti\n0.168513 0.009985 0.864371 Cl\n0.510474 0.666287 0.618865 Cl\n0.176761 0.333714 0.118864 Cl\n0.823239 0.666287 0.881136 Cl\n0.165016 0.321368 0.635483 Cl\n0.834984 0.678633 0.364517 Cl\n0.489526 0.333714 0.381136 Cl\n0.486384 0.678633 0.135483 Cl\n0.178498 -0.009985 0.364371 Cl\n0.513615 0.321368 0.864517 Cl\n0.831487 -0.009985 0.135629 Cl\n0.821502 0.009985 0.635629 Cl\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ti",
"Cl"
],
"chemical_system": "Cl-Ti",
"density": 2.8263274899094584,
"density_atomic": 0.04414441659376284,
"volume": 362.44674263654525,
"volume_molar": 13.641908138504807,
"formula_full": "Ti4 Cl12",
"formula_reduced": "TiCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6166951339583333,
"spacegroup": 15
},
{
"id": "jvasp-29713",
"created_at": "2022-09-04T14:38:07.819254Z",
"updated_at": "2022-09-04T14:38:07.819273Z",
"structure_string": "Zr2 I2 N2\n1.0\n3.691264 0.004343 10.134839\n1.791746 3.227243 10.134839\n0.007368 0.004343 10.786119\nZr I N\n2 2 2\ndirect\n0.792919 0.792915 0.792918 Zr\n0.207083 0.207082 0.207083 Zr\n0.389847 0.389845 0.389847 I\n0.610155 0.610152 0.610154 I\n0.138979 0.138978 0.138979 N\n0.861023 0.861019 0.861023 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"I",
"N"
],
"chemical_system": "I-N-Zr",
"density": 6.019078051572274,
"density_atomic": 0.04684477834770305,
"volume": 128.08257849925764,
"volume_molar": 12.855521943771318,
"formula_full": "Zr2 I2 N2",
"formula_reduced": "ZrIN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.195388008333333,
"spacegroup": 166
},
{
"id": "jvasp-85667",
"created_at": "2022-09-04T14:38:07.815167Z",
"updated_at": "2022-09-04T14:38:07.815193Z",
"structure_string": "Ba4 H4 I4 O4\n1.0\n8.009580 0.000000 0.000000\n0.000000 4.508944 0.000000\n0.000000 0.000000 11.115846\nBa H I O\n4 4 4 4\ndirect\n0.688894 0.250000 0.417053 Ba\n0.188894 0.250000 0.082947 Ba\n0.311106 0.749999 0.582947 Ba\n0.811106 0.749999 0.917053 Ba\n0.780477 0.250000 0.100056 H\n0.280477 0.250000 0.399944 H\n0.219523 0.749999 0.899944 H\n0.719523 0.749999 0.600057 H\n0.531783 0.749999 0.179810 I\n0.031783 0.749999 0.320190 I\n0.468217 0.250000 0.820190 I\n0.968217 0.250000 0.679810 I\n0.865274 0.250000 0.036757 O\n0.365274 0.250000 0.463243 O\n0.134726 0.749999 0.963243 O\n0.634726 0.749999 0.536757 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ba",
"H",
"I",
"O"
],
"chemical_system": "Ba-H-I-O",
"density": 4.653259086255101,
"density_atomic": 0.039855923469255476,
"volume": 401.445973578865,
"volume_molar": 15.109776002669788,
"formula_full": "Ba4 H4 I4 O4",
"formula_reduced": "BaHIO",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.61370393625,
"spacegroup": 62
},
{
"id": "jvasp-37079",
"created_at": "2022-09-04T14:38:07.811817Z",
"updated_at": "2022-09-04T14:38:07.811839Z",
"structure_string": "Sm1 Tl1 Se2\n1.0\n-2.123046 -3.677223 0.000000\n-4.246091 0.000000 0.000000\n-2.123046 -1.225741 -7.706818\nSm Tl Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.499999 0.500001 0.500000 Tl\n0.736627 0.736629 0.790118 Se\n0.263372 0.263373 0.209883 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Tl",
"Se"
],
"chemical_system": "Se-Sm-Tl",
"density": 7.0745196598083435,
"density_atomic": 0.033241118071432936,
"volume": 120.33289588527883,
"volume_molar": 18.11654092698935,
"formula_full": "Sm1 Tl1 Se2",
"formula_reduced": "SmTlSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5571995520833333,
"spacegroup": 166
},
{
"id": "jvasp-51100",
"created_at": "2022-09-04T14:38:07.810087Z",
"updated_at": "2022-09-04T14:38:07.810107Z",
"structure_string": "K1 Fe1 P1\n1.0\n0.000000 3.193855 3.193855\n3.193855 0.000000 3.193855\n3.193855 3.193855 -0.000000\nK Fe P\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Fe\n0.499999 0.499999 0.499999 P\n",
"nsites": 3,
"nelements": 3,
"elements": [
"K",
"Fe",
"P"
],
"chemical_system": "Fe-K-P",
"density": 3.208914142997048,
"density_atomic": 0.04604109805840562,
"volume": 65.15917574759702,
"volume_molar": 13.079924271920248,
"formula_full": "K1 Fe1 P1",
"formula_reduced": "KFeP",
"formula_anonymous": "ABC",
"energy_above_hull": 1.816606333333333,
"spacegroup": 216
},
{
"id": "jvasp-29730",
"created_at": "2022-09-04T14:38:07.803479Z",
"updated_at": "2022-09-04T14:38:07.803498Z",
"structure_string": "Ta3 Te6\n1.0\n3.690441 0.000062 -0.000025\n-1.845241 6.978399 -2.718339\n0.000062 -0.031892 9.534985\nTa Te\n3 6\ndirect\n0.363027 0.720783 0.709039 Ta\n0.640836 0.276376 0.289518 Ta\n0.001914 0.998577 0.999274 Ta\n0.354194 0.703130 0.985539 Te\n0.649647 0.294032 0.013019 Te\n0.706422 0.407618 0.619882 Te\n0.996017 0.986757 0.692089 Te\n0.007855 0.010403 0.306467 Te\n0.297377 0.589546 0.378672 Te\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Ta",
"Te"
],
"chemical_system": "Ta-Te",
"density": 8.859604194956038,
"density_atomic": 0.03669887164762764,
"volume": 245.23914757967214,
"volume_molar": 16.409607406524433,
"formula_full": "Ta3 Te6",
"formula_reduced": "TaTe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.4111582444444446,
"spacegroup": 12
},
{
"id": "jvasp-98803",
"created_at": "2022-09-04T14:38:07.801545Z",
"updated_at": "2022-09-04T14:38:07.801573Z",
"structure_string": "Li2 V6 Te4 O24\n1.0\n6.197119 -0.031710 -0.342787\n-1.832226 6.874078 -0.262933\n0.022107 0.033744 10.710575\nLi V Te O\n2 6 4 24\ndirect\n0.794379 0.759188 0.107399 Li\n0.205621 0.240812 0.892602 Li\n0.379884 0.802857 0.582427 V\n0.620110 0.230687 0.079448 V\n0.379890 0.769313 0.920552 V\n0.661861 0.219318 0.751537 V\n0.620116 0.197143 0.417573 V\n0.338139 0.780681 0.248464 V\n0.838172 0.776692 0.406664 Te\n0.140421 0.183159 0.214112 Te\n0.161828 0.223308 0.593336 Te\n0.859579 0.816841 0.785888 Te\n0.521886 0.161036 0.254233 O\n0.358373 0.269274 0.458152 O\n0.376266 0.280853 0.734441 O\n0.146641 0.877649 0.883487 O\n0.853359 0.122351 0.116514 O\n0.414913 0.839336 0.083280 O\n0.623734 0.719147 0.265560 O\n0.741621 0.461972 0.091047 O\n0.621339 0.121180 0.592665 O\n0.827545 0.438438 0.753401 O\n0.910878 0.100597 0.786625 O\n0.200456 0.588348 0.575679 O\n0.148038 0.942953 0.595146 O\n0.851962 0.057047 0.404854 O\n0.799544 0.411651 0.424321 O\n0.172455 0.561562 0.246600 O\n0.641627 0.730726 0.541848 O\n0.700300 0.775364 0.934706 O\n0.299700 0.224636 0.065294 O\n0.378661 0.878820 0.407336 O\n0.478114 0.838964 0.745768 O\n0.089121 0.899403 0.213376 O\n0.258378 0.538027 0.908954 O\n0.585087 0.160664 0.916720 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Li",
"V",
"Te",
"O"
],
"chemical_system": "Li-O-Te-V",
"density": 4.422737617428121,
"density_atomic": 0.07898701982430453,
"volume": 455.7710884658886,
"volume_molar": 7.624215691888871,
"formula_full": "Li2 V6 Te4 O24",
"formula_reduced": "LiV3(TeO6)2",
"formula_anonymous": "AB2C3D12",
"energy_above_hull": 2.996192785185185,
"spacegroup": 2
},
{
"id": "jvasp-45077",
"created_at": "2022-09-04T14:38:07.801419Z",
"updated_at": "2022-09-04T14:38:07.801449Z",
"structure_string": "Lu4 Co4 O14\n1.0\n-4.859557 4.859557 0.000000\n4.859557 0.000000 4.859557\n4.859557 4.859557 -0.000000\nLu Co O\n4 4 14\ndirect\n0.500000 0.000000 0.000000 Lu\n0.500000 0.000000 0.500000 Lu\n0.500000 0.500000 0.500000 Lu\n0.000000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.330989 0.250000 0.919011 O\n0.375000 0.750000 0.375000 O\n0.669011 0.750000 0.669011 O\n0.080989 0.161978 0.669011 O\n0.080989 0.750000 0.080989 O\n0.919011 0.838022 0.330989 O\n0.669011 0.750000 0.080989 O\n0.625000 0.250000 0.625000 O\n0.330989 0.250000 0.330989 O\n0.330989 0.661979 0.919011 O\n0.669011 0.338022 0.080989 O\n0.919011 0.250000 0.330989 O\n0.919011 0.250000 0.919011 O\n0.080989 0.750000 0.669011 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Lu",
"Co",
"O"
],
"chemical_system": "Co-Lu-O",
"density": 8.38946782944598,
"density_atomic": 0.09585232322182449,
"volume": 229.5197368256469,
"volume_molar": 6.282728010737278,
"formula_full": "Lu4 Co4 O14",
"formula_reduced": "Lu2Co2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.6531952545454547,
"spacegroup": 227
},
{
"id": "jvasp-44908",
"created_at": "2022-09-04T14:38:07.799933Z",
"updated_at": "2022-09-04T14:38:07.799960Z",
"structure_string": "Li1 Cr1 C2 O6\n1.0\n2.308462 1.027591 -3.864070\n-0.000000 4.069853 3.840545\n2.308461 -1.027592 3.864070\nLi Cr C O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.499999 0.500000 0.500000 Cr\n0.244714 0.734144 0.755285 C\n0.755284 0.265856 0.244715 C\n0.042092 0.264011 0.260255 O\n0.517825 0.735988 0.042092 O\n0.260254 0.735988 0.482174 O\n0.739744 0.264011 0.517826 O\n0.482173 0.264012 0.957908 O\n0.957907 0.735988 0.739745 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Cr",
"C",
"O"
],
"chemical_system": "C-Cr-Li-O",
"density": 3.2717183388395457,
"density_atomic": 0.11009895996351017,
"volume": 90.82737932596525,
"volume_molar": 5.469752631628767,
"formula_full": "Li1 Cr1 C2 O6",
"formula_reduced": "LiCr(CO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 3.65715884,
"spacegroup": 148
},
{
"id": "jvasp-14766",
"created_at": "2022-09-04T14:38:07.799122Z",
"updated_at": "2022-09-04T14:38:07.799139Z",
"structure_string": "Ca2 Ag2\n1.0\n3.796300 -0.000000 -1.344627\n-0.000000 4.660555 0.000000\n-0.023404 -0.000000 5.965307\nCa Ag\n2 2\ndirect\n0.859524 0.250000 0.719046 Ca\n0.140477 0.749999 0.280954 Ca\n0.577919 0.250000 0.155837 Ag\n0.422082 0.749999 0.844164 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Ag"
],
"chemical_system": "Ag-Ca",
"density": 4.661824004272796,
"density_atomic": 0.03795185055348423,
"volume": 105.39670507931986,
"volume_molar": 15.867844840696778,
"formula_full": "Ca2 Ag2",
"formula_reduced": "CaAg",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-108806",
"created_at": "2022-09-04T14:38:07.793946Z",
"updated_at": "2022-09-04T14:38:07.793957Z",
"structure_string": "Ba2 In1 Bi1 O6\n1.0\n5.247460 -0.000000 3.029623\n1.749153 4.947353 3.029623\n-0.000000 -0.000000 6.059245\nBa In Bi O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Bi\n0.251325 0.251325 0.748675 O\n0.748674 0.748674 0.251325 O\n0.748674 0.251325 0.748675 O\n0.251325 0.748674 0.251326 O\n0.748674 0.251325 0.251325 O\n0.251325 0.748674 0.748675 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"In",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-In-O",
"density": 7.330756268510193,
"density_atomic": 0.0635710597260402,
"volume": 157.3042834757679,
"volume_molar": 9.473085372420163,
"formula_full": "Ba2 In1 Bi1 O6",
"formula_reduced": "Ba2InBiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.5135797209999995,
"spacegroup": 225
},
{
"id": "jvasp-37112",
"created_at": "2022-09-04T14:38:07.793763Z",
"updated_at": "2022-09-04T14:38:07.793789Z",
"structure_string": "Re2 N2\n1.0\n1.400979 -2.426566 0.000000\n1.400979 2.426566 0.000000\n0.000000 0.000000 5.926536\nRe N\n2 2\ndirect\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.333333 0.666668 0.250000 N\n0.666668 0.333333 0.750001 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Re",
"N"
],
"chemical_system": "N-Re",
"density": 16.501302606399168,
"density_atomic": 0.09926710015691426,
"volume": 40.29532436907182,
"volume_molar": 6.0666028830102166,
"formula_full": "Re2 N2",
"formula_reduced": "ReN",
"formula_anonymous": "AB",
"energy_above_hull": 4.177035625,
"spacegroup": 194
}
]
}