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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=640",
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"results": [
{
"id": "jvasp-45891",
"created_at": "2022-09-04T14:38:07.882152Z",
"updated_at": "2022-09-04T14:38:07.882177Z",
"structure_string": "Li3 Fe2 Si2 O8\n1.0\n5.003691 0.012395 0.013947\n-0.047986 5.313935 -0.003771\n0.007367 -0.064235 6.377099\nLi Fe Si O\n3 2 2 8\ndirect\n0.501893 0.176681 0.002317 Li\n0.005479 0.821332 0.501477 Li\n0.998777 0.342552 0.754176 Li\n0.005985 0.829645 0.017207 Fe\n0.501497 0.167351 0.500351 Fe\n0.009980 0.325715 0.252745 Si\n0.503419 0.678181 0.754769 Si\n0.894396 0.185685 0.035140 O\n0.333787 0.279253 0.253255 O\n0.934405 0.624263 0.254129 O\n0.891549 0.188932 0.469407 O\n0.394199 0.827575 0.547872 O\n0.836149 0.684905 0.761863 O\n0.400654 0.379838 0.746472 O\n0.385758 0.827647 0.961501 O\n",
"nsites": 15,
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"volume_molar": 6.807612763344519,
"formula_full": "Li3 Fe2 Si2 O8",
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{
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"created_at": "2022-09-04T14:38:00.856572Z",
"updated_at": "2022-09-04T14:38:00.856603Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n4.966677 0.000000 0.000000\n0.000000 6.057352 0.000000\n0.000000 0.000000 11.024893\nLi Fe Si O\n4 4 4 16\ndirect\n0.755735 0.991102 0.167958 Li\n0.255734 0.491102 0.332042 Li\n0.755735 0.508897 0.667958 Li\n0.255734 0.008898 0.832042 Li\n0.255822 0.740829 0.082699 Fe\n0.755822 0.240830 0.417301 Fe\n0.255822 0.759170 0.582699 Fe\n0.755822 0.259170 0.917301 Fe\n0.751305 0.757666 0.913733 Si\n0.251304 0.257666 0.586266 Si\n0.751305 0.742333 0.413733 Si\n0.251304 0.242334 0.086266 Si\n0.832696 0.531787 0.838931 O\n0.858774 0.984406 0.845369 O\n0.358773 0.484406 0.654630 O\n0.332696 0.031787 0.661068 O\n0.920611 0.269797 0.571102 O\n0.882702 0.745962 0.552181 O\n0.382702 0.254038 0.447818 O\n0.920611 0.230202 0.071102 O\n0.832696 0.968212 0.338931 O\n0.858774 0.515594 0.345370 O\n0.358773 0.015594 0.154630 O\n0.332696 0.468213 0.161069 O\n0.420611 0.769797 0.928897 O\n0.882702 0.754037 0.052182 O\n0.420611 0.730202 0.428898 O\n0.382702 0.245962 0.947818 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 3.1013497870302205,
"density_atomic": 0.08441797284908616,
"volume": 331.6829231383647,
"volume_molar": 7.133718752955333,
"formula_full": "Li4 Fe4 Si4 O16",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.442672585714286,
"spacegroup": 33
},
{
"id": "jvasp-25774",
"created_at": "2022-09-04T14:38:00.533580Z",
"updated_at": "2022-09-04T14:38:00.533607Z",
"structure_string": "Li8 Ga6 Si6 Br2 O24\n1.0\n8.595617 0.000000 0.000000\n-0.000000 8.595617 -0.000000\n-0.000000 0.000000 8.595617\nLi Ga Si Br O\n8 6 6 2 24\ndirect\n0.323225 0.323225 0.676775 Li\n0.176775 0.823226 0.823226 Li\n0.323225 0.676775 0.323225 Li\n0.823226 0.176775 0.823226 Li\n0.176775 0.176775 0.176775 Li\n0.676775 0.676775 0.676775 Li\n0.676775 0.323225 0.323225 Li\n0.823226 0.823226 0.176775 Li\n0.750000 0.500000 0.000000 Ga\n0.000000 0.250000 0.500000 Ga\n0.500000 0.000000 0.250000 Ga\n0.000000 0.750000 0.500000 Ga\n0.250000 0.500000 0.000000 Ga\n0.500000 0.000000 0.750000 Ga\n0.750000 0.000000 0.500000 Si\n0.250000 0.000000 0.500000 Si\n0.000000 0.500000 0.750000 Si\n0.500000 0.250000 0.000000 Si\n0.500000 0.750000 0.000000 Si\n0.000000 0.500000 0.250000 Si\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.500000 Br\n0.645955 0.900474 0.626538 O\n0.626538 0.354045 0.099526 O\n0.873462 0.400474 0.854046 O\n0.099526 0.626538 0.354045 O\n0.354045 0.099526 0.626538 O\n0.126538 0.400474 0.145955 O\n0.626538 0.645955 0.900474 O\n0.126538 0.599526 0.854046 O\n0.373462 0.645955 0.099526 O\n0.145955 0.873462 0.599526 O\n0.873462 0.599526 0.145955 O\n0.900474 0.626538 0.645955 O\n0.145955 0.126538 0.400474 O\n0.599526 0.854046 0.126538 O\n0.354045 0.900474 0.373462 O\n0.373462 0.354045 0.900474 O\n0.645955 0.099526 0.373462 O\n0.400474 0.145955 0.126538 O\n0.854046 0.873462 0.400474 O\n0.099526 0.373462 0.645955 O\n0.400474 0.854046 0.873462 O\n0.900474 0.373462 0.354045 O\n0.599526 0.145955 0.873462 O\n0.854046 0.126538 0.599526 O\n",
"nsites": 46,
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"elements": [
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],
"chemical_system": "Br-Ga-Li-O-Si",
"density": 3.10145737564031,
"density_atomic": 0.07243136392209956,
"volume": 635.083995511576,
"volume_molar": 8.314272207378085,
"formula_full": "Li8 Ga6 Si6 Br2 O24",
"formula_reduced": "Li4Ga3Si3BrO12",
"formula_anonymous": "AB3C3D4E12",
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"spacegroup": 218
},
{
"id": "jvasp-22527",
"created_at": "2022-09-04T14:37:18.728899Z",
"updated_at": "2022-09-04T14:37:18.728925Z",
"structure_string": "Sr1 Cl2\n1.0\n4.271915 0.000000 2.466390\n1.423972 4.027599 2.466390\n0.000000 0.000000 4.932782\nSr Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.749999 0.750000 0.750000 Cl\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 3,
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"elements": [
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],
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"density": 3.1016218619655764,
"density_atomic": 0.035347646651347125,
"volume": 84.87127953921842,
"volume_molar": 17.03689306221604,
"formula_full": "Sr1 Cl2",
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"formula_anonymous": "AB2",
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"spacegroup": 225
},
{
"id": "jvasp-23888",
"created_at": "2022-09-04T14:37:43.745947Z",
"updated_at": "2022-09-04T14:37:43.745973Z",
"structure_string": "Sr1 Cl2\n1.0\n4.271915 0.000000 2.466390\n1.423972 4.027599 2.466390\n0.000000 0.000000 4.932782\nSr Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.749999 0.750000 0.750000 Cl\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Cl-Sr",
"density": 3.1016218619655764,
"density_atomic": 0.035347646651347125,
"volume": 84.87127953921842,
"volume_molar": 17.03689306221604,
"formula_full": "Sr1 Cl2",
"formula_reduced": "SrCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-21054",
"created_at": "2022-09-04T14:38:32.126386Z",
"updated_at": "2022-09-04T14:38:32.126430Z",
"structure_string": "Mg2 P2 O7\n1.0\n4.486866 0.006695 -0.662617\n-0.969431 5.031187 -1.274406\n0.006023 -0.015887 5.279816\nMg P O\n2 2 7\ndirect\n0.500000 0.688059 0.311940 Mg\n0.500000 0.311940 0.688059 Mg\n0.093320 0.779869 0.779869 P\n0.906680 0.220130 0.220130 P\n0.279519 0.926130 0.620806 O\n0.720481 0.379193 0.073869 O\n0.720481 0.073869 0.379193 O\n0.279519 0.620806 0.926130 O\n0.000000 0.000000 0.000000 O\n0.786625 0.618566 0.618566 O\n0.213375 0.381433 0.381433 O\n",
"nsites": 11,
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"elements": [
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],
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"density": 3.1018531003301937,
"density_atomic": 0.0923274261804995,
"volume": 119.14119623019789,
"volume_molar": 6.522591400118483,
"formula_full": "Mg2 P2 O7",
"formula_reduced": "Mg2P2O7",
"formula_anonymous": "A2B2C7",
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"spacegroup": 12
},
{
"id": "jvasp-103556",
"created_at": "2022-09-04T14:36:38.838248Z",
"updated_at": "2022-09-04T14:36:38.838276Z",
"structure_string": "Na2 Sc1 Cu1 F6\n1.0\n5.091839 -0.000000 2.939775\n1.697280 4.800632 2.939775\n-0.000000 -0.000000 5.879549\nNa Sc Cu F\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.499999 Cu\n0.758617 0.241383 0.241382 F\n0.241383 0.241383 0.758617 F\n0.241383 0.758617 0.758616 F\n0.241383 0.758617 0.241382 F\n0.758617 0.241383 0.758616 F\n0.758617 0.758617 0.241382 F\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.101921421076112,
"density_atomic": 0.06957975689346597,
"volume": 143.719961760014,
"volume_molar": 8.655018397406216,
"formula_full": "Na2 Sc1 Cu1 F6",
"formula_reduced": "Na2ScCuF6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-9512",
"created_at": "2022-09-04T14:37:10.662387Z",
"updated_at": "2022-09-04T14:37:10.662420Z",
"structure_string": "Cr2 Si2 O10\n1.0\n5.036376 0.218231 0.191980\n-0.495311 5.003156 -0.083736\n-1.692296 -2.324915 6.737119\nCr Si O\n2 2 10\ndirect\n0.498762 0.949752 0.464119 Cr\n0.933945 0.501597 0.979035 Cr\n0.059383 0.891095 0.745834 Si\n0.969903 0.160082 0.284850 Si\n0.119732 0.200532 0.922035 O\n0.733736 0.824938 0.634157 O\n0.878176 0.855889 0.104391 O\n0.296547 0.205859 0.394037 O\n0.793631 0.158191 0.449632 O\n0.898381 0.418679 0.199905 O\n0.238166 0.872251 0.581708 O\n0.139826 0.649234 0.848413 O\n0.431702 0.695229 0.263936 O\n0.649771 0.382720 0.825723 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Cr-O-Si",
"density": 3.1019728182189157,
"density_atomic": 0.08168713285863728,
"volume": 171.38562108952382,
"volume_molar": 7.372202388865264,
"formula_full": "Cr2 Si2 O10",
"formula_reduced": "CrSiO5",
"formula_anonymous": "ABC5",
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"spacegroup": 1
},
{
"id": "jvasp-115845",
"created_at": "2022-09-04T14:38:39.580682Z",
"updated_at": "2022-09-04T14:38:39.580698Z",
"structure_string": "Cd1 P1 S4\n1.0\n-2.845443 2.845443 4.489913\n2.845443 -2.845443 4.489913\n2.845443 2.845443 -4.489913\nCd P S\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.749999 0.250000 0.500000 P\n0.806659 0.374606 0.926598 S\n0.448008 0.880060 0.073402 S\n0.625393 0.551991 0.432052 S\n0.119939 0.193341 0.567947 S\n",
"nsites": 6,
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"elements": [
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],
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"density": 3.1020781518517717,
"density_atomic": 0.04126231144209105,
"volume": 145.41114615987055,
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"formula_full": "Cd1 P1 S4",
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"spacegroup": 82
},
{
"id": "jvasp-79171",
"created_at": "2022-09-04T14:37:52.085972Z",
"updated_at": "2022-09-04T14:37:52.085981Z",
"structure_string": "Mg3 Co1\n1.0\n5.943588 0.035950 0.000000\n-1.470330 2.546686 0.000000\n0.000000 0.000000 4.646495\nMg Co\n3 1\ndirect\n0.661370 0.661370 0.250000 Mg\n0.324034 0.324034 0.750001 Mg\n0.859024 0.359024 0.750001 Mg\n0.155573 0.655574 0.250000 Co\n",
"nsites": 4,
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"formula_full": "Mg3 Co1",
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"spacegroup": 25
},
{
"id": "jvasp-45881",
"created_at": "2022-09-04T14:38:02.323674Z",
"updated_at": "2022-09-04T14:38:02.323691Z",
"structure_string": "Li2 V2 C4 O12\n1.0\n0.000000 6.057817 0.016579\n4.551297 0.000000 0.000000\n0.000000 -1.483342 -6.911755\nLi V C O\n2 2 4 12\ndirect\n0.175810 0.708283 0.566573 Li\n0.824191 0.208282 0.433426 Li\n0.729909 0.235646 0.907793 V\n0.270092 0.735646 0.092207 V\n0.226834 0.216273 0.875730 C\n0.732196 0.737550 0.631360 C\n0.267805 0.237550 0.368639 C\n0.773166 0.716273 0.124269 C\n0.590248 0.562255 0.110499 O\n0.365763 0.078273 0.259526 O\n0.284831 0.524887 0.352782 O\n0.159629 0.129860 0.487916 O\n0.840371 0.629860 0.512083 O\n0.208518 0.488137 0.835075 O\n0.634237 0.578273 0.740473 O\n0.409752 0.062254 0.889500 O\n0.791482 0.988138 0.164924 O\n0.061962 0.065839 0.922700 O\n0.715170 0.024887 0.647217 O\n0.938039 0.565839 0.077299 O\n",
"nsites": 20,
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"elements": [
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"C",
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],
"chemical_system": "C-Li-O-V",
"density": 3.102210535986046,
"density_atomic": 0.10501358638135573,
"volume": 190.4515471680989,
"volume_molar": 5.734630125030354,
"formula_full": "Li2 V2 C4 O12",
"formula_reduced": "LiV(CO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 3.60790452,
"spacegroup": 4
},
{
"id": "jvasp-40428",
"created_at": "2022-09-04T14:37:51.779724Z",
"updated_at": "2022-09-04T14:37:51.779744Z",
"structure_string": "K2 Y2 Ge2 S8\n1.0\n0.000000 6.499046 0.025878\n6.665244 0.000000 0.000000\n0.000000 -2.606828 -8.138748\nK Y Ge S\n2 2 2 8\ndirect\n0.738879 0.994307 0.937329 K\n0.261121 0.494307 0.062671 K\n0.229938 0.508081 0.552201 Y\n0.770063 0.008082 0.447799 Y\n0.778982 0.473934 0.678388 Ge\n0.221018 0.973934 0.321612 Ge\n0.575748 0.470777 0.842224 S\n0.031791 0.233491 0.722751 S\n0.988655 0.746312 0.706217 S\n0.435616 0.906096 0.575930 S\n0.564384 0.406096 0.424070 S\n0.011345 0.246313 0.293783 S\n0.968210 0.733490 0.277249 S\n0.424252 0.970776 0.157776 S\n",
"nsites": 14,
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"elements": [
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"Ge",
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],
"chemical_system": "Ge-K-S-Y",
"density": 3.1022687673310236,
"density_atomic": 0.039761156674589605,
"volume": 352.102432898967,
"volume_molar": 15.145788663257386,
"formula_full": "K2 Y2 Ge2 S8",
"formula_reduced": "KYGeS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.4930270571428572,
"spacegroup": 4
}
]
}